id,dataset,task,source_id,UniprotID,sequence,smiles,substrate_smiles,CANO_RXN_SMILES,feature_source,log_kcat,log_km,log_kcat_over_km_derived,component,new_split
catpreddb_kcat_kcat_00306254b08a7f,catpred_iteration1_kcat,kcat,E8MF13,E8MF13,MTSTGRFTLPSEENFAEKTKELAELWGADAIRNSDGTHLDEAVLALGKKIYNAYFPTRAHNEWITLHMDETPQVYLLTDRILAESDTVDIPLMESFFAEQLKPNRDADPHKYWEVVDRTTGEVVDSANWTLDADEDTVHVSGVAAWHEYTVSFLAYIIWDPVEMYNHLTNDWGDKEHEIPFDIYHPATRKFVFDTFEQWLKDSPQTDVVRFTTFFYQFTLLFDEKRREKVVDWFGCACTVSPRALDDFEAKYGYRLRPEDFVDGGAYNSAWRVPRKAQRDWIDFLSGFVRENVKQLADMSHAAGKEAMMFLGDQWIGTEPYKDGFDELGLDAVVGSIGDGTTTRMIADIPGVKYTEGRFLPYFFPDTFYEGNDPSIEGLDNWRKARRAILRSPISRMGYGGYLSLAAKFPKFVDTVTHIANEFRDIHDRTGGVAAEGELNVAILNSWGKMRSWMAFTVAHALPNKQTYSYYGILESLSGMRVNVRFISFDDVLAHGIDSDIDVIINGGPVDTAFTGGDVWTNPKLVETVRAWVRGGGAFVGVGEPSSAPRFQTGRFFQLADVIGVDEERYQTLSVDKYFPPVVPDHFITADVPVDPAAREAWEQAGYRIPLSGCGGGQSIKPLGGIDFGEPVLNTYPVNENVTLLRADGGQVQLATNDYGKGRGVYISGLPYSAANARLLERVLFYASHNEDKYAAWSSSNPECEVAHFPEQGLYCVINNTDQPQKTTVTLADGTTEDFDLPDSGIAWREA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O.O=P(O)(O)O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O.O=P(O)(O)O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O.O=P(O)(O)O>>CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.4313637641589874,,,s_28331dccad3aff757c897b72,test
catpreddb_kcat_kcat_0030e89b804299,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,C/C=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>C/C=C(\C)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,public_strict_iteration1_fulltrue_msa,-1.6989700043360187,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_0036bbd4ca53c5,catpred_iteration1_kcat,kcat,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)c(O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)c(O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)c(O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CCCc1ccc(O)c(O)c1.[H+],public_strict_iteration1_fulltrue_msa,-0.623423042943488,,,s_08cbf502c176a7783bac2948,test
catpreddb_kcat_kcat_006cdffd23db2b,catpred_iteration1_kcat,kcat,S5TMG0,S5TMG0,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPCQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKVADP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)c(O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)c(O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)c(O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CCCc1ccc(O)c(O)c1.[H+],public_strict_iteration1_fulltrue_msa,-0.8794260687941501,,,s_08cbf502c176a7783bac2948,test
catpreddb_kcat_kcat_00a6370c84c16f,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H](O)[C@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_00dabf89c0d5c5,catpred_iteration1_kcat,kcat,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12>>,public_strict_iteration1_fulltrue_msa,2.7558748556724915,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_0124032fd23822,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.380211241711606,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_013829e2d4bb1d,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O>>Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.7634279935629371,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_0142f3f185fce2,catpred_iteration1_kcat,kcat,A0A0N9LF81,A0A0N9LF81,MKLVCSVLFVLLILPMCRSSPLQDTCRSFAAGHPSIGYDYCIRIFQADKSSAEATDARGLAAIAARIAEAKANATAARIASMSALERDARRRDRLSVCAEVYSDAVDQLDQAEEELAHGAKGGGGGIDDAVTQLSAALDAPETCEDAFGEADDTSPLAAEDTEFKNLATVALAIAASLAPPPSMPS,O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O>>OCC1OC(O)(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.3222192947339193,,,s_cf8f0b9035eaead8273c1cd8,test
catpreddb_kcat_kcat_01549a5c917476,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.OCC1OC(O)C(O)C(O)C1O,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.OCC1OC(O)C(O)C(O)C1O,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.OCC1OC(O)C(O)C(O)C1O>>O=P(O)(O)OCC1OC(O)C(O)C(O)C1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,0.4800069429571506,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_01634b4ff8d7bf,catpred_iteration1_kcat,kcat,P24670,P24670,MKTVTVKNLIIGEGMPKIIVSLMGRDINSVKAEALAYREATFDILEWRVDHFMDIASTQSVLTAARVIRDAMPDIPLLFTFRSAKEGGEQTITTQHYLTLNRAAIDSGLVDMIDLELFTGDADVKATVDYAHAHNVYVVMSNHDFHQTPSAEEMVLRLRKMQALGADIPKIAVMPQSKHDVLTLLTATLEMQQHYADRPVITMSMAKEGVISRLAGEVFGSAATFGAVKQASAPGQIAVNDLRSVLMILHNA,O=C1CC(O)(C(=O)O)CC(O)C1O,O=C1CC(O)(C(=O)O)CC(O)C1O,O=C1CC(O)(C(=O)O)CC(O)C1O>>O.O=C(O)C1=CC(=O)C(O)C(O)C1,public_strict_iteration1_fulltrue_msa,2.3010299956639813,-1.744727494896694,,s_6e2f32d064d86ca5896055ca,test
catpreddb_kcat_kcat_0168569681aa6e,catpred_iteration1_kcat,kcat,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,N[C@@H](CCS)C(=O)O.N[C@@H](CO)C(=O)O,N[C@@H](CCS)C(=O)O.N[C@@H](CO)C(=O)O,N[C@@H](CCS)C(=O)O.N[C@@H](CO)C(=O)O>>NC(CSCC[C@H](N)C(=O)O)C(=O)O.O,public_strict_iteration1_fulltrue_msa,1.1464381352857749,,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_kcat_kcat_0174473af8e80c,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.0861861476162833,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_01e6129725cf7b,catpred_iteration1_kcat,kcat,Q6UWY2,Q6UWY2,MGLGLRGWGRPLLTVATALMLPVKPPAGSWGAQIIGGHEVTPHSRPYMASVRFGGQHHCGGFLLRARWVVSAAHCFSHRDLRTGLVVLGAHVLSTAEPTQQVFGIDALTTHPDYHPMTHANDICLLRLNGSAVLGPAVGLLRPPGRRARPPTAGTRCRVAGWGFVSDFEELPPGLMEAKVRVLDPDVCNSSWKGHLTLTMLCTRSGDSHRRGFCSADSGGPLVCRNRAHGLVSFSGLWCGDPKTPDVYTQVSAFVAWIWDVVRRSSPQPGPLPGTTRPPGEAA,O,O,O>>,public_strict_iteration1_fulltrue_msa,0.0,,,s_33dc904f88c9ce9a62925da7,test
catpreddb_kcat_kcat_01ee762686e1de,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.431363764158988,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_01ef321d4aeb5a,catpred_iteration1_kcat,kcat,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O,O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O,O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O>>O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,4.568436414416885,,,s_c914da2418e4f7c204592eba,test
catpreddb_kcat_kcat_020d6a12121bc2,catpred_iteration1_kcat,kcat,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.934498451243568,,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_kcat_kcat_02330405bdf8b0,catpred_iteration1_kcat,kcat,A3DIL8,A3DIL8,MKIGIGSDHGGYNLKREIADFLKKRGYEVIDFGTHGNESVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIEKKYSK,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO>>OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,3.3705130895985924,,,s_d2c419c37b482c8db7d90c38,test
catpreddb_kcat_kcat_0242f5a59a0bde,catpred_iteration1_kcat,kcat,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,0.7075701760979364,,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_kcat_kcat_027f00c77bced0,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,-1.6020599913279625,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_02b71e937fa99f,catpred_iteration1_kcat,kcat,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O>>CC(=O)C(=O)O.N.Oc1ccccc1,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_02c8f870be11bf,catpred_iteration1_kcat,kcat,C5AQP6,C5AQP6,MVLTRFPRVALTDGPTPIRSLDRLSTHLGPELNGVRLFVKRDDIGPVGLGGNKLRKLEFLLGQALAERADTVITVGALQSNHARLTAASAARMGLACELFLTRSVPREDADYTANGNRLLQDLFGAHVHLLPGEADSLAQAEARAEELRAEGRRVHVFPSGGSSPLGCLGYAACAAEILEQAANLGLAFARIVVPNGSSGTHAGLAAGLAAAGRDPHLAQSYTVLAPEPEAAAATLARARDTLALIDGSQTLADDAILVDGAHRGPGYGIPTEGMREAVRLMARTEGLLLDPVYSGKAFAGLLHDVRAGRYERGAAVLFVMTGGVPGLFAYRSEF,N[C@H](CS)C(=O)O.O,N[C@H](CS)C(=O)O.O,N[C@H](CS)C(=O)O.O>>CC(=O)C(=O)O.N.[S-2],public_strict_iteration1_fulltrue_msa,0.7160033436347992,,,s_bc0e7b5fe0c35dc705bfdeb9,test
catpreddb_kcat_kcat_02f88999602511,catpred_iteration1_kcat,kcat,Q39761,Q39761,MASQVSQMPSSSPLSSNKDEMRPKADFQPSIWGDLFLNCPDKNIDAETEKRHQQLKEEVRKMIVAPMANSTQKLAFIDSVQRLGVSYHFTKEIEDELENIYHNNNDAENDLYTTSIRFRLLREHGYNVSCDVFNKFKDEQGNFKSSVTSDVRGLLELYQASYLRVHGEDILDEAISFTTHHLSLAVASLDHPLSEEVSHALKQSIRRGLPRVEARHYLSVYQDIESHNKALLEFAKIDFNMLQFLHRKELSEICRWWKDLDFQRKLPYARDRVVEGYFWISGVYFEPQYSLGRKMLTKVIAMASIVDDTYDSYATYEELIPYTNAIERWDIKCIDEIPEYMKPSYKALLDVYEEMVQLVAEHGRQYRVEYAKNAMIRLAQSYLVEAKWTLQNYKPSFEEFKANALPTCGYAMLAITSFVGMGDIVTPETFKWAASDPKIIQASTIICRFMDDVAEHKFKHRREDDCSAIECYMEEYGVTAQEAYDVFNKHVESAWKDLNQEFLKPTEMPTEVLNRSLNLARVMDVLYREGDGYTYVGKAAKGGITSLLIEPIAL,CC(C)=CCC/C(C)=C\CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C\CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C\CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-2.0,-2.494850021680094,,s_219acb068abb1da864bac43f,test
catpreddb_kcat_kcat_03283646463cf6,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.494850021680094,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_0333769ca59691,catpred_iteration1_kcat,kcat,P56937,P56937,MRKVVLITGASSGIGLALCKRLLAEDDELHLCLACRNMSKAEAVCAALLASHPTAEVTIVQVDVSNLQSVFRASKELKQRFQRLDCIYLNAGIMPNPQLNIKALFFGLFSRKVIHMFSTAEGLLTQGDKITADGLQEVFETNVFGHFILIRELEPLLCHSDNPSQLIWTSSRSARKSNFSLEDFQHSKGKEPYSSSKYATDLLSVALNRNFNQQGLYSNVACPGTALTNLTYGILPPFIWTLLMPAILLLRFFANAFTLTPYNGTEALVWLFHQKPESLNPLIKYLSATTGFGRNYIMTQKMDLDEDTAEKFYQKLLELEKHIRVTIQKTDNQARLSGSCL,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-2.2006594505464183,,,s_20d8b766c0a6b2c809342f00,test
catpreddb_kcat_kcat_033fe20b913208,catpred_iteration1_kcat,kcat,Q6WNR0,Q6WNR0,MGILSYLCYSLFYLSIFFIIRLLFQSRKFKNLPPGPTSLPIIGNLHHLKRPLNRTFKALTEKYGNVISLWFGSRLVVVVSSLSEFQECFTKNDVVLANRPRFLSGKYIFYNYTTLGSTSYGEHWRNLRRITSLDVLSNHRINNFAPIRRDETQRLIKKLAEDSSTKFAEVELTFRFFDMTFNNIMRMISGKRYYGDDCDISEVQEASQFRDMVSELLQLSGANNKTDFMPLLKFLDFENLEKRVKRIGEKNDVFLSGLLQEQRSKKERTNTMIDHLLNMQESQPEYYTDTIIKGLCLAMLLAGTDSSAVTLEWTMSNILNYPEVLKKVRDEVDTHVGQDRLVDESDLPKLTYLRNVIYETLRLYTPAPLLLPHSTADECIMGGYKVPRDTIVLINAWAIHRDPETWSEATTFKPERFDKKGELEKMIAFGMGRRACPGEGLALRAISMTLALLVQCFDWKRINDEKIDMSERDGFTMTKLLPLKAMCKTRPVVNKVFK,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,-1.8239087409443189,,,s_bacc29394cd254b63d714887,test
catpreddb_kcat_kcat_03418c276885f1,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1.O,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1.O,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1.O>>N#CC(O)c1ccc(O)cc1.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.2218487496163564,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_03423ac59870ae,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>OC1OC[C@@H](O)[C@H](O)[C@H]1O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.4436974992327127,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_0343ebe3aa73b0,catpred_iteration1_kcat,kcat,Q08AC1,Q08AC1,MTTRLLAYLQLGIALYHSGVRAQATLNPTDTMIISNAQVSPDGFARSAVVVNGVHPGPLLTGQKDDTFAINVVNELNDPTMLRSTSVHWHGLFQKGTNWADGAEGVNQCPISPASPENTENAFEYRFTPAGHAGTFWYHSHFGTQYCDGLRGPMVVYDPQDPYLGDYDVDNASTVITLADWFHTPAPSLRAPFRPDATLINGIGRTPGGEQVDLAVVNVEAGKKYRFRVVSLACDVNFQFSIDGHKLTIIEADGQLTDRLEVDRIQIFTGQRYSVILNANQEPGNYRIRAIPNAGVPGLVGTVDEGVNSAILRYAGAPIEEPSSDPPANPVDLREWELHAFSGPGFDPSAPGTPEIGAADVVLPLQFTFVGGKFQVNGVAYESPDVPTLLQIMSGRNPGELMPEGSVHYLPRNQVVEVQIPSGSISNSGPHPFHLHGHAFSVVRSAGNSTPNFVNPVKRDVVSIGGASDSVTIRFVTDNPGPWFFHCHIEPHLVDGLAIVFAEAMEDTVQANPLPEDREYCSVLHAFSGNLC,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O,public_strict_iteration1_fulltrue_msa,1.505556938663822,,,s_5d1f7d80eb4f0e46dc133185,test
catpreddb_kcat_kcat_03b289208fa923,catpred_iteration1_kcat,kcat,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.8573324964312685,,,s_27531fb3688217415c49ec38,test
catpreddb_kcat_kcat_03d99becc28d32,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,OCC(O)CCl,OCC(O)CCl,OCC(O)CCl>>Cl.OCC1CO1,public_strict_iteration1_fulltrue_msa,0.568201724066995,0.3424226808222063,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_03f17f1f19c045,catpred_iteration1_kcat,kcat,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,NC(CCS)C(=O)O.N[C@@H](CS)C(=O)O,NC(CCS)C(=O)O.N[C@@H](CS)C(=O)O,NC(CCS)C(=O)O.N[C@@H](CS)C(=O)O>>NC(CSCC[C@H](N)C(=O)O)C(=O)O.S,public_strict_iteration1_fulltrue_msa,1.4960989921325714,,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_kcat_kcat_041da81c9ba63c,catpred_iteration1_kcat,kcat,O66496,O66496,MEKFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLTERGTTFGYNNLVVDFRSLPIMKQWAKVIYDATHSVQLPGGLGDKSGGMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEIREVASKYYETIPVK,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(O)C(=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.3187587626244128,,,s_68966220519be49725459e6c,test
catpreddb_kcat_kcat_042b24f368c45b,catpred_iteration1_kcat,kcat,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.0177287669604316,,,s_b7052409576ea9e57f9adba3,test
catpreddb_kcat_kcat_0464001d98c6d4,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,N=c1nc([O-])c2c([nH]1)NCC(COP(=O)(O)OP(=O)([O-])O)=N2.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.[Mg+2],N=c1nc([O-])c2c([nH]1)NCC(COP(=O)(O)OP(=O)([O-])O)=N2.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.[Mg+2],N=c1nc([O-])c2c([nH]1)NCC(COP(=O)(O)OP(=O)([O-])O)=N2.Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.[Mg+2]>>O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.238072161579471,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_046858a9b252d6,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC(=O)CC(O)=NC1CCOC1=O.O,CCCCCCCC(=O)CC(O)=NC1CCOC1=O.O,CCCCCCCC(=O)CC(O)=NC1CCOC1=O.O>>CCCCCCCC(=O)CC(O)=NC(CCO)C(=O)O,public_strict_iteration1_fulltrue_msa,1.0273496077747566,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_0468ba6cfbfe22,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccc([N+](=O)[O-])c1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccc([N+](=O)[O-])c1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccc([N+](=O)[O-])c1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])c1cccc(CO)c1,public_strict_iteration1_fulltrue_msa,2.100370545117563,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_047cc24b560563,catpred_iteration1_kcat,kcat,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO.O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO.O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO.O>>CCCCCC=CCC=CCCCCCCCC(=O)O.NCCO,public_strict_iteration1_fulltrue_msa,-0.585026652029182,,,s_d02e45ef02098b997a7f78aa,test
catpreddb_kcat_kcat_047edab3e0d51b,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1Nc2ccccc2C1=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1Nc2ccccc2C1=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1Nc2ccccc2C1=O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.[H],public_strict_iteration1_fulltrue_msa,5.948412965778601,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_0484320bf69a21,catpred_iteration1_kcat,kcat,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,CCCCCCCCCCCCCCCC(O)C(N)CO.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CCCCCCCCCCCCCCCC(O)C(N)CO.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CCCCCCCCCCCCCCCC(O)C(N)CO.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CCCCCCCCCCCCCCCC(O)C(N)COP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.880813592280792,,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_kcat_kcat_048d808a968104,catpred_iteration1_kcat,kcat,Q93R40,Q93R40,MSNYQSAIEAVKAIKEKAGNSWDAINPESVARMRAQNKFKTGLDIAQYTADIMRADMAAFDADKTKYTQSLGCWHGFIGQQKMISIKKHFDGKTDRRYLYLSGWMVAALRSEFGPLPDQSMHEKTSVASLVAELYTFLRQADARELGGLFRDLDAASDGDKAAIQDKIDNHVTHVVPIIADIDAGFGNAEATYIMAKQMIEAGACALQIENQVADEKQCGHQDGKVTVPHADFHSKIRALRHAFLELGIDNGIIVSRTDSEGAGLTKEIAVVKEPGDQGDIYNSFLDVEEIDVSDMAEGDVCFNRDGKLVRPKRLPSGLYQFRQGTGEERCVFDSIEAIKAGADLLWIETATPNVADITAMMNEVRKEIPDAKLVYNNSPSFNWTLNFRQQAFDTMVAEGKDVSSYVRADLMNVDYDTTELAAAADDKIRSFQADTAREAGIFHHLITLPTYHTAALSTDNLAKEYFGDAGMLGYVEGVQRKEIRQGIACVKHQNMSGSDMGDDHKEYFAGENALKAGGANNTSNQFS,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O>>O=C(O)CCC(=O)O.O=CC(=O)O,public_strict_iteration1_fulltrue_msa,1.2576785748691846,-0.3241707246689403,,s_27d2ff7889c7da4218533f4f,test
catpreddb_kcat_kcat_048df04b4e8e09,catpred_iteration1_kcat,kcat,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccccc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccccc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccccc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,2.1760912590556813,,,s_948648651b98b58a650dd2ca,test
catpreddb_kcat_kcat_04aa2e976577d2,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>NCCCC[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.0530784434834195,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_04e61152525d9f,catpred_iteration1_kcat,kcat,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CO,public_strict_iteration1_fulltrue_msa,1.2787536009528289,,,s_948648651b98b58a650dd2ca,test
catpreddb_kcat_kcat_04e664a6d3a33f,catpred_iteration1_kcat,kcat,Q9C7W7,Q9C7W7,MVGNILVTGGAGYIGSHTVLQLLLGGYNTVVIDNLDNSSLVSIQRVKDLAGDHGQNLTVHQVDLRDKPALEKVFSETKFDAVMHFAGLKAVGESVAKPLLYYNNNLIATITLLEVMAAHGCKKLVFSSSATVYGWPKEVPCTEESPLSGMSPYGRTKLFIEDICRDVQRGDPEWRIIMLRYFNPVGAHPSGRIGEDPCGTPNNLMPYVQQVVVGRLPNLKIYGTDYTTKDGTGVRDYIHVVDLADGHICALQKLDDTEIGCEVYNLGTGKGTTVLEMVDAFEKASGMKIPLVKVGRRPGDAETVYASTEKAERELNWKANFGIEEMCRDQWNWASNNPFGYGSSPNST,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.3010299956639813,-1.2441251443275083,,s_49464158cb91bbf7812b299a,test
catpreddb_kcat_kcat_04ea6b4bb98a64,catpred_iteration1_kcat,kcat,Q8I6T2,Q8I6T2,MGKHIRILKNQYLQFMSKRCIQSKAAFNICGKINVENPIVELDGDEMTRIIWKDIKEKLILPYVNLKIKYFDLSIENRDKTNDQVTIEAAEEIKKTSVGIKCATITPDAARVKEFNLKEMWKSPNGTIRNILDGTVFRTPILIKNIPKLVPNWKKPIVIGRHAYADQYKQKSLKIEKSGKFEIVFTPDDNSQVLRETVFHFKSPGVCLGMYNTEESIRNFALSCFQYALDLKMPVYMSTKSTILKIYDGLFKDIFDEIYEKQFKKSFEQHNLWYEHKLIDDMVAQVLKSEGGFLWACKNYDGDIQSDAVAQGYGSLGLMSSVLLCPDGVTCVSEAAHGTVTRHYRAYQKGEKTSTNPIASIFAWTKGLEHRAKLDKNDNLKQFCYALEKACIETVEDGLMSKDLAGCIKGIKNVTEKDYIFTQDLINAINEKLKLKILQNQSKNDPQATSYKLKNDNWNFYAPQEHST,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.O=C=O.[H],public_strict_iteration1_fulltrue_msa,2.1398790864012365,,,s_b3ad33c11b0f353dcc833904,test
catpreddb_kcat_kcat_050992be3ed338,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.8239087409443188,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_0515476153e182,catpred_iteration1_kcat,kcat,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.0899051114393979,,,s_006f723d5d8d505a1b6694d0,test
catpreddb_kcat_kcat_05432a75cb1dac,catpred_iteration1_kcat,kcat,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@@H]2OC(CO)C(O)C2O)c(=O)nc1S.O=P(O)(O)O,Cc1cn([C@@H]2OC(CO)C(O)C2O)c(=O)nc1S.O=P(O)(O)O,Cc1cn([C@@H]2OC(CO)C(O)C2O)c(=O)nc1S.O=P(O)(O)O>>Cc1cnc(O)nc1S.O=P(O)(O)OC1C[C@H](O)[C@@H](CO)O1,public_strict_iteration1_fulltrue_msa,1.7993405494535817,,,s_3be5357697ef18007ae0960b,test
catpreddb_kcat_kcat_056b58a19da794,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.4313637641589873,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_057d5136404072,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,O=C(O)C=CC=CC(=O)O,O=C(O)C=CC=CC(=O)O,O=C(O)C=CC=CC(=O)O>>O=C(O)CC1C=CC(=O)O1,public_strict_iteration1_fulltrue_msa,5.346352974450639,-0.8860566476931633,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_06031ffd70248d,catpred_iteration1_kcat,kcat,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N[C@H](CC(=O)O)C(=O)O.O.O=O,N[C@H](CC(=O)O)C(=O)O.O.O=O,N[C@H](CC(=O)O)C(=O)O.O.O=O>>N.O=C(O)CC(=O)C(=O)O.OO,public_strict_iteration1_fulltrue_msa,-0.1396619934290063,,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_kcat_kcat_060693d7ea7dac,catpred_iteration1_kcat,kcat,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc2cc(O)ccc2cc1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc2cc(O)ccc2cc1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc2cc(O)ccc2cc1O>>COc1ccc2cc(O)c(C(=O)O)cc2c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-3.397940008672037,,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_kcat_kcat_060e3973aaacde,catpred_iteration1_kcat,kcat,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCC[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.5773768919170146,,,s_9cc6c1623917d877b3099a50,test
catpreddb_kcat_kcat_061c1e97356143,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,C=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,C=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,C=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.220108088040055,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_061e11d04b3673,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,-1.4436974992327127,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_062c80b712e05e,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(C)C(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O,CC(C)C(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O,CC(C)C(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O>>,public_strict_iteration1_fulltrue_msa,1.8750612633917,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_062faf1669bc47,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCC(O)CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.0606978403536116,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_0657c2d1901172,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)CC(=O)O,public_strict_iteration1_fulltrue_msa,-1.1804560644581312,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_0673b7c7fd3db0,catpred_iteration1_kcat,kcat,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O,public_strict_iteration1_fulltrue_msa,4.674677467873199,,,s_08e94d00e198158ed1db5b76,test
catpreddb_kcat_kcat_068b51d8148d68,catpred_iteration1_kcat,kcat,A0A0D4C3L0,A0A0D4C3L0,MGYEKSGYRESDGIYDSSFPSIPTPRDIDVTTYCIFQQQYGDRVALIDAVTGAKLTYSELRSAIDSVAAGLAQSGVKQGDVVMICMPNSIHWPILLFGSLRIGAVVTTANPVGNVQEIGRQAKDSRTAYLITVPELCGKLASLNIPLVLNDMDSLGNKKQFHGAAFARFSELLKADRKKVPQVRIKEKDTATLLYSSGTTGASKGVILTHLNLVESINQRMVADPRSFQVAEEVQIYGVIIPLFHVMGMMAICMPTLRKGDQMVVFPKFDLAEMLGAVQRFRITGLALVPPILVLLSKSPLVEKYDLSSLQLIGFGAAPAGDLSGVSKRFRGVYLRQGYGMTETASSGTGVPLEDVDYANKHNSCGLLVPNMQAKVVDVLTGKPLPPGKEGELWLRGLNVMKGYLNNEKATAETLDKDGWLHTGDLAKIDERGFVYIVDRLKELIKYKGFQVAPAELESILLSHSDIMDAAVVPFPDEEAGEIPVAFVVRRPGTTLTGNSIMEFVASKVSPYKKIRRVIFVDTIPKLESGKILRKELKSKLLPSSKL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CCc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CCc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CCc1ccc(O)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCc1ccc(O)cc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.0757207139381184,,,s_a0b0bb48fa1855371fae3dab,test
catpreddb_kcat_kcat_06abd86da0955a,catpred_iteration1_kcat,kcat,O69056,O69056,MTDVTGAPADVLHTLFHSDQGGHEQVVLCQDRASGLKAVIALHSTALGPALGGTRFYPYANEAEAVADALNLARGMSYKNAMAGLEHGGGKAVIIGDPEQIKSEELLLAYGRFVASLGGRYVTACDVGTYVADMDVVARECRWTTGRSPENGGAGDSSVLTSFGVYQGMRAAAQHLWGDPTLRDRTVGIAGVGKVGHHLVEHLLAEGAHVVVTDVRKDVVRSLTERHPSVVAVADTDALIRVENLDIYAPCALGGALNDETVPVLTAKVVCGAANNQLAHPGVEKDLADRGILYAPDYVVNAGGVIQVADELHGFDFDRCKAKAAKIYDTTLAIFARAKEDGIPPAAAADRIAEQRMAEARARR,CC(C)C(N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CC(C)C(N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CC(C)C(N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>CC(C)C(=O)C(=O)O.N.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,1.662757831681574,,,s_020f56f03d53c9ffe98e89f2,test
catpreddb_kcat_kcat_06b142276b92e7,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2c(O)cccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2c(O)cccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2c(O)cccc21.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1ccc(O)c2c(O)cccc12,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_06b7e84735a3ab,catpred_iteration1_kcat,kcat,A0A228BX09,A0A228BX09,MPPPPEVSPVTGNPVSPHYIHSSTLHFQDVNGRSLVLRGVNLSGSAKHPNNQPSHIREGFWETAEAGKGDFINKPLNLDDGSADLHLARLKAWGYNLLRYVFTWESLEHAGPKEYDYAYMDYIIAVLRKCKEWGFRVFMDPHQDVWSRFTGGSGAPLWTLYACGIDPYHLTATAAAYLHCEWPSAESPKPQDFPAMIWGTNYTHLANQTIWTFFFAGKTYAPKCIIDGKNIQDFLQDHFIDAVGELAKRIAEEAGDLLDECVIGWDSINEPGEGLIGCKDLAVIPAEQQLKKGPSPTPIEGMRLGMGEAQDVQAWNFGPMGPYRGSRQTIDPKGVKLWLSKEDDVKRGSGKWGWTRGKEWALGTCIWAHHGVWEIATSTLLRPDYFSTLPTNPGHQVDFVDDFWALHWLAYSSRIRLHHPESIHFIQAPVLRQPPKLPESFLKGRACSSPHFYDGLTLMTKHWNWFNADAIGVIRKKYWSIVQAVRIGEGPIRKMIQGELAVLKQDTIDILGNYPTLVGEIGIPYDMDDKKAYGYVDGGRGEGDYSSQQKAMDCSMNACDGPNCLNYAIWNYVPDNVHEWGDNWNGEDLSLWSVDDKEQESYHDSPRSDTPNFSTNSNSLTNSSATLTVPMSGASKLRPSPSVIDSGDFSPTLILDGSRAVAAFCRPYPVATVGIPERIDFDITSTKFKYAVRVRADDIANEQVYTEIYLPFVHYAASLNASRSAGHNPNLGQTTSTSADGDDSTVSSRQTSKVDLIEDERAIKSSDPSSVSIRSVPYSSFAQLSLDVTIVASHGRVEIQGQTLRWWYPVPGTGEEVYTIEVQRNGGALRRDLGYVQQGNFLDVCPECVIA,O.O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1,O.O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1,O.O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1>>O=c1ccc2nc3ccc(O)cc3oc-2c1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.3404441148401185,,,s_d2a6244868eea8688e269a0b,test
catpreddb_kcat_kcat_070837e5621935,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)C(O)C(O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)C(O)C(O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)C(O)C(O)COP(=O)(O)O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.3617278360175928,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_07437a5782ea67,catpred_iteration1_kcat,kcat,Q8TLW1,Q8TLW1,MSRMTSLLSQFVSKTDFESYEDFQENFKILVPENFNFAYDVVDVYARDSPEKLAMIWCDDYGNEKIFTFKDLKYYSDKAANFFVKHGIGKGDYVMLTLKSRYDFWYCMLGLHKLGAIAVPATHMLKTRDIVYRIEKAGLKMIVCIAEDDVPEQVDEAHAECGDIPLKKAKVGGDVLEGWIDFRKELEESSPIFERPTGEVSTKNEDICLVYFSSGTAGFPKMVEHDNTYPLGHILTAKYWQNVEDDGLHYTVADSGWGKCVWGKLYGQWIAGCAVFVYDYDRFEAKNMLEKASKYGVTTFCAPPTIYRFLIKEDLSHYNFSTLKYAVVAGEPLNPEVFNRFLEFTGIKLMEGFGQTETVVTIATFPWMEPKPGSIGKPTPGYKIELMDRDGRLCEVGEEGEIVINTMEGKPVGLFVHYGKDPERTEETWHDGYYHTGDMAWMDEDGYLWFVGRADDIIKTSGYKVGPFEVESALIQHPAVLECAITGVPDPVRGQVIKATIVLTKDYTPSDSLKNELQDHVKNVTAPYKYPRIIEFVPELPKTISGKIRRVEIRDKDQSQ,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.3324384599156053,,,s_5df5588f23339e6a8fa46c15,test
catpreddb_kcat_kcat_07441778625108,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,2.792391689498254,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_076885bbb4dad7,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,1.3424226808222062,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_0778628798bef8,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CCCCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CCCCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CCCCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O>>CCCCC(N)C(=O)[O-].O=C(O)c1cc(=O)c2ccccc2[nH]1,public_strict_iteration1_fulltrue_msa,-0.3872161432802645,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_078d0af27bb668,catpred_iteration1_kcat,kcat,I0DFJ0,I0DFJ0,MSENLQLSAEEMRQLGYQAVDLIIDHMNHLKSKPVSETIDSDILRNKLTESIPENGSDPKELLHFLNRNVFNQITHVDHPHFLAFVPGPNNYVGVVADFLASGFNVFPTAWIAGAGAEQIELTTINWLKSMLGFPDSAEGLFVSGGSMANLTALTVARQAKLNNDIENAVVYFSDQTHFSVDRALKVLGFKHHQICRIETDEHLRISVSALKKQIKEDRTKGKKPFCVIANAGTTNCGAVDSLNELADLCNDEDVWLHADGSYGAPAILSEKGSAMLQGIHRADSLTLDPHKWLFQPYDVGCVLIRNSQYLSKTFRMMPEYIKDSETNVEGEINFGECGIELSRRFRALKVWLSFKVFGVAAFRQAIDHGIMLAEQVEAFLGKAKDWEVVTPAQLGIVTFRYIPSELASTDTINEINKKLVKEITHRGFAMLSTTELKEKVVIRLCSINPRTTTEEMLQIMMKIKALAEEVSISYPCVAE,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O>>NCCc1ccccc1.O=C=O,public_strict_iteration1_fulltrue_msa,0.8692317197309762,0.8571438367478731,,s_bd6fd032a410f5a74b4b4df3,test
catpreddb_kcat_kcat_079f41b225923f,catpred_iteration1_kcat,kcat,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1c(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.8698182079793282,,,s_172b558c15818a4aa109b980,test
catpreddb_kcat_kcat_07a0532ecd1acc,catpred_iteration1_kcat,kcat,Q7LYI9,Q7LYI9,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@@H]1OC(O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,1.6127838567197357,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_07a1465b75e4b0,catpred_iteration1_kcat,kcat,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,3.196728722623287,,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_kcat_kcat_07c1c1d780886f,catpred_iteration1_kcat,kcat,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.436162647040756,,,s_0ad9625fa36195c17c775d5c,test
catpreddb_kcat_kcat_07dbafb8adc254,catpred_iteration1_kcat,kcat,P08144,P08144,MFLAKSIVCLALLAVANAQFDTNYASGRSGMVHLFEWKWDDIAAECENFLGPNGYAGVQVSPVNENAVKDSRPWWERYQPISYKLETRSGNEEQFASMVKRCNAVGVRTYVDVVFNHMAADGGTYGTGGSTASPSSKSYPGVPYSSLDFNPTCAISNYNDANEVRNCELVGLRDLNQGNSYVQDKVVEFLDHLIDLGVAGFRVDAAKHMWPADLAVIYGRLKNLNTDHGFASGSKAYIVQEVIDMGGEAISKSEYTGLGAITEFRHSDSIGKVFRGKDQLQYLTNWGTAWGFAASDRSLVFVDNHDNQRGHGAGGADVLTYKVPKQYKMASAFMLAHPFGTPRVMSSFSFTDTDQGPPTTDGHNIASPIFNSDNSCSGGWVCEHRWRQIYNMVAFRNTVGSDEIQNWWDNGSNQISFSRGSRGFVAFNNDNYDLNSSLQTGLPAGTYCDVISGSKSGSSCTGKTVTVGSDGRASINIGSSEDDGVLAIHVNAKL,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O>>CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.561101383649056,,,s_00a993cbd13b9cc0076486bf,test
catpreddb_kcat_kcat_07fa68974b9a54,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,O[C@H](CCl)c1ccccc1,O[C@H](CCl)c1ccccc1,O[C@H](CCl)c1ccccc1>>Cl.c1ccc(C2CO2)cc1,public_strict_iteration1_fulltrue_msa,0.3424226808222063,0.6232492903979004,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_0834f9155d5123,catpred_iteration1_kcat,kcat,A0A165SC98,A0A165SC98,MKGKLKLFLAVGAISVIVAGCANANSQNGMKGTDQPKMNMGDSQQNTSQNKEQSGDMKLTQATPVADGKEFTITAQASNLKVSDDVTLPVWTFNNSVPGPQIRVKVGDTVKVKLKNELEEPVSIHWHGYPVPNNMDGIPGVTQDAVAAGKEFTYEFKATVPGTYWYHSHQDSVNQLDKGLYGTLIVEDPSESYDRDYTIVLDEWMSSGEMDMSNNEDMEGMDHSQMDMGDTSNNEDMQGMDHSQMDMGNTSNNEDMEGMDHSQMDMGDTSNMTEMAGHDMSMYDVYTMNGKTGDAIDKLTVKKGDKVRIRLVNAGYITHTIHLHGHEFKVIASDGQPVNSPAVITDQGIAIAPGERYDLEFTANNPGSWLLEEHGKEDRVKNMRAVIEYEGVPDRPDASNANEELPTFDLTKYGQQARTNFSLDQKFDQDVKLDLNTEMKAGEMVYTINGKLFPDTDPIKVDKGDKVKVTFVNNSKTDDHPMHLHGHFFQVLSKNGKPLEGTPVIKDTLNVKPGEEYVVAFEADNPGDWMFHCHDLHHASAGMVTDVMYNGYNSNYTPDPTVGNKPE,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O>>O,public_strict_iteration1_fulltrue_msa,3.0433622780211294,,,s_e65e1a798563d1746dac7cca,test
catpreddb_kcat_kcat_08389bcd982009,catpred_iteration1_kcat,kcat,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H+],public_strict_iteration1_fulltrue_msa,2.1684974835230326,,,s_0424465e822fd7a94a631a04,test
catpreddb_kcat_kcat_083cc94c1295cc,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)C[C@H](N)C(=O)O.CCCC(=O)C(=O)[O-],CC(C)C[C@H](N)C(=O)O.CCCC(=O)C(=O)[O-],CC(C)C[C@H](N)C(=O)O.CCCC(=O)C(=O)[O-]>>CC(C)CC(=O)C(=O)O.CCCC(N)C(=O)[O-],public_strict_iteration1_fulltrue_msa,2.278753600952829,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_08806bb7bf4b30,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,-1.6020599913279625,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_08a506924fc63b,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.568201724066995,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_08f59cd8bcc69f,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.0569048513364725,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_0908b3e196b2b9,catpred_iteration1_kcat,kcat,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.5105450102066121,,,s_172b558c15818a4aa109b980,test
catpreddb_kcat_kcat_091503a2b0a197,catpred_iteration1_kcat,kcat,G3H935,G3H935,MGDAPSPEEKLHLITRNLQEVLGEEKLKEILKERELKVYWGTATTGKPHVAYFVPMSKIADFLKAGCEVTILFADLHAYLDNMKAPWELLELRTSYYENVIKAMLESIGVPLEKLKFIKGTDYQLSKEYTLDVYRLSSVVTQHDAKKAGAEVVKQVEHPLLSGLLYPGLQALDEEYLKVDAQFGGVDQRKIFTFAEKYLPALGYSKRVHLMNPMVPGLTGSKMSSSEEESKIDLLDRKEDVKKKLKKAFCEPGNVENNGVLSFIKHVLFPLKSEFVILRDEKWGGNKTYTVYLELEKDFAAEVVHPGDLKNSVEVALNKLLDPIREKFNTPALKKLASAAYPDPPKQKPTAKGPAKNSEPEEIIPSRLDIRVGKIVSVEKHPDADSLYVEKIDVGEAEPRTVVSGLVQFVPKEELQDRLVVVLCNLKPQKMRGVDSQGMLLCASIEGVSRQVEPLDPPEGSAPGERVFVKGYEKGQPDEELKPKKKVFEKLQADFRISEECIAQWKQTNFMTKLGCISCKSLKGGNIS,N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.0969100130080565,,,s_e231c9785d0e8063370a576d,test
catpreddb_kcat_kcat_091a15d66e2d95,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.3729120029701067,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_0933368bae6fef,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,O=C(O)CC(=O)C(=O)O.[H],O=C(O)CC(=O)C(=O)O.[H],O=C(O)CC(=O)C(=O)O.[H]>>CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1.O=C(O)CC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,3.004321373782642,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_095e65c3236810,catpred_iteration1_kcat,kcat,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CCCCN=C(C)O.O,CCCCN=C(C)O.O,CCCCN=C(C)O.O>>CC(=O)O.CCCCN,public_strict_iteration1_fulltrue_msa,-1.2218487496163564,,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_kcat_kcat_097e65952c17db,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,Cc1onc(-c2ccccc2)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O,Cc1onc(-c2ccccc2)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O,Cc1onc(-c2ccccc2)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_09a7f99691c7d4,catpred_iteration1_kcat,kcat,Q09IZ4,Q09IZ4,MILRILNLVMLAILARTTFAQLQQVTNFGPNPTNVGIYAYRPSGLPANPALIVAMHYCTGTAQAYYSGTRYATLANTYKFIVIYPNAPDSGGCWDVHTNATLTHDAGGDSLGIASAIRYAINTWGVDRNRVFATGTSSGAMMTNVLAGAYPDLIKAGAAFAGVPYGCFAGPGMWNSQCAQGQLTKTAQQWGDQVRSGYPGYTGSRPKMQIWHGTRDETLNYNNFDEAIKQWTNIFGYSTTATQVQQNSPLSGWTRSTYGPNFQAISAANVPHNIPVQENDVLNWFGITGGGPTTTTTTTGPTQPPTTTTPGGPLQTQWGQCGGIGWTGPTACQPPFTCQYTNDWYSQCR,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1.O>>CC(=O)O.Cc1cc(=O)oc2cc(O)ccc12,public_strict_iteration1_fulltrue_msa,2.6589648426644352,,,s_87d966b798baa57fa1902ada,test
catpreddb_kcat_kcat_09b17425d31424,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.03342375548695,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_09b647fc954cda,catpred_iteration1_kcat,kcat,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,CC(=O)C(=O)O.N[C@@H](CO)C(=O)O,CC(=O)C(=O)O.N[C@@H](CO)C(=O)O,CC(=O)C(=O)O.N[C@@H](CO)C(=O)O>>C[C@H](N)C(=O)O.O=C(O)C(=O)CO,public_strict_iteration1_fulltrue_msa,0.8061799739838872,,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_kcat_kcat_09c419de26f4c1,catpred_iteration1_kcat,kcat,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,N=C(O)CCC(=O)O.NO,N=C(O)CCC(=O)O.NO,N=C(O)CCC(=O)O.NO>>N.O=C(O)CCC(O)=NO,public_strict_iteration1_fulltrue_msa,0.4471580313422192,,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_kcat_kcat_09d0f775543719,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCc1ccccc1.O.O=O,NCc1ccccc1.O.O=O,NCc1ccccc1.O.O=O>>N.O=Cc1ccccc1.OO,public_strict_iteration1_fulltrue_msa,0.534026106056135,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_09ec5de5ac2747,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_09eeea597174a7,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCCCNCCCN.O.O=O,NCCCCNCCCN.O.O=O,NCCCCNCCCN.O.O=O>>N.OO,public_strict_iteration1_fulltrue_msa,0.3617278360175928,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_09f5c1ac6a5bff,catpred_iteration1_kcat,kcat,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@H](C)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](C)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](C)N)ccc12.O>>C[C@H](N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,0.9138138523837168,,,s_9cc6c1623917d877b3099a50,test
catpreddb_kcat_kcat_09f942fc5ce6c1,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,O.O=c1nc(O)ccn1[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1,O.O=c1nc(O)ccn1[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1,O.O=c1nc(O)ccn1[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1>>O=P(O)(O)O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,0.7160033436347992,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_0a14d8faba9b93,catpred_iteration1_kcat,kcat,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>CCn1/c(=N/N=C2/Sc3cc(S(=O)(=O)[O-])ccc3[N+]2CC)sc2cc(S(=O)(=O)[O-])ccc21.O,public_strict_iteration1_fulltrue_msa,3.871572935545879,,,s_51f714c2449518f0f1cf2f16,test
catpreddb_kcat_kcat_0a2fab30dbe73b,catpred_iteration1_kcat,kcat,B9WJQ5,B9WJQ5,MTSHTHPVKLSRTFKTKAGDELSIGTGTGTKWKKDSKLDEINQELVDQILLAIKLGYRHIDTAEVYNTQAEVGEAIKKSGIPREQLWITTKYNPGWGDIKASSASPQESIDKALKQLGTDYIDLYLIHQPFFTEENTHGYSLIDTWKILIEAKKQGKIREIGVSNFAIKHLEALKKVSEPEYYPVVNQIESHPFLQDQSKNITKYSQENGILVEAFSPLTPASRLDANPLTDYLEELVKKYNKTPGQLLLRYTLQRGILPITTSAKESRIKESLDVFDFELTKEEFDKITEIGNANPHRVFFHEAFKDL,CC1(C)COC(=O)C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC1(C)COC(=O)C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC1(C)COC(=O)C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC1(C)COC(=O)[C@@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.7708520116421442,,,s_9add041f803ed77948aa4a5a,test
catpreddb_kcat_kcat_0a6e5e3b17280e,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCCCCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.5528419686577808,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_0a733d31eb0c9c,catpred_iteration1_kcat,kcat,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O=C=O.O=O,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O=C=O.O=O,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O=C=O.O=O>>C/C(=C/CC12OC1(C)C(=O)c1ccccc1C2=O)CCCC(C)CCCC(C)CCCC(C)C.O,public_strict_iteration1_fulltrue_msa,-0.3115801779972894,,,s_758b68a2c36468550d799726,test
catpreddb_kcat_kcat_0aca39b8e05716,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.462397997898956,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_0acd447b41eb82,catpred_iteration1_kcat,kcat,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O.[H+],C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O.[H+],C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O.[H+]>>C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@]12C.O,public_strict_iteration1_fulltrue_msa,-0.2218487496163563,,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_kcat_kcat_0ae0e078227cd1,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O>>CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,2.2095150145426308,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_0b038b5ceaa546,catpred_iteration1_kcat,kcat,Q9PH97,Q9PH97,MAHLLLLHGPNLNLLGTREPEIYGRITLPQIDAALAERATAAGHGLSSLQSNAEHVLIERIHATPEDGTAFILINPGAFTHTSVALRDALLAVALPFVEIHLSNPYTREPFRHHSYLADKALGVVCGFGVDSYRIALEGVIARLGSDV,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O>>O.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,public_strict_iteration1_fulltrue_msa,0.8543060418010806,-0.7991495019089225,,s_85cbedfdf27951a4f7a22ca2,test
catpreddb_kcat_kcat_0b0cbf45b57f97,catpred_iteration1_kcat,kcat,Q9SRQ2,Q9SRQ2,MDHQVSLPQSTTTGLSFKVHRQQRELVTPAKPTPRELKPLSDIDDQQGLRFQIPVIFFYRPNLSSDLDPVQVIKKALADALVYYYPFAGRLRELSNRKLAVDCTGEGVLFIEAEADVALAELEEADALLPPFPFLEELLFDVEGSSDVLNTPLLLVQVTRLKCCGFIFALRFNHTMTDGAGLSLFLKSLCELACGLHAPSVPPVWNRHLLTVSASEARVTHTHREYDDQVGIDVVATGHPLVSRSFFFRAEEISAIRKLLPPDLHNTSFEALSSFLWRCRTIALNPDPNTEMRLTCIINSRSKLRNPPLEPGYYGNVFVIPAAIATARDLIEKPLEFALRLIQETKSSVTEDYVRSVTALMATRGRPMFVASGNYIISDLRHFDLGKIDFGPWGKPVYGGTAKAGIALFPGVSFYVPFKNKKGETGTVVAISLPVRAMETFVAELNGVLNVSKG,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCCCCCO,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCCCCCO,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCCCCCO>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCOC(C)=O,public_strict_iteration1_fulltrue_msa,1.3617278360175928,,,s_923e9138be0b9931b031104a,test
catpreddb_kcat_kcat_0b369183fa18b3,catpred_iteration1_kcat,kcat,Q6F9G0,Q6F9G0,MDLQQQPLFRQKALVAGQWCDADNAEKTPIFNPATQELIGYVPNMGRAETERAIEAAYASWEMWKTKTAKERSALLKKWYDLILLNLDVLAEILTTEQGKPFNEAKGEIIYAASFIEWFAEEAKRIYGDIIPSPYPDARIVVNKQPIGVVAAITPWNFPAAMITRKVAPALAAGCPCIVKPAPETPFTALALADLAIQAGIPAEIMSVVTGDAAQIGDAIFASDHVRKFTFTGSTPIGKLLLEKSAKTLKKVSLELGGNAPFIVFDDADIEAAVEGALIAKFRNAGQTCVCVNRFLVQSGVYEKFIQVFKAKIESLKIGNGLEAGSEIGPLINAQAVAKVQSHIEDALSKNGRLITGGQVHATGELFFEPTLIADANTEMMVATQETFGPLAAIFKFDTEQQAIQMANDTEFGLAAYCYTRDLGRAWRMSEQLEYGMVGINKGLISNEVAPFGGIKHSGLGREGSKYGIEDYLEIKYTLFGGL,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)O.[H],public_strict_iteration1_fulltrue_msa,1.7888751157754168,,,s_d54286fc98adab6346fd9054,test
catpreddb_kcat_kcat_0b3892849734a8,catpred_iteration1_kcat,kcat,Q5BLZ6,Q5BLZ6,MLKEAVYHRPTDQFAYAYDDKTLHIRLRTKKSDVHAVSLLHGDPYCWEDRQWQFTKTEMTKSGSDALFDYWWVAISPPYRRLRYGFELVSGNERCVYTEKGFFHEAPIDDIAYYFCFPFLNRIDVFHAPTWVKDTVWYQIFPERFANGDPSLNPKGTIPWGSADPTPTSFFGGDFAGIMERLDYLVELGINGIYFTPIFKASSNHKYDTIDYFEIDPQFGDKPTFKRLVERCHQKGIRVMLDAVFNHSGHFFAPFQDVLKHGEKSKYKDWFHIHEFPLQTEPLPNYDTFAFVPTMPKLNTENQEVKQYLLDVATYWIREFDIDGWRLDVANEVDHQFWREFRQAVKAVKQDVYILGEIWHDAMPWLRGDQFDAVMNYPFTNGVLRYFAKSEMKASEFAHSITNVLHSYPNNVNEVAFHLLGSHDTPRILTECGENKEKVKLMFTFQFSFTGTPCIYYGDEIGLTGGQDPLCRKCMVWEEEKQDLELFAHVQKLISLRRKYRSLSRGELHFLETNDETNHLVYTKTYEQETVIFLLNNSNRKLDITLPLSVKRKKLTDLWTNKQFVSEENEWTVTLAPYGFLMFLVE,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.4983105537896004,,,s_dd5d216cdf90f90ee5b636e1,test
catpreddb_kcat_kcat_0b3edcf686237d,catpred_iteration1_kcat,kcat,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=O>>O.O=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO,public_strict_iteration1_fulltrue_msa,-2.0,,,s_e8cf4514befa1a1899f825d0,test
catpreddb_kcat_kcat_0b43bda6ad17b9,catpred_iteration1_kcat,kcat,D6XUS4,D6XUS4,MKPYLKEDPWSIIEEGFDKDKHEISESVFSLGNGHMGQRANFEETYTGSTLQGSYMAGVYYPDKTRVGWWKNGYPEYFAKVLNATNWIGLDISVDGTELDLNRAEVNDFVRELNMKEGYLKRSFRATIADGKDIKVEATRFVSVAMKEIGAIEYKITPLTFDGELTLRSYLDGDIMNKDANYDEKFWSKVSESAEGSRAHVTVKTKKLDFVYASLKETKVVHAGEEISPAECKTAEKYAEVTFTAPLKKNEATTIYKFAANVTNRDHEDQKLLDVAKEKLNQAIEKGFDTLKKEQADEWNKKWEDSDIVIEGDVAAQQGIRFNIFQMNQTYTGEDARLNIGPKGFTGEKYGGSTYWDTEAYCLPFYLATADQRIPKNLLVYRHNHLEKAKENAGKLGFTKGALYPMVTMNGEESHNEWEITFEEIHRNGAIAYAIYNYVNYTGDKSYIGELGIEVLVEISRFWEERVHYVPKKDVYMMHGVTGPNEYENNVNNNWYTNRIASWTLEYTLFALDYLKDSDPELYKKWITKLDLKDHETEKWLTIIDKMYYPEDKENGIFLQADNFEDKEIMPVSDLDEKHLPLNQNWSWDRILRSCFIKQADVLQGMYFLNHEFDIETKKRNFDYYEPMTVHESSLSPCVHSILACELGYKEKAYEMYLRTARLDLDNYNNDTEDGCHITSMAGTWMSVVEGFGGMKVKNDQLILNPFIPGQWSSFSFKVVFRGTRLLIKVTQDQVVVNNETDVKADLVIHGETYSLDGKGELSINH,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.6020599913279625,,,s_c22cc2f9542b8c837fc60478,test
catpreddb_kcat_kcat_0b4510131379b8,catpred_iteration1_kcat,kcat,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1.O,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1.O,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1.O>>CC(Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)O.CO,public_strict_iteration1_fulltrue_msa,0.7723217067229198,,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_kcat_kcat_0b4554355a5a34,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,CCSC[C@H](N)C(=O)O.O,CCSC[C@H](N)C(=O)O.O,CCSC[C@H](N)C(=O)O.O>>CC(=O)C(=O)O.CCS.N,public_strict_iteration1_fulltrue_msa,0.7323937598229685,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_0b5c65fdacff1a,catpred_iteration1_kcat,kcat,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O>>,public_strict_iteration1_fulltrue_msa,1.1760912590556811,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_0b8cb7fcd66455,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,2.3521825181113627,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_0b8ea38f7978df,catpred_iteration1_kcat,kcat,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.970346876230093,,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_kcat_kcat_0b9033c30eb507,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1c(O)c2ccccc2c2ccccc12,public_strict_iteration1_fulltrue_msa,0.4548448600085102,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_0b98f3d55d5318,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O.O=P(O)(O)Oc1cccc2ccccc12,O.O=P(O)(O)Oc1cccc2ccccc12,O.O=P(O)(O)Oc1cccc2ccccc12>>O=P(O)(O)O.Oc1cccc2ccccc12,public_strict_iteration1_fulltrue_msa,1.7242758696007892,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_0bf081132ac3b0,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1ccnc(O)n1.O,CC(O)=Nc1ccnc(O)n1.O,CC(O)=Nc1ccnc(O)n1.O>>,public_strict_iteration1_fulltrue_msa,1.845098040014257,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_0bf426a083c490,catpred_iteration1_kcat,kcat,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,NC(N)=Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1.O,NC(N)=Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1.O,NC(N)=Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1.O>>NC(N)=O.Nc1ccc(CC(=O)[O-])c([N+](=O)[O-])c1,public_strict_iteration1_fulltrue_msa,2.510545010206612,,,s_58345ae90df4d9185ef408b3,test
catpreddb_kcat_kcat_0c0e99e67acf0f,catpred_iteration1_kcat,kcat,P0CH36,P0CH36,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,CCCC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCO.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.2201080880400552,,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_kcat_kcat_0c1982994d07df,catpred_iteration1_kcat,kcat,D3U1D9,D3U1D9,MATSKVVFITGATSGFGEAAAQVFADAGWSLVLSGRRFERLKTLQDKLASQVPVHIIELDVRDSDSVAAAVAALPADFADITTLINNAGLALSPQPAQKVDLDDWKTMIDTNVTGLVNVTHALLPTLINHGAGASIINIGSIAGQWPYPGSHVYGASKAFVKQFSYNLRCDLLGTGVRVTDLAPGIAETEFTLVRTKGDQAASDNLYRGTTPLSARDIAEQMFYIATLPDHMNINRVEVMPVRQAWQPFAIDRD,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=S(=O)(O)CCO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=S(=O)(O)CCO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=S(=O)(O)CCO>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CCS(=O)(=O)O.[H+],public_strict_iteration1_fulltrue_msa,-0.8239087409443188,,,s_1ae383681c8af3a9ffe32f8e,test
catpreddb_kcat_kcat_0c87f9f8ec67a3,catpred_iteration1_kcat,kcat,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCC=O.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCC=O.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCC=O.O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCC(=O)O.[H+],public_strict_iteration1_fulltrue_msa,0.8864907251724818,,,s_5f171a39f788d95d16fb2f10,test
catpreddb_kcat_kcat_0c89ed99768b30,catpred_iteration1_kcat,kcat,Q8GMG0,Q8GMG0,MALTQVETEIVPVSVDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNIPIYGVTTGYGEMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIVAARLNTLAKGHSAVRPIILERLAQYLNEGITPAIPEIGSLGASGDLAPLSHVASTLIGEGYVLRDGRPVETAQVLAERGIEPLELRFKEGLALINGTSGMTGLGSLVVGRALEQAQQAEIVTALLIEAVRGSTSPFLAEGHDIARPHEGQIDTAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRSEIYLQKAYSLRAIPQVVGAVRDTLYHARHKLRIELNSANDNPLFFEGKEIFHGANFHGQPIAFAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAGAQYPATALVAENRTIGPASTQSVPSNGDNQDVVSMGLISARNARRVLSNNNKILAVEYLAAAQAVDISGRFDGLSPAAKATYEAVRRLVPTLGVDRYMADDIELVADALSRGEFLRAIARETDIQLR,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O>>NC(CC(=O)O)c1ccc(O)c(Cl)c1,public_strict_iteration1_fulltrue_msa,-2.318758762624413,0.7842592630430123,,s_ed7ffc280e1a91db2c848542,test
catpreddb_kcat_kcat_0cab047437fa79,catpred_iteration1_kcat,kcat,Q65CC7,Q65CC7,MHLLVRALVEEMAGRGVPHRVLTMSPPKVPKDIRIGQRIKVHARRLPVLPIPSDLEGYFGLVGAWAKGSLLWVLRNRKRLRREIGARVHAHCDGSGAAAFYPYLMSRILGVPLVVQIHSSRYLSQHPTTLFERVTDPIAKWAERHAVRKAAAVLMLTDRARDEMRRKAQLPAERVHRLAYLASDQFKDADTEARRAELRERYGLDDRPIVLYVGRIAAEKGVEYYIEAAAELTRRGRDCQFVIAGDGPARPDLEKLIGARGLRDRVTITGFMSHEFIPSMISLGELVVLPSRYEELGIVILECMTMRRPLVAHDVNGVNKLIEDGTTGIVVPPFRTPEMADAVERLLDDPELRERMAENAAPLPAAKYSLSAAGDQLAGIYREIGL,N[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O.N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O,N[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O.N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O,N[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O.N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O>>N[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@H]2N)O[C@H](CO)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.2518119729937995,,,s_6ee1d2392fde898fa85f518c,test
catpreddb_kcat_kcat_0cbe82a7900306,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCCCCCCCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.958607314841775,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_0d013cf944d978,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC=CC(=O)O,public_strict_iteration1_fulltrue_msa,-1.1249387366083,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_0d387b182d6106,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.0861861476162833,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_0d441914089d77,catpred_iteration1_kcat,kcat,Q59718,Q59718,MSVIAITGSASGIGAALKELLARAGHTVIGIDRGQADIEADLSTPGGRETAVAAVLDRCGGVLDGLVCCAGVGVTAANSGLVVAVNYFGVSALLDGLAEALSRGQQPAAVIVGSIAATQPGAAELPMVEAMLAGDEARAIELAEQQGQTHLAYAGSKYAVTCLARRNVVDWAGRGVRLNVVAPGAVETPLLQASKADPRYGESTRRFVAPLGRGSEPREVAEAIAFLLGPQASFIHGSVLFVDGGMDALMRAKTF,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>,public_strict_iteration1_fulltrue_msa,1.6812412373755872,,,s_d157ec4a40d8cc628dd60cdd,test
catpreddb_kcat_kcat_0d61b375a6ee3c,catpred_iteration1_kcat,kcat,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.3617278360175928,,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_kcat_kcat_0d69973e2d27bf,catpred_iteration1_kcat,kcat,P16006,P16006,MKASTVLQIAYLVSQESKCCSWKVGAVIEKNGRIISTGYNGSPAGGVNCCDYAAEQGWLLNKPKHAIIQGHKPECVSFGSTDRFVLAKEHRSAHSEWSSKNEIHAELNAILFAARNGSSIEGATMYVTLSPCPDCAKAIAQSGIKKLVYCETYDKNKPGWDDILRNAGIEVFNVPKKNLNKLNWENINEFCGE,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O>>N.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,2.66838591669,,,s_9d327aec1e1ae803d6db6e60,test
catpreddb_kcat_kcat_0d73baccc21164,catpred_iteration1_kcat,kcat,Q187D4,Q187D4,MYNKETICVQGNYKPGNGEPRVLPLYQSTTFKYSSIDQLAELFDLKVDGHIYSRISNPTIQAFEEKISLLEGGVSSVAVSSGQSANMLAVLNICKSGDSILCSSKVYGGTFNLLGPSLKKFGIDLISFDLDSSEDEIVELAKENTKVVFAETLANPTLEVIDFEKIANVAKRINVPFIVDNSLASPVLCNPLKYGANIVTHSTTKYLDGHASSVGGIIVDGGNFNWDNGKFPELVEPDPTYHGISYTQKFGNAAYATKARVQLLRDYGNCLSPFNAYLTNLNVETLHLRMERHSENALKIARFLEKHENVDWINYPGLEDNKYYENAKKYLSRGCSGVLSFGVRGGLENAKKFVEKLQIASLVTHVSDVRTCVIHPASTTHRQLTEEQLIASGVLPSLIRLSVGIENVEDLIADLNQALNF,CC(=O)OCC[C@H](N)C(=O)O.S,CC(=O)OCC[C@H](N)C(=O)O.S,CC(=O)OCC[C@H](N)C(=O)O.S>>CC(=O)O.N[C@@H](CCS)C(=O)O,public_strict_iteration1_fulltrue_msa,1.973681918503984,,,s_ca1d2cddc60a3e3f5b491e27,test
catpreddb_kcat_kcat_0de008044d6501,catpred_iteration1_kcat,kcat,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCCN.O,CC(O)=NCCCCN.O,CC(O)=NCCCCN.O>>CC(=O)O.NCCCCN,public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_kcat_kcat_0deb6f97a5282f,catpred_iteration1_kcat,kcat,S5RVR8,S5RVR8,MKLHHLLLSLVPLAGSVYAQVAAPYVDSGNGFVFDGITDPVYHVSYGIVLPQATTSSEFIGEIVAPLDAKWIGLALGGAMIGDLLIVAWPNGNEIVSSTRYATAYQLPDVYEGPTITTLPSSLVNSTHWKFVFRCQNCTSWEGGGGIDPTGTGVFAWAYSSVGVDDPSDPNTTFQEHTDFGFFGINFPDAQNSNYQNYLQGDAGTPPPTSTPTGPTTTTTPTGPTVSATPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTAQTGGTYDAPWAKSANLTKFDIPGLFESMFTDPNPWWWCKDTNFFAGCLLGGGTSVNGALYWLPTDSDFSSQNGWPTSWGNHQPYTTKLKQRLPSTDHPSTDGQRYLEQSATVVSQLLSGQGYQQITINDNPDYKDHVYGYSAFDFINGQRAGPVATYLQTALARSNFVYKDYTLVSQVLRNGSTITGVRTNNTALGPNGIVPLNPNGRVILAAGSFGTPRILFQSGIGPTDQIQTVESNPTAAANLPPQSDWINLPVGQAVSDNPSINLVFTHPSIDAYENWADVWSDPRPADAQQYLQSRSGVFAGASPKLNFWRAYGGSDGKTRYAQGTVRPGAASVNTSVAYNASQIFTITVYLSEGITSRGRLGVDAALNMKAVTNPWLTDPVDKTVLLQALHDVVSNINSVPGLTMITPDHTQTIEEYVAAYDPATMCSNHWVGAAKIGSSPSTAVVDENTKVFNTDNLFIVDASIIPALPVGNPHGMLMSAAEQAAAKILALAGGP,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC.O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.069298012115529,,,s_540537e487379d25dd5c36c3,test
catpreddb_kcat_kcat_0e0ae4e8f5d3b5,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.9030899869919436,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_0e161cefe09ef3,catpred_iteration1_kcat,kcat,C5BN23,C5BN23,MRNPLRYTLLAFLLGHLGIAQSAPLTADQDHAQLLHVLGIENLRRGADGNTDSPFAANTDEAKANTALDSLPPLLTSVSGQAIASATDWEANRPALLNTFSQEIYGYVPGGAPELHWKAGSTTPIDDSGTSAIRQHFTSTLVHPENAALNLSLNFTLVLPKSNKPVPVVVVMSFDPGIWERFRDRMPAERYAQIQADNARWREQVVNAGWGYAEIIPTEFQADSGDGLSQGIIGFVNNGKPRNPTDWGALRAWAWSASQVLTYLQTDSRVAADRISVHGHSRFGKAALVAMAFDNRFAAGFISSSGEGGAKLWRRNFGEQVGNLAGAGEYHWMAGNFVKYAGPKKVNDIPVDAHQLLALCAPRPVLVSVGSQGESWVDPKGMLLAAYHATPAYALFGEQGVTQNELPAVGNGLLAGKLAFRQHEGGHTPAPNWETFITFATRQWASPNRLK,C=CCOC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.O,C=CCOC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.O,C=CCOC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O.O>>C=CCO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.3010299956639813,,,s_21282d4f8da81a8e39870ab1,test
catpreddb_kcat_kcat_0e1eb58f68f9c8,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl.O,CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl.O,CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl.O>>CC1(C)C(C=C(Cl)Cl)C1C(=O)[O-].OCc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.4771212547196624,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_0e23db909e8d00,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-1.2518119729937995,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_0e23f541aa5efc,catpred_iteration1_kcat,kcat,Q88GW5,Q88GW5,MPEILGHNFIAGQRSAAGPQRLQSLDASTGEALPYSFAQATEAEVDKAAKAAAAAFADFRQLAPARRAEFLDAIAAELDELDDAFVAIVCRETALPAARIQGERGRTSGQMRLFAQVLRRGDFLGARIDLALPERQPLPRVDLRQMRIGVGPVAVFGASNFPLAFSTAGGDTAAALAAGCPVVFKAHSGHMATADLVACAIVRAAERTGMPKGVFNMVFGGGVGEWLVKHPAIQAVGFTGSLKGGDALCRMAAERPQPIPVFAEMSSINPVIILPGALAKRGEAIARELAGSVCMGAGQFCTNPGLVIGLQSPQYSQLLADLGQYLDQQAGQTMLNAGGLHSYVGGLEHLHAHAGIEHVAGQVQEGNQARAQLFKADARLLVESDPLLQEEVFGPTTVAVEVQDNDQLRDALLGLRGQLTATLIGEAEDFDAFAWLVPLLEEKVGRILVNGYPTGVEVCDAMVHGGPYPATSDARGTSVGTLAIDRFLRPVCYQNYPQTLLPEALRDGNPLGLRRLVNGQWSDGAI,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)C(=O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H+],public_strict_iteration1_fulltrue_msa,2.294466226161593,,,s_8459db29a7fcce2de085564f,test
catpreddb_kcat_kcat_0e2f5389e99ea4,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CC(C)(C)OC(N=C(O)[C@H](CCC(=O)O)N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)(C)OC(N=C(O)[C@H](CCC(=O)O)N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)(C)OC(N=C(O)[C@H](CCC(=O)O)N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC(C)(C)OC(=O)[C@H](CCC(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O)N=C(O)OCc1ccccc1.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.7958800173440752,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_0e56199197d0c5,catpred_iteration1_kcat,kcat,P29957,P29957,MKLNKIITTAGLSLGLLLPSIATATPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRYQPVSYELQSRGGNRAQFIDMVNRCSAAGVDIYVDTLINHMAAGSGTGTAGNSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASNYVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQEVIDQGGEAVGASEYLSTGLVTEFKYSTELGNTFRNGSLAWLSNFGEGWGFMPSSSAVVFVDNHDNQRGHGGAGNVITFEDGRLYDLANVFMLAYPYGYPKVMSSYDFHGDTDAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNNTADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQYCNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLNTSSASSTESDWQRTVIFINAQTQSGQDMFIRGGIDHAYANANLGRNCQTSNFECAMPIRHNNLKNVTTSPWKANDNYLDWYGIENGQSSEAEGSATDWTTNVWPAGWGAEKTVNTDGFGVTPLNIWGEHYWMLDVDMDCSKAVNGWFELKAFIKNGQGWETAIAQDNAPYTSTNHMAQCGKINKFEFNNSGVVIRSF,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O>>CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.829303772831025,,,s_8e85573a5bc805580118e69e,test
catpreddb_kcat_kcat_0e5a82da7b5f7e,catpred_iteration1_kcat,kcat,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O.O=P([O-])([O-])NP(=O)([O-])[O-],O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O.O=P([O-])([O-])NP(=O)([O-])[O-],O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O.O=P([O-])([O-])NP(=O)([O-])[O-]>>O=C(O)c1cc(=O)[nH]c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,1.5440680443502757,,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_kcat_kcat_0e7164a4ce2e2c,catpred_iteration1_kcat,kcat,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O>>CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,5.161966616364075,,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_kcat_kcat_0e8f369c59020a,catpred_iteration1_kcat,kcat,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,COc1ccc(CCN)cc1.O.O=O,COc1ccc(CCN)cc1.O.O=O,COc1ccc(CCN)cc1.O.O=O>>COc1ccc(CC=O)cc1.N.OO,public_strict_iteration1_fulltrue_msa,1.1846914308175989,,,s_7b85f430e37427f09efb431e,test
catpreddb_kcat_kcat_0e9299f062afa7,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.8750612633917001,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_0ebf8df254f375,catpred_iteration1_kcat,kcat,E8MF13,E8MF13,MTSTGRFTLPSEENFAEKTKELAELWGADAIRNSDGTHLDEAVLALGKKIYNAYFPTRAHNEWITLHMDETPQVYLLTDRILAESDTVDIPLMESFFAEQLKPNRDADPHKYWEVVDRTTGEVVDSANWTLDADEDTVHVSGVAAWHEYTVSFLAYIIWDPVEMYNHLTNDWGDKEHEIPFDIYHPATRKFVFDTFEQWLKDSPQTDVVRFTTFFYQFTLLFDEKRREKVVDWFGCACTVSPRALDDFEAKYGYRLRPEDFVDGGAYNSAWRVPRKAQRDWIDFLSGFVRENVKQLADMSHAAGKEAMMFLGDQWIGTEPYKDGFDELGLDAVVGSIGDGTTTRMIADIPGVKYTEGRFLPYFFPDTFYEGNDPSIEGLDNWRKARRAILRSPISRMGYGGYLSLAAKFPKFVDTVTHIANEFRDIHDRTGGVAAEGELNVAILNSWGKMRSWMAFTVAHALPNKQTYSYYGILESLSGMRVNVRFISFDDVLAHGIDSDIDVIINGGPVDTAFTGGDVWTNPKLVETVRAWVRGGGAFVGVGEPSSAPRFQTGRFFQLADVIGVDEERYQTLSVDKYFPPVVPDHFITADVPVDPAAREAWEQAGYRIPLSGCGGGQSIKPLGGIDFGEPVLNTYPVNENVTLLRADGGQVQLATNDYGKGRGVYISGLPYSAANARLLERVLFYASHNEDKYAAWSSSNPECEVAHFPEQGLYCVINNTDQPQKTTVTLADGTTEDFDLPDSGIAWREA,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O.O=P(O)(O)O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O.O=P(O)(O)O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O.O=P(O)(O)O>>CC(O)=N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.812913356642856,,,s_28331dccad3aff757c897b72,test
catpreddb_kcat_kcat_0ed9fbf5bd2e0c,catpred_iteration1_kcat,kcat,O00763,O00763,MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQRNGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGTGTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSVAGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKLPELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGKRISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQVQSEIPGSPIFLMKLAQHARHLTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIRENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C([O-])O.[H+],CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C([O-])O.[H+],CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C([O-])O.[H+]>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.0718820073061257,,,s_2f44ab60f356ab1568187475,test
catpreddb_kcat_kcat_0edd7cea357dfe,catpred_iteration1_kcat,kcat,Q9WY06,Q9WY06,MKKLTVYLATTNPHKVEEIKMIAPEWMEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFMEEHSYKEKMRTILKMLEGKDRRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDPFFIPDGYDKTFGEIPHLKEKISHRSKAFRKLFSVLEKILESENR,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O>>O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.2713768718940746,,,s_6bd796007fbd75e266556426,test
catpreddb_kcat_kcat_0f2c8c2d92ff29,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.0681858617461616,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_0f2e2ecb060586,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.1366771398795441,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_0f866664b5382c,catpred_iteration1_kcat,kcat,P53004,P53004,MNAEPERKFGVVVVGVGRAGSVRMRDLRNPHPSSAFLNLIGFVSRRELGSIDGVQQISLEDALSSQEVEVAYICSESSSHEDYIRQFLNAGKHVLVEYPMTLSLAAAQELWELAEQKGKVLHEEHVELLMEEFAFLKKEVVGKDLLKGSLLFTAGPLEEERFGFPAFSGISRLTWLVSLFGELSLVSATLEERKEDQYMKMTVCLETEKKSPLSWIEEKGPGLKRNRYLSFHFKSGSLENVPNVGVNKNIFLKDQNIFVQKLLGQFSEKELAAEKKRILHCLGLAEEIQKYCCSRK,C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.9768083373380665,,,s_11342393ff618e3c41413bb9,test
catpreddb_kcat_kcat_0fb9430a2e7552,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCC1CCCC(=O)O1.O,CCCCC1CCCC(=O)O1.O,CCCCC1CCCC(=O)O1.O>>CCCCC(O)CCCC(=O)O,public_strict_iteration1_fulltrue_msa,1.7134905430939424,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_0fc23453f2ac8d,catpred_iteration1_kcat,kcat,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,C1=NC=C2NCCN=C2N1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=O,C1=NC=C2NCCN=C2N1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=O,C1=NC=C2NCCN=C2N1.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=O>>N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O.O.c1ncc2c(n1)=NCCN=2,public_strict_iteration1_fulltrue_msa,0.4265112613645752,,,s_11464cac78fa396921bed3a7,test
catpreddb_kcat_kcat_0fcf6032ba1667,catpred_iteration1_kcat,kcat,A0A0M3KL39,A0A0M3KL39,SNAMKDFHFDAISAFENYEIEKMRDGHVVVTTKVVNSSLNYYGNAHGGYLFTLCDQISGLVVISLGLDGVTLQSSINYLKAGKLDDVLTIKGECVHQGRTTCVMDVDITNQEGRNVCKATFTMFVTGQRSEERRVRI,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,0.8129133566428556,,,s_f51e5d7b971b5266c68cae6b,test
catpreddb_kcat_kcat_0fd7ae011e5839,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)nc1O.O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)nc1O.O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)nc1O.O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.5185139398778875,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_0fe14aeded0dd9,catpred_iteration1_kcat,kcat,P16549,P16549,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYPDFPFPEDYPNYVPNSHFLEYLRMYANQFNLLKCIQFKTKVCSVTKHEDFNTTGQWDVVTLCEGKQESAVFDAVMVCTGFLTNPYLPLDSFPGINTFKGQYFHSRQYKHPDIFKDKSVLVVGMGNSGTDIAVEASHLAKKVFLSTTGGAWVISRVFDSGYPWDMVFMTRFQNMFRNSLPTPIVNWLIAKKMNSWFNHANYGLIPEDRIQLREPVLNDELPGRIITGKVLIKPSIKEVKENSVVFNSSPEEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAVIGLIKPLGSLLPTGDTQARWAVRVLKGVNKLPPSSVMIQEVNTRKENKPSGFGLCYCKALQSDYIAYIDELLTYIDAKPNMFSLLLTDPHLALTIFFGPCTPYQFRLTGPGKWEGARNAIMTQWDRTFKVTKTRIVKESPSPFASLLKLFSFLALLVAIFQIFL,Cn1ccnc1S.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],Cn1ccnc1S.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],Cn1ccnc1S.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>Cn1cc[nH]c1=S=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,3.325925955771466,,,s_7a9fca776fcca4adfbef8491,test
catpreddb_kcat_kcat_0ff600c7032ac6,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCC[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,0.9100905455940682,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_0fff627faf332f,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,-1.913640169325252,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_1013a6f097c35c,catpred_iteration1_kcat,kcat,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_d45caf713d065ae4220c2800,test
catpreddb_kcat_kcat_101e6e335e7968,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.0,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_102432cd6e4042,catpred_iteration1_kcat,kcat,P0A862,P0A862,MSQTVHFQGNPVTVANSIPQAGSKAQTFTLVAKDLSDVTLGQFAGKRKVLNIFPSIDTGVCAASVRKFNQLATEIDNTVVLCISADLPFAQSRFCGAEGLNNVITLSTFRNAEFLQAYGVAIADGPLKGLAARAVVVIDENDNVIFSQLVDEITTEPDYEAALAVLKA,Cc1cc(C[C@H](N)C(=O)O)ccc1O.OO,Cc1cc(C[C@H](N)C(=O)O)ccc1O.OO,Cc1cc(C[C@H](N)C(=O)O)ccc1O.OO>>Cc1cc(C[C@H](N)C(=O)O)cc(O)c1O.O,public_strict_iteration1_fulltrue_msa,1.880813592280792,,,s_d2d36757009aee3099233bfa,test
catpreddb_kcat_kcat_103d7f3d034fd0,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O>>C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.0791812460476249,,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_10566b6fccea64,catpred_iteration1_kcat,kcat,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,-0.4814860601221125,,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_kcat_kcat_10644293b5b17d,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-2.3279021420642825,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_1085ec658cf29c,catpred_iteration1_kcat,kcat,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.437750562820388,,,s_85471f35fb7860385479be86,test
catpreddb_kcat_kcat_10978e01fcfeac,catpred_iteration1_kcat,kcat,Q45515,Q45515,MTKLIKNGTIVTATDIYEADLLIQDGKIAVIGRNLDESGAEVIDATGCYVFPGGIDPHTHLDMPFGGTVTKDDFESGTIAAAFGGTTTIIDFCLTNKGEPLKKAIETWHNKATGKAVIDYGFHLMISEITDDVLEELPKVIEEEGITSFKVFMAYKDVFQADDGTLYRTLVAAKELGALVMVHAENGDVIDYLTKKALEDGHTDPIYHALTRPPELEGEATGRACQLTELAGSQLYVVHVSCAQAVEKIAEARNKGLNVWGETCPQYLVLDQSYLEKPNFEGAKYVWSPPLREKWHQEVLWNALKNGQLQTLGSDQCSFDFKGQKELGRGDFTKIPNGGPIIEDRVSILFSEGVKKGRITLNQFVDIVSTRIAKLFGLFPKKGTIAVGADADLVIFDPTVERVISAETHHMAVDYNPFEGMKVTGEPVSVLCRGEFVVRDKQFVGKPGYGQYVKRAKYGALMADQDVVKMS,O.OC1=NC(O)=NC1,O.OC1=NC(O)=NC1,O.OC1=NC(O)=NC1>>N=C(O)NCC(=O)O,public_strict_iteration1_fulltrue_msa,1.7708520116421442,,,s_b9b722591a44bf1589514ef5,test
catpreddb_kcat_kcat_10bdf29edf6692,catpred_iteration1_kcat,kcat,B3Y9H7,B3Y9H7,MELDKEEPEKPLPFTLRRFCISEDFGFLLPNPLTELPDDYRPWMEIASNLPQLIESCQLRARVDKMPLLSCQSLKSYREQHLAHLVLSFITMGYVWQGGEKNTVQVLPRNLALPFVEVSQSLGLPAILVHSDFVLVNWKKKNPDGPLEIGNLDTIVSLPGGDSLKGFILVTWLVEKAAVPGIKALVQAVNAILQSKEDSLCQAMQQLAGSIDEMTWALRQMHDYVDPAIFYAVIRIFLSGWKDNSAMPEGLIYEGISAEPLKYSGGSAAQSTALQVFDELLGIHHNKQSAAFLHRMRNYMPPLHKAFIEEIRAAPSLRQHILSSENSQLYGAYNKCVTALVELRTHHIIIVTKYIITAAANAKANRGKPDQQLGHLPGPPQSLEKRGTGGSGILSFLKSVRDTTKEAMINRGI,NC(CC(=O)c1ccccc1NC=O)C(=O)O.O=O,NC(CC(=O)c1ccccc1NC=O)C(=O)O.O=O,NC(CC(=O)c1ccccc1NC=O)C(=O)O.O=O>>NC(CC(=O)c1ccccc1NC=O)C(=O)O,public_strict_iteration1_fulltrue_msa,4.343526753097717,,,s_47e4fbf0a2f31494ff8e26c0,test
catpreddb_kcat_kcat_10d3dcef58c989,catpred_iteration1_kcat,kcat,P26263,P26263,MSEITLGKYLFERLKQVNVNTIFGLPGDFNLSLLDKIYEVDGLRWAGNANELNAAYAADGYARIKGLSVLVTTFGVGELSALNGIAGSYAEHVGVLHVVGVPSISAQAKQLLLHHTLGNGDFTVFHRMSANISETTSMITDIATAPSEIDRLIRTTFITQRPSYLGLPANLVDLKVPGSLLEKPIDLSLKPNDPEAEKEVIDTVLELIQNSKNPVILSDACASRHNVKKETQKLIDLTQFPAFVTPLGKGSIDEQHPRYGGVYVGTLSKQDVKQAVESADLILSVGALLSDFNTGSFSYSYKTKNVVEFHSDYVKVKNATFLGVQMKFALQNLLKVIPDVVKGYKSVPVPTKTPANKGVPASTPLKQEWLWNELSKFLQEGDVIISETGTSAFGINQTIFPKDAYGISQVLWGSIGFTTGATLGAAFAAEEIDPNKRVILFIGDGSLQLTVQEISTMIRWGLKPYLFVLNNDGYTIEKLIHGPHAEYNEIQTWDHLALLPAFGAKKYENHKIATTGEWDALTTDSEFQKNSVIRLIELKLPVFDAPESLIKQAQLTAATNAKQ,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>CC=O.O=C=O,public_strict_iteration1_fulltrue_msa,0.964259630196849,0.4653828514484182,,s_fc2e5bb92d746c2c343d298a,test
catpreddb_kcat_kcat_11011107c770bd,catpred_iteration1_kcat,kcat,Q81ST8,Q81ST8,MSGLHILAFGAHADDVEIGMAGTIAKYTKQGYEVGICDLTEADLSSNGTIELRKEEAKAAARIMGVKTRLNLAMPDRGLYMKEEYIREIVKVIRTYKPKLVFAPYYEDRHPDHANCAKLVEEAIFSAGIRKYMPEVPPHRVESFYHYMINGFHKPNFCIDISEYVSQKVEALEAYESQFSTGSDGVKTPLTEGYVETVVAREKMFGKEVGVLYAEGFMSKKPVLLHADLIGGCK,CC(=O)NC1C(O)OC(CO)C(O)C1O.O,CC(=O)NC1C(O)OC(CO)C(O)C1O.O,CC(=O)NC1C(O)OC(CO)C(O)C1O.O>>CC(=O)O.NC1C(O)OC(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.4814860601221125,,,s_bd9cd0da3bac4689a91c75df,test
catpreddb_kcat_kcat_11028e8a47e526,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.266701966884088,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_11055d197b8fc4,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1.O,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1.O,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1.O>>CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O.OCc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.481442628502305,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_112e3eaa1f8ac5,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC(C(=O)C1=O)C2(C)C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC(C(=O)C1=O)C2(C)C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC(C(=O)C1=O)C2(C)C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.6866362692622934,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_116b923261a171,catpred_iteration1_kcat,kcat,A0A1W6ALG8,A0A1W6ALG8,MTRARITIDRDFTIADVPRRLFGSFVEHMGRCVYTGIFEPGHPQADERGFRRDVLQLVKELGPTVVRYPGGNFVSGYLWEDGVGPVDQRPRRLDGAWHTIETNAFGLHEFVEWAGEAGVEVMEAVNLGTRGVEEARALVEYANHPGGTYWSDLRRRNGAADPFDIRLWCLGNELDGPWQIGHKTAHEYGRLAQETAKAMRLVDPTIELVAVGSSNRQMPTFGTWEHTVLTHAYEEVDYISMHAYYQERDGDAASFLAEGVDMDAFIDGVIATIDAVKAAGKHRKQVDISFDEWNVWDQDRYNDHEAREIEAAGWREHPRLIEDTYDVADAVVVGTLLHSLLRHGDRVRIANQAQLVNVIAPIRSEEGGPAWRQSIFWPFARMARLAQGRILRLAVDSSQTSTRKFGDVDAIDAAATWDEASGTIALFVANRSLEEAGDVTVDLRGLAATAIRSAEVLTVPEGGDRRSANVADDQDRVGLVPLRDAGIADGAVRATLPPMSWAVIVLDAATA,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.175511813363448,,,s_558d5688a0b97b4357ca1b78,test
catpreddb_kcat_kcat_119e9cfc11d3c6,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CC(=O)CN.O.O=O,CC(=O)CN.O.O=O,CC(=O)CN.O.O=O>>CC(=O)C=O.N.OO,public_strict_iteration1_fulltrue_msa,0.1643528557844371,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_11cf2a030709a9,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,COc1ccc2c(CC(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1.O,COc1ccc2c(CC(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1.O,COc1ccc2c(CC(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1.O>>COc1ccc2c(CC(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)O)cc(=O)oc2c1.N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O,public_strict_iteration1_fulltrue_msa,3.835056101720116,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_11eead70a4cefe,catpred_iteration1_kcat,kcat,P00909,P00909,MMQTVLAKIVADKAIWVEARKQQQPLASFQNEVQPSTRHFYDALQGARTAFILECKKASPSKGVIRDDFDPARIAAIYKHYASAISVLTDEKYFQGSFNFLPIVSQIAPQPILCKDFIIDPYQIYLARYYQADACLLMLSVLDDDQYRQLAAVAHSLEMGVLTEVSNEEEQERAIALGAKVVGINNRDLRDLSIDLNRTRELAPKLGHNVTVISESGINTYAQVRELSHFANGFLIGSALMAHDDLHAAVRRVLLGENKVCGLTRGQDAKAAYDAGAIYGGLIFVATSPRCVNVEQAQEVMAAAPLQYVGVFRNHDIADVVDKAKVLSLAAVQLHGNEEQLYIDTLREALPAHVAIWKALSVGETLPAREFQHVDKYVLDNGQGGSGQRFDWSLLNGQSLGNVLLAGGLGADNCVEAAQTGCAGLDFNSAVESQPGIKDARLLASVFQTLRAY,O=C(O)c1ccccc1NC1OC(COP(=O)(O)O)C(O)C1O,O=C(O)c1ccccc1NC1OC(COP(=O)(O)O)C(O)C1O,O=C(O)c1ccccc1NC1OC(COP(=O)(O)O)C(O)C1O>>O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],public_strict_iteration1_fulltrue_msa,1.6020599913279625,-2.2292727856262085,,s_a0443e96d9e4599d626ac4e5,test
catpreddb_kcat_kcat_11f51402b371de,catpred_iteration1_kcat,kcat,Q10SX6,Q10SX6,MARGVSYVSAAQLVPMLRDPRIAVVDVRDEERIYDAHIAGSHHYASDSFGERLPELAQATKGKETLVFHCALSKVRGPSCAQMYLDYLSEADEDSDVKNIMVLERGFNGWELSGRPVCRCKDAPCKGVCS,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-0.7958800173440752,,,s_9378482e2518ffcd1f779199,test
catpreddb_kcat_kcat_11fa74d81cb872,catpred_iteration1_kcat,kcat,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O>>O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.3654879848908996,,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_kcat_kcat_120c330e503e98,catpred_iteration1_kcat,kcat,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,CC(=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O>>C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.1760912590556811,,,s_7b891238f481ee6cd9721941,test
catpreddb_kcat_kcat_12182ee26283c6,catpred_iteration1_kcat,kcat,D6XZ22,D6XZ22,MHEIGEHLTTNTGWDIIKNRYEAAQAITEGSNFMIGNGFMGYRGTFAEDGKDAYAACIVTDTWDKADGKWEELSTVPNALLTLLHVDGEPFIMSEEAASFERTLDLSQGVTSRKVSQRMKNGATITIHEEKFASYRKKHAVLMKYTVESDQDTDAVLDTGIDYDVWSINGDHLQGHHYFSHPTGDGVTAKTVSYEDTVTVVETCSLDADASEEDYQNPDGSGRTFSLSLEAGKPVTLEKAMIIYSSNDVDNPQDEALLEAKHMQSYEEEKAANRLEWDNLWSHYDVTIQNNIIDQVALRFNIYHAIIATPVHKSLPIGARGLSCQAYQGAAFWDQEIYNMPMYLYSNPEIARNILKYRHRTLDGARRKAKRLGYEGAYYAWISGKTGDELCPDFFFKDVLSGRDIRNHFNDWQIHISPDIAYAVKKYHQVTGDDAFIRDYGAEMIFEIARFLASHAVYKPMRGRYEFMRVQGPDEYHENVDNNAFTNHQAMFTLQAADELLQTLDEKTLSAVKEKIGLSDDEISLWRDMLANTYVPKPDKHGIIEQFDGYYDLETIIPAKKVTERLIKEDEYYGYPNGVTVRTQCIKQADVIQLFVLHPHLYDRKTVELNYEFYEPRTLHFSSLSPSSYAIVAAQIDKVEEAYRNFRKSVMIDLLNTNEAVSGGTFIGGIHTAANGASWQMVVNGFGGLSVHGDDIHLSPRLPDAWDGYTFKAIVKGQTLEVDVTKEQITITNKSEDRKPLTLHIFGEKSVLDSERITKSR,O=P(O)(O)O.OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O.OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O.OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OCC(O)CO,public_strict_iteration1_fulltrue_msa,1.977723605288848,,,s_a552d0eac025e054561f5816,test
catpreddb_kcat_kcat_122c91b3876326,catpred_iteration1_kcat,kcat,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,O.[H]/N=C(/N)SCCCCN,O.[H]/N=C(/N)SCCCCN,O.[H]/N=C(/N)SCCCCN>>NC(N)=O.NCCCCS,public_strict_iteration1_fulltrue_msa,4.079181246047625,,,s_58345ae90df4d9185ef408b3,test
catpreddb_kcat_kcat_124b83bd59e5b0,catpred_iteration1_kcat,kcat,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.NCCCC=O.O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.NCCCC=O.O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.NCCCC=O.O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NCCCC(=O)O.[H],public_strict_iteration1_fulltrue_msa,3.8819549713396007,,,s_5f171a39f788d95d16fb2f10,test
catpreddb_kcat_kcat_124d332c747fa2,catpred_iteration1_kcat,kcat,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,-0.6575773191777937,,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_kcat_kcat_12704d8464cb43,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,O.O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O.O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O.O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12>>,public_strict_iteration1_fulltrue_msa,2.8260748027008264,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_127a5cf377df38,catpred_iteration1_kcat,kcat,F7ZG00,F7ZG00,MLDSMIGSDLTIDDVRAAHDRIKPYIHETPILTSSYFNALTGAELFFKCENFQKAGAFKVRGASNAVFGLSDEMAEKGVATHSSGNHALSLSYAAGRRGIPCHVVMPRTAPEAKKAAVRGYGGIITECEPSTTSREAVFAEVQAATGAEFVHPYNDPRVIAGQATCSLEMLSQVENMDAVIAPIGGGGMISGTCLTLSNLAPKIEIYAAEPDQADDAARSFRAGHIIADDAPVTVADGLKVPLKENTWHFVSSFVTDVLTASEQEIIDAMKLTWERMKIVIEPSCAVPMATILRNPEVFRGKRVGVVITGGNVDLDKLPWTLG,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>N[C@H](CO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.3096301674258988,1.591064607026499,,s_1e31150c482918f1b6a2c3a9,test
catpreddb_kcat_kcat_129479ebf55171,catpred_iteration1_kcat,kcat,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.0128372247051722,,,s_85471f35fb7860385479be86,test
catpreddb_kcat_kcat_129af210fa07ba,catpred_iteration1_kcat,kcat,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.845098040014257,,,s_27531fb3688217415c49ec38,test
catpreddb_kcat_kcat_12ae91fab6f4e4,catpred_iteration1_kcat,kcat,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)CC(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)CC(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)CC(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.6812412373755872,,,s_feb69b7c7de35df748b92a04,test
catpreddb_kcat_kcat_12e704b7635798,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC(C)C[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O>>N=C(N)NCCCC(N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.7558748556724917,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_12e85b30c96481,catpred_iteration1_kcat,kcat,P00175,P00175,MLKYKPLLKISKNCEAAILRASKTRLNTIRAYGSTVPKSKSFEQDSRKRTQSWTALRVGAILAATSSVAYLNWHNGQIDNEPKLDMNKQKISPAEVAKHNKPDDCWVVINGYVYDLTRFLPNHPGGQDVIKFNAGKDVTAIFEPLHAPNVIDKYIAPEKKLGPLQGSMPPELVCPPYAPGETKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSGANDEVTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATALCKLGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQIQWYQLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKFSNTKAGPKAMKKTNVEESQGASRALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIGVSGVVLSNHGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRRGTDVLKALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRLLGVTSIAELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFEDA,CC(O)C(=O)O,CC(O)C(=O)O,CC(O)C(=O)O>>CC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.2174839442139063,0.0105988581902619,,s_5872b9939ee3ecd548482387,test
catpreddb_kcat_kcat_13053e411a2535,catpred_iteration1_kcat,kcat,Q9UVQ2,Q9UVQ2,MSRFQSLFFFVLVSLTAVANAAIGPVADLTLTNAQVSPDGFAREAVVVNGITPAPLITGNKGDRFQLNVIDQLTNHTMLKTSSIHWHGFFQQGTNWADGPAFVNQCPIASGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPHASLYDIDNDDTVITLADWYHVAAKLGPRFPFGSDSTLINGLGRTTGIAPSDLAVIKVTQGKRYRFRLVSLSCDPNHTFSIDNHTMTIIEADSINTQPLEVDSIQIFAAQRYSFVLDASQPVDNYWIRANPAFGNTGFAGGINSAILRYDGAPEIEPTSVQTTPTKPLNEVDLHPLSPMPVPGSPEPGGVDKPLNLVFNFNGTNFFINDHTFVPPSVPVLLQILSGAQAAQDLVPEGSVFVLPSNSSIEISFPATANAPGFPHPFHLHGHAFAVVRSAGSSVYNYDNPIFRDVVSTGQPGDNVTIRFETNNPGPWFLHCHIDFHLDAGFAVVMAEDTPDTKAANPVPQAWSDLCPIYDALDPSDL,COc1cc(/C=C/C(=O)O)cc(OC)c1O.O=O,COc1cc(/C=C/C(=O)O)cc(OC)c1O.O=O,COc1cc(/C=C/C(=O)O)cc(OC)c1O.O=O>>COC1=CC(/C=C/C(=O)O)=CC(OC)C1=O.O,public_strict_iteration1_fulltrue_msa,1.7226339225338123,,,s_d45fcdab7810d2b63f6ed638,test
catpreddb_kcat_kcat_13090e92caa9dc,catpred_iteration1_kcat,kcat,N0DP12,N0DP12,MARIGIHSFVWSASSAQSELERTLANTRDAGFDLIEFSYLDPADVDIGRLAKRIADLGLGVAISIGLPADGDISSADKAVAARGVEILNQTIALTRDLGGRKVAGILSAGHGLQVEAPTRDQWNRSAAALAKVAETAKAAGVTLNLEIVNRFESNLLNTAAQGLAFIEDTGSDNIFLHLDTFHMNIEEADVGLAIRHAAGKIGYVHIGESHRGFLGTGNIDFAAIFDALTAIGYADDLSFESFSSEIVDENLSKKTAIWRNLWTDNMALAKHARAFIGLGLETARRKAELVSARHKP,OCC1(O)OC[C@H](O)[C@@H]1O,OCC1(O)OC[C@H](O)[C@@H]1O,OCC1(O)OC[C@H](O)[C@@H]1O>>OCC1(O)OC[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.6575773191777937,2.463892988985908,,s_00e3b0bef8c1907ff732396c,test
catpreddb_kcat_kcat_1316aed5bf3e6e,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCOc1ccc(N)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCOc1ccc(N)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCOc1ccc(N)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCOc1ccc(N=C(C)O)cc1,public_strict_iteration1_fulltrue_msa,-1.408935392973501,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_132469e431a174,catpred_iteration1_kcat,kcat,P97852,P97852,MASPLRFDGRVVLVTGAGGGLGRAYALAFAERGALVVVNDLGGDFKGVGKGSSAADKVVEEIRRRGGKAVANYDSVEAGEKLVKTALDTFGRIDVVVNNAGILRDRSFSRISDEDWDIIQRVHLRGSFQVTRAAWDHMKKQNYGRIIMTASASGIYGNFGQANYSAAKLGLLGLANTLVIEGRKNNIHCNTIAPNAGSRMTETVMPEDLVEALKPEYVAPLVLWLCHESCEENGGLFEVGAGWIGKLRWERTLGAIVRKRNQPMTPEAVRDNWVKICDFSNASKPKSIQESTGGIIEVLHKIDSEGISQNHTGQVASADASGFAGVVGHKLPSFSSSYTELQCIMYALGVGASVKNPKDLKFVYEGSADFSCLPTFGVIVAQKSLMSGGLAEVPGLSINFAKVLHGEQYLELYKPLPRSGELKCEAVIADILDKGSGIVIVMDVYSYSGKELICYNQFSVFVVGSGGFGGKRTSEKLKAAVAVPSRPPDAVLRDTTSLNQAALYRLSGDSNPLHIDPSFASIAGFEKPILHGLCTFGFSARHVLQQFADNDVSRFKAIKVRFAKPVYPGQTLQTEMWKEGNRIHFQTKVQETGDIVISNAYVDLVPTSGVSAQTPSEGGALQSALVFGEIGRRLKDVGREVVKKVNAVFEWHITKNGNVAAKWTIDLKNGSGEVYQGPAKGSADTTITISDEDFMEVVLGKLNPQNAFFSGRLKARGNIMLSQKLQMILKDYAKL,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>C[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.3617278360175928,,,s_9becf2a8fe0eaa406b93aa54,test
catpreddb_kcat_kcat_13332c1bf778d7,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.257678574869185,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_13395894b7e448,catpred_iteration1_kcat,kcat,A8Q3I7,A8Q3I7,MLQEIGAWPVWQQALTFLVGGLALIVGINVLVQVLVPRNKSLPPMVFHWVPVVGSAITYGMDPYRFFFNCREKYGDVFTFKLFGRNVTVALGPKGSNLVFNGRLTQVSAEEAYTSLTTPVFGKGVVYDVPNAVLMEQKRFVKSGLSMENFRMYVTQIESEVKDFINNDAAFLPLQKGATSVTVDIFNVFSEITILTASRTLQGKEVRESLDKTFAKLYHDLDSGFTPINFVIPNLPLPNNFRRDRAQRLMSDFYLGIIKKRREGNTEGTEHDMISALMEQSYKNGRNINDREIAHMMIALLMAGQHTSSATGSWAMLRLASRPEIIEELYEEQKRVYSDGTGGFAPLDYDIQKSSVPVLDAVIRETLRLHPPIHSIMRKVKSDMVVPPTLAAPISSKGSRDETYVIPKGHYVIAAPGVSQVDPKIWEDASRFDPHRWLGDKANVMNQTDDAQEDFGWGMVSTGANSPYLPFGAGRHRCIGEQFAYLQLGTIISTFVRAFDWRLETKLPAPDYTSMVVLPTQPANLVFTPRKNKA,C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C.O=O,C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C.O=O,C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C.O=O>>O.O=CO,public_strict_iteration1_fulltrue_msa,-1.0457574905606752,,,s_f75b3d4434514f1803ffdf0f,test
catpreddb_kcat_kcat_137b13ea9a2f12,catpred_iteration1_kcat,kcat,Q93NG6,Q93NG6,MTVTSQVKPEDEMLNWGRLILDGVSYSDMVGARDRPKEITWFDYWMSLANEYEQEAERKVALGHDLSAGELLMSAALCAQYAQFLWFDERRQKGQARKVELYQKAAPLLSPPAERHELVVDGIPMPVYVRIPEGPGPHPAVIMLGGLESTKEESFQMENLVLDRGMATATFDGPGQGEMFEYKRIAGDYEKYTSAVVDLLTKLEAIRNDAIGVLGRSLGGNYALKSAACEPRLAACISWGGFSDLDYWDLETPLTKESWKYVSKVDTLEEARLHVHAALETRDVLSQIACPTYILHGVHDEVPLSFVDTVLELVPAEHLNLVVEKDGDHCCHNLGIRPRLEMADWLYDVLVAGKKVAPTMKGWPLNG,C[NH2+]CCCC(=O)c1ccc(O)nc1O.O,C[NH2+]CCCC(=O)c1ccc(O)nc1O.O,C[NH2+]CCCC(=O)c1ccc(O)nc1O.O>>CNCCCC(=O)[O-].Oc1cccc(O)n1,public_strict_iteration1_fulltrue_msa,2.898725181589493,,,s_a3726f2264e0a116d65fe266,test
catpreddb_kcat_kcat_137ee5133b597e,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1.O,Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1.O,Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1.O>>Cc1c(CO)cccc1-c1ccccc1,public_strict_iteration1_fulltrue_msa,-0.3565473235138126,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_13914fc55d5247,catpred_iteration1_kcat,kcat,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc(O)cc2c(C(=O)O)c(O)ccc12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc(O)cc2c(C(=O)O)c(O)ccc12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cc(O)cc2c(C(=O)O)c(O)ccc12>>COc1cc(C)c2ccc(O)c(C(=O)O)c2c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.9393021596463884,,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_kcat_kcat_13950a8be21816,catpred_iteration1_kcat,kcat,Q9WYX9,Q9WYX9,MNILVTGGAGFIGSHVVDKLIENGYGVIVVDNLSSGKVENLNRNALFYEQSIEDEEMMERIFSLHRPEYVFHLAAQASVAISVREPARDAKTNIIGSLVLLEKSIKYGVKKFIFSSTGGAIYGENVKVFPTPETEIPHPISPYGIAKYSTEMYLEFFAREYGLKYTVLRYANVYGPRQDPYGEAGVVAIFTERMLRGEEVHIFGDGEYVRDYVYVDDVVRANLLAMEKGDNEVFNIGTGRGTTVNQLFKLLKEITGYDKEPVYKPPRKGDVRKSILDYTKAKEKLGWEPKVSLEEGLKLTVEYFRKTLE,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,4.166637294231805,0.987968183967732,,s_0b4bddf78d15da0e3e880812,test
catpreddb_kcat_kcat_13a6354b01264d,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)O.[H],public_strict_iteration1_fulltrue_msa,-1.2218487496163564,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_13af9c0401414f,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.8860566476931635,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_13ce2b778015f2,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Oc1c(O)c2ccccc2c2ccccc12,public_strict_iteration1_fulltrue_msa,4.068185861746161,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_13dd80e9d68ded,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21.O,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21.O,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21.O>>,public_strict_iteration1_fulltrue_msa,-1.42021640338319,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_13eb42045bc59c,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.9344984512435676,,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_140af4256d3a0d,catpred_iteration1_kcat,kcat,P09367,P09367,MAAQESLHVKTPLRDSMALSKVAGTSVFLKMDSSQPSGSFKIRGIGHLCKMKAKQGCKHFVCSSVVQIWGSRMRGRSHSGDEQPHVRSQALLPDTPSPLTAGNAGMATAYAARRLGLPATIVVPSTTPALTIERLKNEGATVEVVGEMLDEAIQLAKALEKNNPGWVYISPFDDPLIWEGHTSLVKELKETLSAKPGAIVLSVGGGGLLCGVVQGLREVGWEDVPIIAMETFGAHSFHAAVKEGKLVTLPKITSVAKALGVNTVGAQTLKLFYEHPIFSEVISDQEAVTAIEKFVDDEKILVEPACGAALAAVYSGVVCRLQAEGRLQTPLASLVVIVCGGSNISLAQLQALKAQLGLNELLK,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O>>CCC(=O)C(=O)[O-].N,public_strict_iteration1_fulltrue_msa,2.4578818967339924,2.0542063955224874,,s_992ea70b163f023a55cf755b,test
catpreddb_kcat_kcat_14307323e2fb01,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,O=C(O)Cc1ccc(O)c(O)c1.O=O,O=C(O)Cc1ccc(O)c(O)c1.O=O,O=C(O)Cc1ccc(O)c(O)c1.O=O>>O.O=C(O)CC1=CC(=O)C(=O)C=C1,public_strict_iteration1_fulltrue_msa,0.7708520116421442,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_145dec170f10cc,catpred_iteration1_kcat,kcat,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)CO.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)CO,public_strict_iteration1_fulltrue_msa,1.255272505103306,,,s_451a9f71732397357584e474,test
catpreddb_kcat_kcat_14f2080f3115af,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)c(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)c(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)c(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)Cc1ccc(O)c(O)c1,public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_1532c79a80238f,catpred_iteration1_kcat,kcat,I6YDN6,I6YDN6,MTHSQRRDKLKAQIAASGLDAMLISDLINVRYLSGFSGSNGALLVFADERDAVLATDGRYRTQAASQAPDLEVAIERAVGRYLAGRAGEAGVGKLGFESHVVTVDGLDALAGALEGKNTELVRASGTVESLREVKDAGELALLRLACEAADAALTDLVARGGLRPGRTERQVSRELEALMLDHGADAVSFETIVAAGANSAIPHHRPTDAVLQVGDFVKIDFGALVAGYHSDMTRTFVLGKAADWQLEIYQLVAEAQQAGRQALLPGAELRGVDAAARQLIADAGYGEHFGHGLGHGVGLQIHEAPGIGVTSAGTLLAGSVVTVEPGVYLPGRGGVRIEDTLVVAGGTPKMPETAGQTPELLTRFPKELAIL,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.O>>CSCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,1.255272505103306,,,s_5ea59b234100d6ac10dc0230,test
catpreddb_kcat_kcat_159003a1d39297,catpred_iteration1_kcat,kcat,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,3.334453751150931,,,s_1f9dafe578e10e0347c193ca,test
catpreddb_kcat_kcat_15a9f84f3dc56a,catpred_iteration1_kcat,kcat,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O,public_strict_iteration1_fulltrue_msa,0.1664301138432827,,,s_55a74685ac62fb5c184ff381,test
catpreddb_kcat_kcat_15bd5584028797,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.6334684555795866,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_15ef2280d073bb,catpred_iteration1_kcat,kcat,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccccc1)C(=O)O.O,N[C@@H](Cc1ccccc1)C(=O)O.O,N[C@@H](Cc1ccccc1)C(=O)O.O>>CC(=O)C(=O)O.N,public_strict_iteration1_fulltrue_msa,-3.096910013008056,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_161400e1f3cd1d,catpred_iteration1_kcat,kcat,Q72G76,Q72G76,MLFPTMKRFLRGLVWLLGLFLFLALLLGFSGYLYLRASLPQGEGRIALEGLSAPVEVVRDGKGVVRIRAATLKDLFFAQGFVHAQERLWQMEFQRRVGQGRLSEILGEATLPQDRFLRTWGFYRAARAAYGKLYPEEKEAVDAYAAGVNAFLASGAPLPPEFRLLGFRPEPWTGPDVLVWAKMMSYDLSGNWEEELKRHRLLARGVSPKRLLELKPPYPEDAPTVLRAEDLKLPLKREEAPSALLRMAPPRFMEASNNWVVAGSRTETGKPFLANDPHLALQAPSLWFLMALEAPGLRAIGATLPGLPGVVIGRNERIAWGVTNVGADVEDLYLLEEVEGRGYRYKGRVVPYGVREEVIRVKGGREEVLKVRETVYGPVITDALEDPPKTPMALRWVSLDEEDHILMAFLGVNRAGNWEEFKKALLPYSAPSQNFVYADVEGNIGYIAPGKFPVRKEGHTGMVPVPGNGEWDWLGYRRPEEWPQAFNPARGYLVTANHKVTPKGFPYALTYDWAEPYRAERIEELLLAKEKLSLEDMKAIQQDQKSLLYRDFRPVLELLTPLSEGARAWRDRLLAWDGTMAPGSEEALVFALWYTELTRLPQREVGEAYWDEPRYLLKALKEGDKNCDQPETEYRESCLDYAALALERALDRKEALGARAWGEVHRARFPHAVLTHTPLKRLSDREVAFGGDRYTVNVGPFDPETLAMGHGPSYRQIVDLSDMEGSLFVHPMGQSGHFLSRHYADLLPLWQRGDYLPMRFGAPLGRTLLLEPLPSP,CCCCCCCC(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O,CCCCCCCC(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O,CCCCCCCC(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O>>CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O.CCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,0.7481880270062004,,,s_0302b035d94cd196362ff89e,test
catpreddb_kcat_kcat_1651721a00af9a,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,public_strict_iteration1_fulltrue_msa,-1.2676062401770316,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_1652d048922a39,catpred_iteration1_kcat,kcat,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,O=P(O)(O)O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.Oc1ncnc2[nH]cnc12,public_strict_iteration1_fulltrue_msa,0.2304489213782739,,,s_8b157d74d30d5eae406928c9,test
catpreddb_kcat_kcat_168755e66dea82,catpred_iteration1_kcat,kcat,P9WIE5,P9WIE5,MPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGAAFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRGGAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKTFGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPDPMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGWKSSYGTGTGKDAITSGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAGAGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDMGPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAASSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSFADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGKGNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVNLLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKFVQDFVAAWDKVMNLDRFDVR,COc1cc(-c2ccc(N)c(OC)c2)ccc1N.OO,COc1cc(-c2ccc(N)c(OC)c2)ccc1N.OO,COc1cc(-c2ccc(N)c(OC)c2)ccc1N.OO>>COC1=C/C(=C2\C=CC(=N)C(OC)=C2)C=CC1=N.O,public_strict_iteration1_fulltrue_msa,1.6901960800285136,,,s_84f37f5b06ab457abf65a56c,test
catpreddb_kcat_kcat_16a52c82baeb05,catpred_iteration1_kcat,kcat,Q8GMG0,Q8GMG0,MALTQVETEIVPVSVDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNIPIYGVTTGYGEMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIVAARLNTLAKGHSAVRPIILERLAQYLNEGITPAIPEIGSLGASGDLAPLSHVASTLIGEGYVLRDGRPVETAQVLAERGIEPLELRFKEGLALINGTSGMTGLGSLVVGRALEQAQQAEIVTALLIEAVRGSTSPFLAEGHDIARPHEGQIDTAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRSEIYLQKAYSLRAIPQVVGAVRDTLYHARHKLRIELNSANDNPLFFEGKEIFHGANFHGQPIAFAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAGAQYPATALVAENRTIGPASTQSVPSNGDNQDVVSMGLISARNARRVLSNNNKILAVEYLAAAQAVDISGRFDGLSPAAKATYEAVRRLVPTLGVDRYMADDIELVADALSRGEFLRAIARETDIQLR,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>NC(CC(=O)O)c1ccc(O)c(O)c1,public_strict_iteration1_fulltrue_msa,-2.1739251972991736,0.1875207208364631,,s_ed7ffc280e1a91db2c848542,test
catpreddb_kcat_kcat_16a9a6aab5f44a,catpred_iteration1_kcat,kcat,K0JCW6,K0JCW6,MRYRQVHLDFHTSEHISDIGRNFSKKNFQEMLQLGHVNSITVFAKCHHGWAYFPSATNEIHPRLDFDLLGAQIEAAHEIGVKVPIYISVGFDEKLAWEKPQWLMRDEADRMNWVDSFMKPGYHQFCLNTPYLDLVIEQVQEVVRKYDGDGIFLDIVGERTCYCTTCLKQMQADGLDPHNKEDVIANGRRIYANYTTRIREAIDAIKPGLPVFHNAGHIHQGRRDLMGMNSHLELESLPTGGWGYDHFPLSARYAQPTGFHFLGMTGKFHTFWGEFGGYKHPNALRYETALSLANGARCSIGDQLHPGGQMDRATYELIGKAYAEVEAKEAWCVNAVNLADVALLTVEAAGVQQESGAMYSGKVDMGAVRMLLEGKILFDIVDLESDWSGYKVLILPDSIVMKDTILPKVEAFLAAGGKVLASGRSGLNVELTRQMLPLGFTDSGLNPFRPDYFRPLCDGMANLGEAAYVMYGDGRRIELTDGTELGRREDPYFNRQAFRFCSHQHAPSSEQEGGPGMVESAQGIYIAWNVFEDYATKGSLILKEMVLFALRRLLGEQITLKTTLPAQGVTTLQHQAAERRYINHLLYASPVKRGERVEIIEDMIPLQQVEVQLQLPVTDVKRVYLAPQMTEIEFKASGGDVQFTVPQLECHQMVVVEYNE,C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O.O,C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O.O,C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O.O>>C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.0453229787866576,,,s_ef86715f7d65e1c9bfe31e6d,test
catpreddb_kcat_kcat_16ab636c554492,catpred_iteration1_kcat,kcat,A0A4Y5R087,A0A4Y5R087,MAEVKLYGFWPSPFSHRIIWALKLKGVEYEYIEEDLSNKSESLLKYNPVYKKTPVLVHGDKPIAESLVILEYIEETWPENPLLPKDPYERAMARFWIQYGVDTVAALRAFYLGSGEELEKAAKELSECLKILEEQGLGDKKFFGGESMNLVDISYGALGYWLAAVEEAKGVTVLKPSTLPRLHAWAKNLDELPVVKENIPASDKMLAYVTAAMNRPAKN,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>Cl.N[C@@H](CCC(O)=N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.150756439860309,,,s_b54e176c31b3fbcb3621d554,test
catpreddb_kcat_kcat_16ded467795e7a,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O)[C@@H](C)CC.O,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O)[C@@H](C)CC.O,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O)[C@@H](C)CC.O>>CCOC(=O)CN=C(O)[C@@H](N)CC(C)C.CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.6334684555795865,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_16ff611cdf0eef,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>O[C@@H]1[C@@H](O)[C@H](O)OC[C@H]1O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.431798275933005,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_1722d625b24c10,catpred_iteration1_kcat,kcat,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.812913356642856,,,s_140aab011c2ec3f979562c0c,test
catpreddb_kcat_kcat_173f84777cb7f7,catpred_iteration1_kcat,kcat,Q8I3X4,Q8I3X4,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,O=P(O)(O)O.O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,O=P(O)(O)O.O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,O=P(O)(O)O.O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O>>O=P(O)(O)OC1OC(CO)C(O)C1O.O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.4199557484897578,,,s_8b157d74d30d5eae406928c9,test
catpreddb_kcat_kcat_1759c71568073f,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O>>CC(=O)O.CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(O[C@@H]2O[C@H](CO)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.7737864449811935,1.0413926851582251,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_17a37ddf41afb2,catpred_iteration1_kcat,kcat,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O>>O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,4.786751422145561,-1.839155950010787,,s_c914da2418e4f7c204592eba,test
catpreddb_kcat_kcat_17b17a93792e3f,catpred_iteration1_kcat,kcat,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.O,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.O,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.O>>CCCCO.C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.6493348587121419,,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_kcat_kcat_17b2b499982443,catpred_iteration1_kcat,kcat,A0A1E1FNX1,A0A1E1FNX1,MLRRASLPHRKTTRRSFVAAALLLAFAAPAAPAVAADSPGRSAVESPAPTTRQPLGTKTLHLVDTSRPDPWKPSAGHRELMVSLWYPALPSRSDRAPYMSAALSKAMLGSEVLSGVRTHAVAGARPAPVARPLVVLSPGFQMSRLTLTALGEDLASRGYAVAALDHTYEAPVEFPGGRVEPCLICEKPDLNAVVRNRAQDIRFLLDRLTGPGGELRVDRHRIAVVGHSIGGASAVETMREDPRVGAAVNLDGDFFLDPPAKGLNRPVLLLGAQRGRDTEDSRGDWERNWPHLTGWKRWLDVPDGGHMTFTDVPWIVDRFGRPAQIPPEQVPGQFGTLGGARATALTRAYVAAFLDRQLRGRPSPLLDRPSTAYPEVTILK,CCCCO.COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1,CCCCO.COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1,CCCCO.COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1>>CCCCOC(=O)C=Cc1cc(OC)c(O)c(OC)c1.CO,public_strict_iteration1_fulltrue_msa,-3.096910013008056,,,s_11303bbb87beaeedd47209d2,test
catpreddb_kcat_kcat_17e073c0cf054a,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O,O,O>>CC1OC(O)C(O)C(O)C1O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.2027606873932,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_17f2297904d3a1,catpred_iteration1_kcat,kcat,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O.O=C(O)/C=C(/CCCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCCC(=O)O)C(=O)O>>O=C(O)CCC[C@H](C(=O)O)[C@@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.1804560644581313,,,s_d45e89fa98a913150cf54b5f,test
catpreddb_kcat_kcat_17f8b7f947f153,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(O)C1C(=O)N2C(C(=O)O)=C(SCCNC=N)CC12.O,CC(O)C1C(=O)N2C(C(=O)O)=C(SCCNC=N)CC12.O,CC(O)C1C(=O)N2C(C(=O)O)=C(SCCNC=N)CC12.O>>,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_182126f6385f93,catpred_iteration1_kcat,kcat,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,NCCC(=O)Nc1ccc([N+](=O)[O-])cc1.O,NCCC(=O)Nc1ccc([N+](=O)[O-])cc1.O,NCCC(=O)Nc1ccc([N+](=O)[O-])cc1.O>>NCCC(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.484299839346786,,,s_0c3e58e911f51068e88986ab,test
catpreddb_kcat_kcat_1870d6794f4991,catpred_iteration1_kcat,kcat,P0ACB4,P0ACB4,MKTLILFSTRDGQTREIASYLASELKELGIQADVANVHRIEEPQWENYDRVVIGASIRYGHYHSAFQEFVKKHATRLNSMPSAFYSVNLVARKPEKRTPQTNSYARKFLMNSQWRPDRCAVIAGALRYPRYRWYDRFMIKLIMKMSGGETDTRKEVVYTDWEQVANFAREIAHLTDKPTLK,CC1=CC(=O)c2ccccc2C1=O.CC1=CC(=O)c2ccccc2C1=O.Cc1cc(O)c2ccccc2c1O,CC1=CC(=O)c2ccccc2C1=O.CC1=CC(=O)c2ccccc2C1=O.Cc1cc(O)c2ccccc2c1O,CC1=CC(=O)c2ccccc2C1=O.CC1=CC(=O)c2ccccc2C1=O.Cc1cc(O)c2ccccc2c1O>>C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C)C(C=C)=C1C,public_strict_iteration1_fulltrue_msa,3.0052663329727687,,,s_60b34ca61aa42f742a37649f,test
catpreddb_kcat_kcat_18753b1288dc31,catpred_iteration1_kcat,kcat,O59570,O59570,MNPFHDLEPGPNVPEVVYALIEIPKGSRNKYELDKETGLLKLDRVLYTPFHYPVDYGIIPRTWYEDGDPFDIMVIMREPTYPLTIIEARPIGLFKMIDSGDKDYKVLAVPVEDPYFKDWKDISDVPKAFLDEIAHFFKRYKELEGKEIIVEGWEGAEAAKREILRAIEMYKEKFGKKE,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O>>O=P(O)(O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,3.536053155159205,,,s_8477267e1adbba3ee1d0eb20,test
catpreddb_kcat_kcat_18a55fea4924d5,catpred_iteration1_kcat,kcat,Q76IQ9,Q76IQ9,MKYGYFDNDNREYVITRPDVPAPWTNYLGTEKFCTVISHNAGGYSFYNSPEYNRVTKFRPNATFDRPGHYVYLRDDDSGDYWSISWQPVAKSLDEAQYQIRHGLSYSKFQCDYNGIHARKTLFVPKGEDAEIWDVVIKNTSDQVRTISAFSFVEFSFSHIQSDNQNHQMSLYSAGTAYRPGLIEYDLYYNTDDFEGFYYLASTFDPDSYDGQRDRFLGLYRDEANPLAVEQGRCSNSAQTCYNHCGSLHKQFTLQPGEEIRFAYILGIGKGNGERLREHYQDVANIDAAFAAIKAHWDERCAKFQVKSPNQGLDTMINAWTLYQAETCVVWSRFASFIEVGGRTGLGYRDTAQDAISVPHANPEMTRKRIVDLLRGQVKAGYGLHLFDPDWFDPEKEDVAPSKSPTVVPTPSDEDKIHGIKDTCSDDHLWLIPTICKYVMETGETSFFDQMIPYADGGEASVYEHMKAALDFSAEYVGQTGICKGLRADWNDCLNLGGGESSMVSFLHFWALQEFIDLAKFLGKDQDVNTYTEMAANVREACETHLWDDEGGWYIRGLTKNGDKIGTAQQQEGRVHLESNTLAVLSGLASQERGEQAMDAVDEHLFSPYGLHLNAPSFSTPNDDIGFVTRVYQGVKENGAIFSHPNPWAWVAETKLGRGDRAMKFYDALNPYNQNDIIEKRIAEPYSYVQFIMGRDHQDHGRANHPWLTGTSGWAYFAVTNYILGVQSGFTGLSVDPCIPSDWPGFEVTRQWRGATYHIQVENPDHVSKGVKSITLNGAPIQGRIPPQAQGSDNQVVVVLG,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O.O=P(O)(O)O,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O.O=P(O)(O)O,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O.O=P(O)(O)O>>CC(=O)NC1C(O)OC(CO)C(O)C1O.CC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.8573324964312685,,,s_d24d15431a8db96d17b3098d,test
catpreddb_kcat_kcat_18a98ede32b9ce,catpred_iteration1_kcat,kcat,C5BN23,C5BN23,MRNPLRYTLLAFLLGHLGIAQSAPLTADQDHAQLLHVLGIENLRRGADGNTDSPFAANTDEAKANTALDSLPPLLTSVSGQAIASATDWEANRPALLNTFSQEIYGYVPGGAPELHWKAGSTTPIDDSGTSAIRQHFTSTLVHPENAALNLSLNFTLVLPKSNKPVPVVVVMSFDPGIWERFRDRMPAERYAQIQADNARWREQVVNAGWGYAEIIPTEFQADSGDGLSQGIIGFVNNGKPRNPTDWGALRAWAWSASQVLTYLQTDSRVAADRISVHGHSRFGKAALVAMAFDNRFAAGFISSSGEGGAKLWRRNFGEQVGNLAGAGEYHWMAGNFVKYAGPKKVNDIPVDAHQLLALCAPRPVLVSVGSQGESWVDPKGMLLAAYHATPAYALFGEQGVTQNELPAVGNGLLAGKLAFRQHEGGHTPAPNWETFITFATRQWASPNRLK,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O>>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.OCc1ccccc1,public_strict_iteration1_fulltrue_msa,2.12057393120585,,,s_21282d4f8da81a8e39870ab1,test
catpreddb_kcat_kcat_18f9ba938474f4,catpred_iteration1_kcat,kcat,A0A0D4C3L0,A0A0D4C3L0,MGYEKSGYRESDGIYDSSFPSIPTPRDIDVTTYCIFQQQYGDRVALIDAVTGAKLTYSELRSAIDSVAAGLAQSGVKQGDVVMICMPNSIHWPILLFGSLRIGAVVTTANPVGNVQEIGRQAKDSRTAYLITVPELCGKLASLNIPLVLNDMDSLGNKKQFHGAAFARFSELLKADRKKVPQVRIKEKDTATLLYSSGTTGASKGVILTHLNLVESINQRMVADPRSFQVAEEVQIYGVIIPLFHVMGMMAICMPTLRKGDQMVVFPKFDLAEMLGAVQRFRITGLALVPPILVLLSKSPLVEKYDLSSLQLIGFGAAPAGDLSGVSKRFRGVYLRQGYGMTETASSGTGVPLEDVDYANKHNSCGLLVPNMQAKVVDVLTGKPLPPGKEGELWLRGLNVMKGYLNNEKATAETLDKDGWLHTGDLAKIDERGFVYIVDRLKELIKYKGFQVAPAELESILLSHSDIMDAAVVPFPDEEAGEIPVAFVVRRPGTTLTGNSIMEFVASKVSPYKKIRRVIFVDTIPKLESGKILRKELKSKLLPSSKL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.0757207139381184,,,s_a0b0bb48fa1855371fae3dab,test
catpreddb_kcat_kcat_190e13dd607bc3,catpred_iteration1_kcat,kcat,Q9C1V4,Q9C1V4,MASLVAGALCILGLTPAAFARAPVAARATGSLDSFLATETPIALQGVLNNIGPNGADVAGASAGIVVASPSRSDPNYFYSWTRDAALTAKYLVDAFIAGNKDLEQTIQQYISAQAKVQTISNPSGDLSTGGLGEPKFNVNETAFTGPWGRPQRDGPALRATALIAYANYLIDNGEASTADEIIWPIVQNDLSYITQYWNSSTFDLWEEVEGSSFFTTAVQHRALVEGNALATRLNHTCSNCVSQAPQVLCFLQSYWTGSYVLANFGGSGRSGKDVNSILGSIHTFDPAGGCDDSTFQPCSARALANHKVVTDSFRSIYAINSGIAEGSAVAVGRYPEDVYQGGNPWYLATAAAAEQLYDAIYQWKKIGSISITDVSLPFFQDIYPSAAVGTYNSGSTTFNDIISAVQTYGDGYLSIVEKYTPSDGSLTEQFSRTDGTPLSASALTWSYASLLTASARRQSVVPASWGESSASSVPAVCSATSATGPYSTATNTVWPSSGSGSSTTTSSAPCTTPTSVAVTFDEIVSTSYGETIYLAGSIPELGNWSTASAIPLRADAYTNSNPLWYVTVNLPPGTSFEYKFFKNQTDGTIVWEDDPNRSYTVPAYCGQTTAILDDSWQ,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.4955443375464486,,,s_5f0631374fe680a8b20d9d28,test
catpreddb_kcat_kcat_191936fbd6a965,catpred_iteration1_kcat,kcat,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.3187587626244128,,,s_874a36db5b07813dd2a06872,test
catpreddb_kcat_kcat_193e28273b95a1,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CSCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CSCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CSCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>CSCC[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.9800033715837464,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_1955373a5fbb57,catpred_iteration1_kcat,kcat,Q5JDG9,Q5JDG9,MKLDVIGIGNLNYDIIFTLERFPEFHEKINARGAHFGLGGAAANTISWLAHFGLKTGYIGAVGNDDVGEMHIKYFQGIGVDTGGIDVVEEPSGVAVAMVAGDDKRIVKYPGANLRRRFKPEYASRAKFLHLSSNPPELIEEAVNFASQRGIKVSLDIGEAPLPRELESKVDYLMMNEDEYRRKYGSLDPSLCRAKNLVVTLNGGGALVREGDNVFEVRGLSAKVVDSTGAGDSFDAGVIYGVLNGWSLLDSAKLGMLLAYLTVQKVGARSAIVPLEEVKRIAREVGLDLPFNRT,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.6857417386022635,,,s_f908f38bc94d284bc9412649,test
catpreddb_kcat_kcat_1956b65595f2f6,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.O=C(O)C1=C/C(=C/C=N\C(Cc2ccc(O)cc2)C(=O)O)CC(C(=O)O)N1.O=O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.O=C(O)C1=C/C(=C/C=N\C(Cc2ccc(O)cc2)C(=O)O)CC(C(=O)O)N1.O=O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.O=C(O)C1=C/C(=C/C=N\C(Cc2ccc(O)cc2)C(=O)O)CC(C(=O)O)N1.O=O>>NC(CC1=CC(=O)C(=O)C=C1)C(=O)O.O.O=C(O)C1=C/C(=C/C=N\C(Cc2ccc(O)c(O)c2)C(=O)O)CC(C(=O)O)N1,public_strict_iteration1_fulltrue_msa,1.5809249756756194,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_196a63390f9fa1,catpred_iteration1_kcat,kcat,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O.O=P(O)(O)OC[C@H](O)CO,O.O=P(O)(O)OC[C@H](O)CO,O.O=P(O)(O)OC[C@H](O)CO>>O=P(O)(O)O.OCC(O)CO,public_strict_iteration1_fulltrue_msa,-1.6989700043360187,,,s_38095aa1b1ee0421254bd92b,test
catpreddb_kcat_kcat_19751e38fda6a9,catpred_iteration1_kcat,kcat,B2Z9Y3,B2Z9Y3,MGNYLSISFFLLLCGITTAESQLFNSYLTLPSSCPAPDPALNYRPIIGIVSHPGDGATGRLSNATNVSYIAASYVKFAEMAGARVIPLIYTEPPQVLNQKLNLVNGIIFTGGWAKDGLYFDVIKGIFQKVLEKNDAGEHFPLLAICLGYELLTMIITNDNNILEEFSAASQASTVQFVENVNIEGTIFGRFPPVLLKKMSIDCLVMQNHHFGISPERFQVNKDLSSFFRVLTTSTDENNKVYVSTIQAQRYPIAAFQWHPEKNAFEWGSSRIPHSEDAIQVTTHVANYFISEARKSSNKPVAREVLDSLIYNNNPTYGGKAGKGYDEVYLFIPHSSSSSM,Nc1ccc(C(=O)N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1.O,Nc1ccc(C(=O)N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1.O,Nc1ccc(C(=O)N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1.O>>,public_strict_iteration1_fulltrue_msa,-0.0177287669604316,,,s_545eb204b224429b52bfc5e8,test
catpreddb_kcat_kcat_19852a96b5d540,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1OC[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1OC[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,1.0791812460476249,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_198a86c7af3aeb,catpred_iteration1_kcat,kcat,S4UPN4,S4UPN4,MIKGVLVSVLVVVSAVALGLYIDYNNAFTGTAPSPIMQWWGEGKPRLDDGIIKPFKINFPKELLDDLHHRLSNTRPFHPPLDDVGFQYGFNTEFLQTVLDFWRTKYSWEERQNYLNSLPQYTMETQGLQIHFIHVKPKNAKGLHVYPLLLVHGWPGSVREFYDIIPLLTTPREGQDFVFEVVAPSLPGYGFSQATTRHGLGPAQVAVVLRTLMKQLGHKRYYVQGGDWGSIIVTLLAQMTRGDRILGLHTNMAYVMPTTGMMAWQIIGSWYPSVIGDETEQKYVYPMSDHYSFLLEESGYLHLQATKPDTIGVALRDSPMGLAAYILEKFSTWTDRSWKSLKDGGLLKKFKLEALLDNVMIYWMTGTITTSMRLYSEHFNRTHRALGFDQAPVKVPTAIARFPNELANQPRCFLEKKFTNLVQVTDMPTGGHFAAFEEPKLLADDIWDFVSALHHKST,COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C.O,COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C.O,COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C.O>>,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_41ce9b4feddee416456112e0,test
catpreddb_kcat_kcat_199f7573c19564,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.C[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.505149978319906,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_19abfd37b041ae,catpred_iteration1_kcat,kcat,Q9SAH9,Q9SAH9,MLVDGKLVCVTGAGGYIASWIVKLLLERGYTVRGTVRNPTDPKNNHLRELQGAKERLTLHSADLLDYEALCATIDGCDGVFHTASPMTDDPETMLEPAVNGAKFVIDAAAKAKVKRVVFTSSIGAVYMNPNRDTQAIVDENCWSDLDFCKNTKNWYCYGKMLAEQSAWETAKAKGVDLVVLNPVLVLGPPLQSAINASLVHILKYLTGSAKTYANLTQVYVDVRDVALGHVLVYEAPSASGRYILAETALHRGEVVEILAKFFPEYPLPTKCSDEKNPRAKPYKFTTQKIKDLGLEFKPIKQSLYESVKSLQEKGHLPLPQDSNQNEVIIES,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)cc(OC)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)cc(OC)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)cc(OC)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.COc1cc(C=CC=O)cc(OC)c1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.322219294733919,,,s_b5f6d9163eaf383b66897a43,test
catpreddb_kcat_kcat_19c20cf6b3358b,catpred_iteration1_kcat,kcat,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.4456042032735975,,,s_6054a43023a3df240062cbaf,test
catpreddb_kcat_kcat_19c4626cacf032,catpred_iteration1_kcat,kcat,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.9943171526696368,,,s_172b558c15818a4aa109b980,test
catpreddb_kcat_kcat_19cd20b1db5376,catpred_iteration1_kcat,kcat,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-].[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,-0.0861861476162833,,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_kcat_kcat_19f7d25055d9c6,catpred_iteration1_kcat,kcat,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC=O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=CCO,public_strict_iteration1_fulltrue_msa,0.9637878273455552,,,s_451a9f71732397357584e474,test
catpreddb_kcat_kcat_19f9c23e3cde85,catpred_iteration1_kcat,kcat,P37666,P37666,MKPSVILYKALPDDLLQRLQEHFTVHQVANLSPQTVEQNAAIFAEAEGLLGSNENVNAALLEKMPKLRATSTISVGYDNFDVDALTARKILLMHTPTVLTETVADTLMALVLSTARRVVEVAERVKAGEWTASIGPDWYGTDVHHKTLGIVGMGRIGMALAQRAHFGFNMPILYNARRHHKEAEERFNARYCDLDTLLQESDFVCLILPLTDETHHLFGAEQFAKMKSSAIFINAGRGPVVDENALIAALQKGEIHAAGLDVFEQEPLSVDSPLLSMANVVAVPHIGSATHETRYGMAACAVDNLIDALQGKVEKNCVNPHVAD,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(=O)O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CO,public_strict_iteration1_fulltrue_msa,2.307496037913213,,,s_d75c553801007e38e2c3b60c,test
catpreddb_kcat_kcat_1a1a1df0d78e09,catpred_iteration1_kcat,kcat,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CCCCC.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CO,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_b4b031ed943af76041b4fd24,test
catpreddb_kcat_kcat_1a1fece068b2d0,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O>>CC(=O)O.CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.7781512503836436,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_1a2d54765e021a,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@@H](O)C(O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@@H](O)C(O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@@H](O)C(O)[C@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1OC(O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.721246399047171,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_1a3149bbf05172,catpred_iteration1_kcat,kcat,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,N[C@@H](CS)C(=O)O.OCCS,N[C@@H](CS)C(=O)O.OCCS,N[C@@H](CS)C(=O)O.OCCS>>N[C@@H](CSCCO)C(=O)O.S,public_strict_iteration1_fulltrue_msa,-0.0969100130080563,,,s_482422f32efc21500360d70c,test
catpreddb_kcat_kcat_1a4f0b69b0e296,catpred_iteration1_kcat,kcat,A0A2T3QJW3,A0A2T3QJW3,MRVFKKRLLTGCILSFLSAPLAAHVYQFIPSDNPTNDEPIEQGWNNYLSNSGYGEAVVNQGVDEWYVNGNDGRANWTITPTTELNNQATRYGWTLSTEMRVVSGGYITNYYANGQHRFLPIISLQNGNLVAEFEGRSGATILASGDDVHGYHKYDIVFHPGPNPTASFFFDGVLIKSDWQGHPSSQNMIAWGNGSSSQAGEAYYRSITFTISGDPVFSTPDRIPSLVTSSQTPGTVAIFAEKRMGGGDPGAVTNTNDIITRISKDYGRTWGPEVNLTEQINLNDEYDFSDPRPIYLPQQDTITVSYVRWPTDAAQNGDKIKPWMASGVFYSTYDVANDTWSAPINVSSHVKEKTLQIVGWSGSEFYSKSLDEISSQNSWSLQSKLKIYNGKDNDLVVANGTKQYKISFAVNENGLVAYLDDQNSAKLIRTTIQNIAGFINVAMDFDPVTQTAQLTIDDAVVGTLSGIPSADKHILFGQTNAAHDGRLHIANINLNVNGQRVIDYDAETLTDINPNEMNNTPESQGWSKHKSGRAYSFYGVASVNPGPGHGIELKHQTEVTGNNNGRIIYPAITLDKYFLNVASVFSDDQGVTWDMASHLPVPYRWLPNRLETLEPSETDIVELNNGDILLTARLDFNQTVNNINYGPRHQFISHDGGMTWHMPENYGYQQFSNLSKNTVDASITRFTESDGSNYLLFTNPIGDLANNSGRENLGLWMSFDEGASWQGPIQLVNGGSAYSDIYQLDNENAMVIVEDNSRKIRVLTVPVTKIKQLLQ,CC(O)=N[C@@H]1[C@@H](O)C[C@](Oc2ccc3c(C)cc(=O)oc3c2)(C(=O)O)O[C@H]1C(O)[C@H](O)CO.O,CC(O)=N[C@@H]1[C@@H](O)C[C@](Oc2ccc3c(C)cc(=O)oc3c2)(C(=O)O)O[C@H]1C(O)[C@H](O)CO.O,CC(O)=N[C@@H]1[C@@H](O)C[C@](Oc2ccc3c(C)cc(=O)oc3c2)(C(=O)O)O[C@H]1C(O)[C@H](O)CO.O>>CC(O)=N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@H]1C(O)[C@H](O)CO.Cc1cc(=O)oc2cc(O)ccc12,public_strict_iteration1_fulltrue_msa,1.6532125137753435,,,s_85a9e4b30e3e8e8e0bc3eb13,test
catpreddb_kcat_kcat_1a643e2cb9136b,catpred_iteration1_kcat,kcat,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C/C=C/C(=O)CC.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C/C=C/C(=O)CC.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C/C=C/C(=O)CC.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCC(=O)CC.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.5185139398778875,,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_kcat_kcat_1a7d54737a87ac,catpred_iteration1_kcat,kcat,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)Cc1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.863322860120456,,,s_948648651b98b58a650dd2ca,test
catpreddb_kcat_kcat_1aa2022b7a4ed3,catpred_iteration1_kcat,kcat,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,Cc1ncc(COP(=O)(O)O)c(C=O)c1O.N[C@@H](Cc1cccc(O)c1)C(=O)O,Cc1ncc(COP(=O)(O)O)c(C=O)c1O.N[C@@H](Cc1cccc(O)c1)C(=O)O,Cc1ncc(COP(=O)(O)O)c(C=O)c1O.N[C@@H](Cc1cccc(O)c1)C(=O)O>>Cc1ncc(COP(=O)(O)O)c(CN)c1O,public_strict_iteration1_fulltrue_msa,-2.571865205971211,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_1aa9a98d08eb6d,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.100370545117563,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_1ab915981c250d,catpred_iteration1_kcat,kcat,A0A2G9R735,A0A2G9R735,MTYVTWKLSGLPQHKVIGSGTNLDSARFRYLIAQKLGINTSSCHGYVLGEHGDSSVPIWSGVNVAGVALQSLNPDIGTDKDPENWKQVHKDVVASAYDVIRLKGYTNWAIGMSVADLAESILKNLSRVHPISTMVKGFYGIENEVFLSLPCVLNEQGLVQVVNQKLTDDEKAQLQKSAETLWSIQKDLKDL,CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,6.0,,,s_f5d3d61dabc4c3b6d6c5faa6,test
catpreddb_kcat_kcat_1ae656e0f0733f,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=COC(=O)CCC.O,C=COC(=O)CCC.O,C=COC(=O)CCC.O>>*CC(*)O.CCCC(=O)O,public_strict_iteration1_fulltrue_msa,3.414973347970818,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_1af603720cc1b6,catpred_iteration1_kcat,kcat,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CC1(C)[C@@H]2CC[C@@]1(C)[C@](C)(O)C2.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.408935392973501,,,s_75fd08e1a005c55cbd677978,test
catpreddb_kcat_kcat_1b3ebdccf1bfe7,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2>>Cc1cc(NS(=O)(=O)c2ccc(NCC3=Nc4c(O)nc(=N)[nH]c4NC3)cc2)no1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.9208187539523752,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_1b6872a0ba9a58,catpred_iteration1_kcat,kcat,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,N[C@H](CCC(=O)O)C(=O)O.O.O=O,N[C@H](CCC(=O)O)C(=O)O.O.O=O,N[C@H](CCC(=O)O)C(=O)O.O.O=O>>N.O=C(O)CCC(=O)C(=O)O.OO,public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_74cdd8566f34570e4d30f31c,test
catpreddb_kcat_kcat_1b8ebec9bd89a1,catpred_iteration1_kcat,kcat,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.361727836017593,,,s_140aab011c2ec3f979562c0c,test
catpreddb_kcat_kcat_1bbd830c0d505e,catpred_iteration1_kcat,kcat,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC.O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.0899051114393979,,,s_d45caf713d065ae4220c2800,test
catpreddb_kcat_kcat_1bc7d9664aadfb,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.8260748027008264,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_1bd604ab4b0620,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O>>,public_strict_iteration1_fulltrue_msa,3.8543060418010806,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_1be1802261b741,catpred_iteration1_kcat,kcat,Q9ZN18,Q9ZN18,MKRMLAEFEKIQAILMAFPHEFGDWAYCIEEARESFLHIIQTIAKHAKVLVCVHTNDTIGYETLKNLPGVEIARIDTNDTWARDFGAISVENHGVLECLDFGFNGWGLKYPSNLDNQVNFKLKHLGFLKHPLKTMPYILEGGSIESDGAGSILTNTQCLLEKNRNPHLNQNGIETMLKKELGAKQVLWYSYGYLKGDDTDSHTDTLARFLNKDTIVYSACEDENDEHYTALKKMQEELKTFKKLDGTPYKLIPLEIPKAVYNENQQRLPATYVNFLLCNNALIVPTYNDPNDTLILETLRQHTPLEVIGVDCNTLIKQHGSLHCVTMQLY,N=C(N)NCCCCN.NCCC[C@H](N)C(=O)O.O.O=P(O)(O)O,N=C(N)NCCCCN.NCCC[C@H](N)C(=O)O.O.O=P(O)(O)O,N=C(N)NCCCCN.NCCC[C@H](N)C(=O)O.O.O=P(O)(O)O>>N.N=C(O)NCCCC(N)C(=O)O.NCCCCN.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-1.0861861476162833,,,s_755d12fb6ba62f190eccbae9,test
catpreddb_kcat_kcat_1c12de30f7add2,catpred_iteration1_kcat,kcat,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>,public_strict_iteration1_fulltrue_msa,1.320146286111054,,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_kcat_kcat_1c29d452538678,catpred_iteration1_kcat,kcat,A1B5Y0,A1B5Y0,MKDMPAMPADTPSALLALAGEALPELESLQSRATEALRALVAPAGKPQPALLEQHQHAAHALSWLTTYVESIRQLSGWAGRLAEAGNLGRIEALILQIGLGEYLGQIAGGIPMSQTEFARLSDLELDWQPGEAAAKLMRGNTAPARAELARLMQDNHGRATFGATGLDEDLEMIRDQFRRYAEERVIPNAHEWHLKDQLIPMEIIEELAELGVFGLTIPEEFGGLGLSKASMVVVTEELSRGYIGVGSLGTRSEIAAELILCGGTEAQKAKWLPGLASGEILSTAVFTEPNTGSDLGSLRTRAVRDGEDWVVTGNKTWITHAQRTHVMTLLARTDPETTDWRGLSMFLAEKEPGTDDDPFPTPGMTGGEIEVLGYRGMKEYELGFDGFRIKGENLLGGEPGRGFKQLMETFESARIQTAARAVGVAQSAAEIGMRYAVDRKQFGKSLIEFPRVADKLAMMAVEIMIARQLTYFSAWEKDHGRRCDLEAGMAKLLGARVAWAAADNALQIHGGNGFALEYAISRVLCDARILNIFEGAAEIQAQVIARRLLD,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCC(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/C(=O)O,public_strict_iteration1_fulltrue_msa,-0.494850021680094,-0.8507808873446201,,s_06336288782a4555f90a1fa1,test
catpreddb_kcat_kcat_1c5a7cf57b3027,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCCC=O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCCC=O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCCC=O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CCCCC(=O)O.[H],public_strict_iteration1_fulltrue_msa,0.615950051656401,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_1c765bbec47ab2,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1cc(O)cc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1cc(O)cc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1cc(O)cc(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)Cc1cc(O)cc(O)c1,public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_1c850b3bd54dcd,catpred_iteration1_kcat,kcat,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-1.6020599913279625,,,s_6a41f9ca86cba24130c89784,test
catpreddb_kcat_kcat_1cd0c0f723ee3f,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1.O,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1.O,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1.O>>,public_strict_iteration1_fulltrue_msa,1.57978359661681,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_1cdac2fb71c343,catpred_iteration1_kcat,kcat,P37213,P37213,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O>>C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.1760912590556811,,,s_7b891238f481ee6cd9721941,test
catpreddb_kcat_kcat_1cee743eac6687,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC1OC(O)C(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1OC(C(O)CO)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,4.971275848738105,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_1d6aa5a0c3a2dc,catpred_iteration1_kcat,kcat,Q3SEZ6,Q3SEZ6,MSKLVRPHGGGELKPLLLTGDALSAEKARAASLPQLKMSSRETGDLIMMGIGGFTPLDGFMTKSDWQGVCDGYKMTNGLFWPIPITLSTDDESIKDGDELALVDAETGEIMGTMKVTDKYTIDKAHECMQVYKTTDMEHPGVKMVMAQGKYNLAGPVKVLSTGNFKEEYGEQFMTPAETRAKFEQMGWSRVAAFQTRNPMHRSHEYLAKIAIETMDGVLVHSLLGALKPGDIPAEVRSEAIATLIDNYFAPNTVIQAGYPLDMRYAGPREALLHALFRQNYGCSHLIVGRDHAGVGDYYGPFDAQKIFDEIPKGSLETVNMNIDWTFWCKKCGGMASQRTCPHTKDDRILLSGTKVRAMLSEGQDLPVEFSRPEVAKVLQKYYAGLSAEQNVKVELKGHSAA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=S(=O)([O-])[O-],Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=S(=O)([O-])[O-],Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=S(=O)([O-])[O-]>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.3654879848908996,,,s_a2d3076d9d34a37b59469d1b,test
catpreddb_kcat_kcat_1d852fabd78ce9,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.0,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_1da2c69c12803a,catpred_iteration1_kcat,kcat,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC1OC[C@@H](O)[C@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC1OC[C@@H](O)[C@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,0.7481880270062004,,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_kcat_kcat_1da49285c5bcd0,catpred_iteration1_kcat,kcat,Q7WG29,Q7WG29,MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLATNQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACRKPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGRKTLAQGGLPEGTRVCEDLAAVAEQLLQEA,O.O=P(O)(O)OC[C@@H](O)[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@@H](O)[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@@H](O)[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.O=P(O)(O)O[C@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.7708520116421442,,,s_f6b925754d8a6e851a8f041b,test
catpreddb_kcat_kcat_1dd48696be2840,catpred_iteration1_kcat,kcat,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,NCC(O)=N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=CO,NCC(O)=N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=CO,NCC(O)=N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=CO>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O.O=P(O)(O)OC[C@H]1O[C@@H](N=C(O)CN=CO)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.575187844927661,,,s_2925763e116557ae8a1c8b26,test
catpreddb_kcat_kcat_1e4c15b4bd1dc1,catpred_iteration1_kcat,kcat,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,O.O=P(O)(O)OC(CO)CO,O.O=P(O)(O)OC(CO)CO,O.O=P(O)(O)OC(CO)CO>>O=P(O)(O)O.OCC(O)CO,public_strict_iteration1_fulltrue_msa,1.6989700043360187,,,s_140aab011c2ec3f979562c0c,test
catpreddb_kcat_kcat_1e6449e5aeeabf,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCC(=O)C(=O)[O-].CCCCCCC(N)C(=O)O,CCC(=O)C(=O)[O-].CCCCCCC(N)C(=O)O,CCC(=O)C(=O)[O-].CCCCCCC(N)C(=O)O>>CCCCCCC(=O)C(=O)[O-].CC[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,2.397940008672037,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_1e73294335aace,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>C/C=C/C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,public_strict_iteration1_fulltrue_msa,-1.853871964321762,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_1e7ab8a7a26c70,catpred_iteration1_kcat,kcat,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,CSCC[C@H](N)C(=O)O.OCCS,CSCC[C@H](N)C(=O)O.OCCS,CSCC[C@H](N)C(=O)O.OCCS>>CS.N[C@@H](CCSCCO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.0453229787866574,,,s_482422f32efc21500360d70c,test
catpreddb_kcat_kcat_1e8d5ba462cc17,catpred_iteration1_kcat,kcat,P0AG18,P0AG18,MSSRNNPARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAHRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRGAA,Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>O=C(O)Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.1931245983544616,-1.6458915608525992,,s_c1004897da4bd8e576950e7c,test
catpreddb_kcat_kcat_1e96cb21640656,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>CCC(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,0.3159703454569177,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_1ef187665d8b6e,catpred_iteration1_kcat,kcat,A0A4Y5R9F4,A0A4Y5R9F4,MAPSIFSDEPQHGNTTKPYSHDPSASTPASSQQNGNTPHDQNGSSCVVDKKKGRHAGAGHKSILQSDALYQYVLETSVYPRENPYQRELREITEKHPWNLMTTPPDEGQFLMLLMKLINAKNTMELGVYTGYSLLSTALALPDDGKIIAMDINRENYELGAPVIEKAGLSHKVDFREGLILPQLDEMLLEERNLGFFDFIFVDADKDNYVKYHERLIKLVKVGGVIGYDNTLWNGSLVAPEDAPYPKYICHYRPFVLELNRVLAGDKRIEISQVPIGDGLTLCRRIK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21>>COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.8860566476931633,,,s_99bb8b4a9f1f4ed06cb0729c,test
catpreddb_kcat_kcat_1efa8f76e8a3a3,catpred_iteration1_kcat,kcat,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O.OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,O.OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,O.OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO>>OCC(O)C(O)C(O)C(O)CO.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.8860566476931633,,,s_05faba509306d0ae6d9f3eea,test
catpreddb_kcat_kcat_1f0107dcf4fda9,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(N)NCCC[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.6812412373755872,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_1f186968eceaa4,catpred_iteration1_kcat,kcat,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1.O>>N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.2405492482825995,,,s_205b4fb49279b335382e3627,test
catpreddb_kcat_kcat_1f27354b184f4e,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>CO.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.1870866433571444,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_1f4011470b9893,catpred_iteration1_kcat,kcat,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,1.0644579892269186,,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_kcat_kcat_1f49b14e61cee9,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.8325089127062364,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_1f5c1b0a760b88,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O>>Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.934498451243568,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_1f5cfc224e7e47,catpred_iteration1_kcat,kcat,F6IXY6,F6IXY6,MKVIVIGCTHAGTAAVNQILASNPETDVTIYERNDNVSFLSCGIALYLGGEVADPQGLFYSSPEQLAKLGANVHMQHDVTDVDTENHEITVTDLKTGESKKDYYDKLVVTTGSWPVIPPIDGIDSPNVYLCKNWTHAQSLWEAAKPAKRVIVIGGGYIGTELVEAYQKQGKEVTLIDGLPRILNKYLDKGFTDRVEKDFVDHGIKMALNQMVKGFSDDGKEVTVKTDKGSYTADMAILCVGFRPNTSLLKGKVDMNPNGSIKTNDYMQTSDPDIYGAGDSVAVHYNPTKKDAYIPLATNAVRQGTLVGLNIFKPTRKYMGTQSTSGLMLFGKTIVSSGMTLEHAQAEKVPAEAVTFEDNYRPEFMPTTKPVLMQLVYNPETREILGAQFMSEHDVSQSANVISVMIQNHNTIDDLGFVDMFFQPIYDRPFNYLNLLGQAAIAHAAEKVTE,N=C(O)C1=CN(Cc2ccccc2)C=CC1.O=O.[H+],N=C(O)C1=CN(Cc2ccccc2)C=CC1.O=O.[H+],N=C(O)C1=CN(Cc2ccccc2)C=CC1.O=O.[H+]>>N=C(O)c1ccc[n+](Cc2ccccc2)c1.O,public_strict_iteration1_fulltrue_msa,-0.7695510786217261,,,s_ff0e45f2a0a3549e1b2abf1d,test
catpreddb_kcat_kcat_1f97a3208daa6c,catpred_iteration1_kcat,kcat,K7NBW3,K7NBW3,MEKGDTHILVFPFPSQGHINPLLQLSKRLIAKGIKVSLVTTLHVSNHLQLQGAYSNSVKIEVISDGSEDRLETDTMRQTLDRFRQKMTKNLEDFLQKAMVSSNPPKFILYDSTMPWVLEVAKEFGLDRAPFYTQSCALNSINYHVLHGQLKLPPETPTISLPSMPLLRPSDLPAYDFDPASTDTIIDLLTSQYSNIQDANLLFCNTFDKLEGEIIQWMETLGRPVKTVGPTVPSAYLDKRVENDKHYGLSLFKPNEDVCLKWLDSKPSGSVLYVSYGSLVEMGEEQLKELALGIKETGKFFLWVVRDTEAEKLPPNFVESVAEKGLVVSWCSQLEVLAHPSVGCFFTHCGWNSTLEALCLGVPVVAFPQWADQVTNAKFLEDVWKVGKRVKRNEQRLASKEEVRSCIWEVMEGERASEFKSNSMEWKKWAKEAVDEGGSSDKNIEEFVAMLKQT,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,-0.3467874862246563,,,s_149cd835f6a77fca4008caab,test
catpreddb_kcat_kcat_1fc42ff67d1c2b,catpred_iteration1_kcat,kcat,Q72G76,Q72G76,MLFPTMKRFLRGLVWLLGLFLFLALLLGFSGYLYLRASLPQGEGRIALEGLSAPVEVVRDGKGVVRIRAATLKDLFFAQGFVHAQERLWQMEFQRRVGQGRLSEILGEATLPQDRFLRTWGFYRAARAAYGKLYPEEKEAVDAYAAGVNAFLASGAPLPPEFRLLGFRPEPWTGPDVLVWAKMMSYDLSGNWEEELKRHRLLARGVSPKRLLELKPPYPEDAPTVLRAEDLKLPLKREEAPSALLRMAPPRFMEASNNWVVAGSRTETGKPFLANDPHLALQAPSLWFLMALEAPGLRAIGATLPGLPGVVIGRNERIAWGVTNVGADVEDLYLLEEVEGRGYRYKGRVVPYGVREEVIRVKGGREEVLKVRETVYGPVITDALEDPPKTPMALRWVSLDEEDHILMAFLGVNRAGNWEEFKKALLPYSAPSQNFVYADVEGNIGYIAPGKFPVRKEGHTGMVPVPGNGEWDWLGYRRPEEWPQAFNPARGYLVTANHKVTPKGFPYALTYDWAEPYRAERIEELLLAKEKLSLEDMKAIQQDQKSLLYRDFRPVLELLTPLSEGARAWRDRLLAWDGTMAPGSEEALVFALWYTELTRLPQREVGEAYWDEPRYLLKALKEGDKNCDQPETEYRESCLDYAALALERALDRKEALGARAWGEVHRARFPHAVLTHTPLKRLSDREVAFGGDRYTVNVGPFDPETLAMGHGPSYRQIVDLSDMEGSLFVHPMGQSGHFLSRHYADLLPLWQRGDYLPMRFGAPLGRTLLLEPLPSP,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O.O=C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,0.1931245983544616,,,s_0302b035d94cd196362ff89e,test
catpreddb_kcat_kcat_1fef5ab225fd5c,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O.O>>,public_strict_iteration1_fulltrue_msa,1.3560258571931227,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_201089536a8e96,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1.O,CC(O)=Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1.O,CC(O)=Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1.O>>CC(=O)O.N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1,public_strict_iteration1_fulltrue_msa,2.292256071356476,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_20124b8e5397bc,catpred_iteration1_kcat,kcat,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C1OC(C(O)CO)C(O)=C1O.O=O,O=C1OC(C(O)CO)C(O)=C1O.O=O,O=C1OC(C(O)CO)C(O)=C1O.O=O>>O.O=C1OC(C(O)CO)C(O)=C1O,public_strict_iteration1_fulltrue_msa,1.230448921378274,,,s_561d25f18146a50ef54647cd,test
catpreddb_kcat_kcat_206c07777ff7e1,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.9542425094393248,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_20aa751dc3f27a,catpred_iteration1_kcat,kcat,P00634,P00634,MKQSTIALALLPLLFTPVTKARTPEMPVLENRAAQGDITAPGGARRLTGDQTAALRDSLSDKPAKNIILLIGDGMGDSEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTGKPDYVTDSAASATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQDATPAALVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARADVTLGGGAKTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQQKPLLGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMTDKAIELLSKNEKGFFLQVEGASIDKQDHAANPCGQIGETVDLDEAVQRALEFAKKEGNTLVIVTADHAHASQIVAPDTKAPGLTQALNTKDGAVMVMSYGNSEEDSQEHTGSQLRIAAYGPHAANVVGLTDQTDLFYTMKAALGLK,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.055378331375,,,s_2fbd9b2222475cdfbac6ed3c,test
catpreddb_kcat_kcat_20ac0fe2dcf195,catpred_iteration1_kcat,kcat,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O.OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O>>OCC1OC(O)(CO)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.1818435879447725,,,s_05faba509306d0ae6d9f3eea,test
catpreddb_kcat_kcat_20ae357d1bc8ab,catpred_iteration1_kcat,kcat,A0A345GNZ1,A0A345GNZ1,MSGALSGLSCLVTGASGFVGLRILQMLLEEEERLGEVRAMDKTLSGRLRHTCDRFQSKIQVKLLEGDVRDAEFLDRCCQGVDLVIHTAAVIDTTGHINKETLMSINLHGTERLLESCVQNNVRYFIYTSSMEVVGPNTRGDPIVNGDEEMVYEGKLGFYYGESKRRAEQAVLRANGRELHNGGSLVTCSLRPTYIFGEGSQFLQMHLDQAFQNGGVFKRTSKKEALVNPVYVGNVAWGHILAARAMKDPDSVKKIAGKFYYICDDTPHMSYSDLNHALGKELGLGVEDRLLMPYPLFYFMASMMELVSFLLRPFFRFVPPLTRHLAILLNTTFTFSYKKIQSDMGYKPFYKWEEAKRLTSTWMDTILLQRKEANKKK,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,0.4471580313422192,,,s_3442d3f3a6685ec90140aefe,test
catpreddb_kcat_kcat_20d11fa94e75e0,catpred_iteration1_kcat,kcat,P48774,P48774,MSSKSMVLGYWDIRGLAHAIRMLLEFTDTSYEEKRYICGEAPDYDRSQWLDVKFKLDLDFPNLPYLMDGKNKITQSNAILRYIARKHNMCGDTEEEKIRVDIMENQIMDFRMQLVRLCYNSNHENLKPQYLEQLPAQLKQFSLFLGKFTWFAGEKLTFVDFLTYDVLDQNRIFEPKCLDEFPNLKAFMCRFEALEKIAAFLQSDRFFKMPINNKMAKWGNKCLC,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>Cl.NC(CCC(=O)NC(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.8388490907372553,,,s_bd727304c93802f68dc97dae,test
catpreddb_kcat_kcat_20e94f7453557a,catpred_iteration1_kcat,kcat,H3ZMH5,H3ZMH5,MFADHVFHVVDTHTEGEPTRIVLSGVNVKGEDIIEKREYFKEHYDWIRTALLHEPRGHSDQFGAVLVPSDIADFGVIYMDTSGYLDMCGHATMGVATVLVELGIIEKKEPYTTVKLETPAGLVEAKAKVKGGVVKEVTVVDVPSFYVGEFVIEYPGRGKIKVDVAFGGNFYVIADARDLGLRVRREYIKELIPTALKLIKVANEQIKVQHPRKGVQNRINLAMLTDEPEREDSDGKNVVIWGEGSVDRSPCGTGSASRVATLYSKGILKEGDIFVHESILGTQFRIKIVGTTKIGEYTAIIPEITGSAYITKISQDIISKNDPLWKGFLLR,O=C(O)[C@@H]1CCCN1,O=C(O)[C@@H]1CCCN1,O=C(O)[C@@H]1CCCN1>>O=C(O)[C@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.4440447959180762,0.08278537031645,,s_439f7553837807af96852cc3,test
catpreddb_kcat_kcat_20ffbcf08fd959,catpred_iteration1_kcat,kcat,Q8N4J0,Q8N4J0,MQRRRRPPPPTSRLPEGCGGGGGGSEEVEVQFSAGRWGSAAAVSAAAAAATRSTEEEEERLEREHFWKIINAFRYYGTSMHERVNRTERQFRSLPANQQKLLPQFLLHLDKIRKCIDHNQEILLTIVNDCIHMFENKEYGEDGNGKIMPASTFDMDKLKSTLKQFVRDWSETGKAERDACYQPIIKEILKNFPKERWDPSKVNILVPGAGLGRLAWEIAMLGYACQGNEWSFFMLFSSNFVLNRCSEINKYKLYPWIHQFSNNRRSADQIRPIFFPDVDPHSLPPGSNFSMTAGDFQEIYSECNTWDCIATCFFIDTAHNVIDYIDTIWKILKPGGIWINLGPLLYHFENLANELSIELSYEDIKNVVLQYGFKVEVEKESVLSTYTVNDLSMMKYYYECVLFVVRKPQ,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>Cn1cncc1CC(NC(=O)CCN)C(=O)O.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.3308194664958366,,,s_480b955f6b56cd604a59a8c8,test
catpreddb_kcat_kcat_21064e5b102f5a,catpred_iteration1_kcat,kcat,P34736,P34736,MSSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAAVATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLGDYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRLSALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGNETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKADIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSVLPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEGVAERAAKTVAFYKGKDVVSPLRSAF,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.4292676664331685,,,s_a8398d2297f36238cd95c90d,test
catpreddb_kcat_kcat_2123746bab0453,catpred_iteration1_kcat,kcat,Q6KZ98,Q6KZ98,MYGKNLISELREKEIFKRLHHVEFYVSSAKTWSYFMNRGLGFKTVAYAGPETGIRDKISYVMSQGTARISFTSSMNDDSYISNHVKKHGDGVKDIALEVDDLDEAKSLIEKYGTKVSKINEIKDGNGKIRTAEIKTYGETVHTLIETGDYNGVFMPGYEESEINSKNTGIKKIDHIVGNVYEGEMDSWVNFYIEKLGFEHLITFDDKDIRTDYSALRSKVVKYNDDIVFPINEPAKGLRKSQIEEYLDYYRSEGVQHIALLTDDIIKTVSMMEENGIEFLKTPGSYYESLSSRIGSIDEDLNEIEKHNILVDRDENGYLLQIFTKPVTDRPTFFFEVIQRKGARSFGNGNFKALFEAIEREQAKRGNL,O=C(O)C(=O)Cc1ccc(O)cc1.O=O,O=C(O)C(=O)Cc1ccc(O)cc1.O=O,O=C(O)C(=O)Cc1ccc(O)cc1.O=O>>O=C(O)Cc1cc(O)ccc1O.O=C=O,public_strict_iteration1_fulltrue_msa,0.99563519459755,,,s_9e11ee2e8ac62916e80120ec,test
catpreddb_kcat_kcat_21274c422899ce,catpred_iteration1_kcat,kcat,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O>>C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,5.1964525417033895,,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_kcat_kcat_2159f611bb027d,catpred_iteration1_kcat,kcat,A0A2T3QJW3,A0A2T3QJW3,MRVFKKRLLTGCILSFLSAPLAAHVYQFIPSDNPTNDEPIEQGWNNYLSNSGYGEAVVNQGVDEWYVNGNDGRANWTITPTTELNNQATRYGWTLSTEMRVVSGGYITNYYANGQHRFLPIISLQNGNLVAEFEGRSGATILASGDDVHGYHKYDIVFHPGPNPTASFFFDGVLIKSDWQGHPSSQNMIAWGNGSSSQAGEAYYRSITFTISGDPVFSTPDRIPSLVTSSQTPGTVAIFAEKRMGGGDPGAVTNTNDIITRISKDYGRTWGPEVNLTEQINLNDEYDFSDPRPIYLPQQDTITVSYVRWPTDAAQNGDKIKPWMASGVFYSTYDVANDTWSAPINVSSHVKEKTLQIVGWSGSEFYSKSLDEISSQNSWSLQSKLKIYNGKDNDLVVANGTKQYKISFAVNENGLVAYLDDQNSAKLIRTTIQNIAGFINVAMDFDPVTQTAQLTIDDAVVGTLSGIPSADKHILFGQTNAAHDGRLHIANINLNVNGQRVIDYDAETLTDINPNEMNNTPESQGWSKHKSGRAYSFYGVASVNPGPGHGIELKHQTEVTGNNNGRIIYPAITLDKYFLNVASVFSDDQGVTWDMASHLPVPYRWLPNRLETLEPSETDIVELNNGDILLTARLDFNQTVNNINYGPRHQFISHDGGMTWHMPENYGYQQFSNLSKNTVDASITRFTESDGSNYLLFTNPIGDLANNSGRENLGLWMSFDEGASWQGPIQLVNGGSAYSDIYQLDNENAMVIVEDNSRKIRVLTVPVTKIKQLLQ,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)O)C[C@@H]1O.O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)O)C[C@@H]1O.O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)O)C[C@@H]1O.O>>CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-0.0555173278498313,,,s_85a9e4b30e3e8e8e0bc3eb13,test
catpreddb_kcat_kcat_216e37ccbe855b,catpred_iteration1_kcat,kcat,A6XIG6,A6XIG6,MSEQAVEVSPKCLGPQHHINPLRFVMPPGSWDTHFHVFGPTTKYPYSETRKYTPPDSPFEEYVKLMLALGIERGVCVHPNIHGPDNSVTLDAVERSEGRFLAIVKIAPDVTLPQLKEMKKKGACGVRFAFNPEHGSGELDTALFDRVVQWCGELDWCVNLHFASNAIHSLAERLSQLTIPTLIDHFGRVHPTKGVDQPDFKTLVDLMRLPHMWVKLTGADRISRNSPSYQDVVPLARTLVDVAPDRVIWGTDWPHSGYFDVKRMPNDGDLTNLLLDFAPSEEQRRRILVDNPSRLFGQVAKGA,O.O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1,O.O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1,O.O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1>>O=C(O)/C=C\C(=O)CC(=O)O.O=S([O-])[O-],public_strict_iteration1_fulltrue_msa,1.6532125137753435,,,s_91fdc4d4c6d58db440fa82bf,test
catpreddb_kcat_kcat_21944fe4fd0be4,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,CCCCC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCC(O)C(C)=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.4533183400470376,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_21a23ad106d950,catpred_iteration1_kcat,kcat,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,NC(CCS)C(=O)O.NC(CO)C(=O)O,NC(CCS)C(=O)O.NC(CO)C(=O)O,NC(CCS)C(=O)O.NC(CO)C(=O)O>>NC(CCSCC(N)C(=O)O)C(=O)O.O,public_strict_iteration1_fulltrue_msa,1.3222192947339193,,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_kcat_kcat_21a8eed26a7f98,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)OCC(O)C(O)C(O)CO,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)OCC(O)C(O)C(O)CO,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)OCC(O)C(O)C(O)CO>>Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)CO)C(O)C2O)c(=O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.1139433523068367,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_21c5fe1fb99bb9,catpred_iteration1_kcat,kcat,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.8388490907372553,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_21cad2b31a1098,catpred_iteration1_kcat,kcat,Q2QC92,Q2QC92,MRLNKLTSLLKEKAFDGALISPGTNLYYLTSLHIHEAGERLTVLAVNSNGEYHLLAPSLYENVIRDFPATFWRDGENPYGKLAEILKELDLSSGRILVENTMRADWLIGILKLGSFEFHPLSILMRELRMRKDAEEIRLMEKAAKIVDEVFEEIIGMDLIGMREKDLALKIELLIRERSDGISFEPIVASGENGANPHHAPGERKLGEGDLVILDYGAKWEGYCSDITRTIALGKPDKKLLEIYEVVKNAQEGAFQTVREGLKAKEVDKAARNYIAEAGYGEYFTHRTGHGLGLDVHEEPYIGPDGEVILKNGMTFTIEPGIYVPGLGGVRIEDDVVVEGGKGRRLTKAPRELIIV,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O.O>>CSCC[C@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,2.733197265106569,,,s_bc3b343075da20da430c3082,test
catpreddb_kcat_kcat_21d16b3b0d54e0,catpred_iteration1_kcat,kcat,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O>>,public_strict_iteration1_fulltrue_msa,2.071882007306125,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_21e6f665463673,catpred_iteration1_kcat,kcat,Q70J59,Q70J59,MFSSLLNRGALLAVVSLLSSSVAAEVFEKLSAVPQGWKYSHTPSDRDPIRLQIALKQHDVEGFETALLEMSDPYHPNYGKHFQTHEEMKRMLLPTQEAVESVRGWLESAGISDIEEDADWIKFRTTVGVANDLLDADFKWYVNEVGHVERLRTLAYSLPQSVASHVNMVQPTTRFGQIKPNRATMRGRPVQVDADILSAAVQAGDTSTCDQVITPQCLKDLYNIGDYKADPNGGSKVAFASFLEEYARYDDLAKFEEKLAPYAIGQNFSVIQYNGGLNDQNSASDSGEANLDLQYIVGVSSPIPVTEFSTGGRGLLIPDLSQPDPNDNSNEPYLEFLQNVLKMDQDKLPQVISTSYGEDEQTIPEKYARSVCNLYAQLGSRGVSVIFSSGDSGVGAACLTNDGTNRTHFPPQFPAACPWVTSVGGTTKTQPEEAVYFSSGGFSDLWERPSWQDSAVKRYLKKLGPRYKGLYNPKGRAFPDVAAQAENYAVFDKGVLHQFDGTSCSAPAFSAIVALLNDARLRAHKPVMGFLNPWLYSKASKGFNDIVKGGSKGCDGRNRFGGTPNGSPVVPYASWNATDGWDPATGLGTPDFGKLLSLAMRR,CC(N=C(O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(N=C(O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(N=C(O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.5440680443502757,,,s_56f319fe4fc171015758cdf6,test
catpreddb_kcat_kcat_2259f02751225c,catpred_iteration1_kcat,kcat,B5U983,B5U983,MVAGAEMAQTAFVQHVKDGGIREFLCKGSDSSNDPLNWVAAAKSMSGSHFDMVRDMVEVYLNAKEVSIEGKTLTVAQVTAVARKAEQTAIKLDAEAAKERVEKSANWVLTQMNKGTDTYGVTTGFGATSHRRTNQGAKLQKELIRFLNAGVLGCDDNVLPVETTRAAMLVRTNTLMQGYSGIRWEILAAVENLLNAGLTPKLPLRGTISASGDLVPLSYIAGLLTGRPNCKVSTRDGTVLSGSEALKQIGIEKPFELQPKEGLAIVNGTAVCAALASLVCFDANVLALLSEVMAAMFCEVMNGKPEFADPLIHRLKHHPGQMEAAAIMEYVLDGSSYMKHAVEIHERNPLQKPKQDRYALRTSPQWLGPQIEVIRAATHMIEREINSVSDNPMIDVARDKALHGGNFQGTPIGVSMDNLRLAVAAIGKLMFAQMSELVNDYYNGGLPSNLSGGPNPSLDYGFKGAEIAMASYCSELQYLANPVTNHVESAEQHNQDVNSLGMVSARKSEEALEILRLMLSTYLTAICQAIDLRHLEENMLATVKQTVAQVARKTLSTGANGELLPGRFCEKELLQVVENEHVLSYIDDPCSPNYVLTQKLRGVLVEHALKNREAEKDLRTSIFHRIEEFETELKVQLESQATTVRANFDNGVTALPNRIKDCRSYPLYSFVRETLGTQLLSGDRDISPGEDIEVVYKAVKANDIIVPLFKCLDGWKGTPGPF,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>N.O=C(O)/C=C/c1ccccc1,public_strict_iteration1_fulltrue_msa,-0.2306226739238615,-0.8388258480466225,,s_78a013fcd9963dd43be4fde0,test
catpreddb_kcat_kcat_22aeb04f273623,catpred_iteration1_kcat,kcat,Q9KQ59,Q9KQ59,MFKSQTAILPEAGPFALYTLLKVRQNHAHVLQALKALPALVEEINQNQPGAELTVSVAFSKGFWSHFEMASPPELIDFPELGEGETHAPSTDVDVLIHCHATRHDLLFYTLRKGISDIAQDIEIVDETYGFRYLDARDMTGFIDGTENPKAEKRAEVALVADGDFAGGSYVMVQRFVHNLPAWNRLNLAAQEKVIGRTKPDSVELENVPAASHVGRVDIKEEGKGLKIVRHSLPYGSVSGDHGLLFIAYCHTLHNFKTMLESMYGVTDGKTDQLLRFTKAVTGAYFFAPSQVMLQELTLKNQ,COc1ccccc1O.OO.[H+],COc1ccccc1O.OO.[H+],COc1ccccc1O.OO.[H+]>>COc1ccccc1OOc1ccccc1OC.O,public_strict_iteration1_fulltrue_msa,-1.5686362358410126,,,s_3cbca65e461c0a174ffca49a,test
catpreddb_kcat_kcat_22af48b78729f2,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.496209316942819,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_22b28b35d3dc40,catpred_iteration1_kcat,kcat,P00376,P00376,MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,public_strict_iteration1_fulltrue_msa,-0.8239087409443188,,,s_5782e3570fd8e47d095ef392,test
catpreddb_kcat_kcat_22ef8ab173f131,catpred_iteration1_kcat,kcat,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,CP(=O)([O-])Oc1ccc([N+](=O)[O-])cc1.O,CP(=O)([O-])Oc1ccc([N+](=O)[O-])cc1.O,CP(=O)([O-])Oc1ccc([N+](=O)[O-])cc1.O>>O=[N+]([O-])c1ccc(O)cc1.O=[PH](O)O,public_strict_iteration1_fulltrue_msa,-1.0,,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_kcat_kcat_22fae87cc7b788,catpred_iteration1_kcat,kcat,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CCCCCC.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CO,public_strict_iteration1_fulltrue_msa,-1.8860566476931635,,,s_b4b031ed943af76041b4fd24,test
catpreddb_kcat_kcat_235a667dc0a4bc,catpred_iteration1_kcat,kcat,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCCCCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,3.03342375548695,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_235f5c106d6cda,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1O[C@@H](CO)[C@H](O)[C@H]1O.[H+],public_strict_iteration1_fulltrue_msa,1.816572696026103,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_236ca690fbe951,catpred_iteration1_kcat,kcat,A0A0M3VI47,A0A0M3VI47,MFSRPFVTPVTIDLQVKSITAGNMWEGLGFYKPANSKSNQMICSKGFRLNCSIDREMIVITKALVDSIAERSSETYEPGLSTVVMNFENEFDPYEAVSTPIYQTATFKQPSATVNGPYDYTRSGNPTRDALERLLAKLDKADRAFCFGSGMAALSAVSQLFENGDEIIAGDDIYGGSDRLLSSVIPRTGVVVKRVNTSDLEEVASAFGPATKLVWLESPTNPRLQISDIGKIAEMAHARGVLVLVDNSIMSPVLCQPLELGADIVMHSATKFIGGHSYIMAGVIAVKGERLAKEMYFLQNAVGSGLAPFDCWLCLQGIKTMELRVEKQQKSAQKIAEFLAFHPRVKKVNYAGLPGHPGRDLHYSQAKGAGSVLSFLTGSLALSKHVVESTKYFSITVSFGSVKSLISMPCFMSHASIPVAVREARGLTEDLVRISVGIENVDDLIADLDQALSSGPL,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O.O,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O.O,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O.O>>CC(=O)C(=O)O.N.N[C@@H](CCS)C(=O)O,public_strict_iteration1_fulltrue_msa,4.32221929473392,,,s_6492d1c4ea2307355bc8c52b,test
catpreddb_kcat_kcat_2376cbb6fa867c,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.3979400086720376,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_237d4e5468ea2e,catpred_iteration1_kcat,kcat,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C=CC(=O)CC.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C=CC(=O)CC.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C=CC(=O)CC.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCC(=O)CC.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.6020599913279624,,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_kcat_kcat_23a719e24d493b,catpred_iteration1_kcat,kcat,P19464,P19464,MDSFPVINMEKLEGQERAATMKLINDACENWGFFELVNHSIPVELMDEVERLTKEHYKKCMEQRFKELMASKVEGAVVDANDMDWESTFFIRHLPVSNLSEIPDLTDEHRKVMKEFAEKLEKLAEQVLDLLCENLGLEKGYLKMAFAGTTTGLPTFGTKVSNYPPCPRPELFKGLRAHTDAGGLILLFQDDRVAGLQLLKDGEWVDVPPMNHSIVINLGDQVEVITNGKYKSVMHRVVAQTDGNRMSLASFYNPGSDAVIFPAPALVEKEAEEKKEVYPKFVFEDYMNLYAGLKFQAKEPRFEVMKMKAVETANLSPITT,NC1(C(=O)O)CC1.O=C1OC(C(O)CO)C(O)=C1O.O=O,NC1(C(=O)O)CC1.O=C1OC(C(O)CO)C(O)=C1O.O=O,NC1(C(=O)O)CC1.O=C1OC(C(O)CO)C(O)=C1O.O=O>>C=C.O.O=C1OC(C(O)CO)C(=O)C1=O.O=C=O.[C-]#N,public_strict_iteration1_fulltrue_msa,2.526339277389844,,,s_2191740ee3eca938d63689e3,test
catpreddb_kcat_kcat_23cc0f18dcd975,catpred_iteration1_kcat,kcat,A0A224MNB6,A0A224MNB6,MASSSRFAALLLLALPALALPPSQVVPRAACATPSTVPGYNNDRLPDPFLFDDGTAVTSSADWDCRRSQIAAVVQGYEAGYLPPQPPIVSATFSSSDGTGTLTVTAGLSSDNTISFSEPITYPSGTAPAAGWPLVIAYDVLSIPVPDGIAVMVYNNDDIAQENDLSSRGVGLFYDLYGTDATASAMTAWVWGVSRIIDALETTPAANINTAKIAVTGCSRDGKGALMAGAFEPRVALTIPQESGSGGDTCWRLSKYEQDSGDVVQQATEIVTENVWFSTNFDNYVNNLSVLPYDHHELAAMVAPRPLLSYENTEYEWLSPLSAYGCMSAAHTVYEALGIPDYHGFVQVGNHSHCYFPDTLDDSLYAFFDRFLLDEDDVSTDYFTTNYQFNGTVWNASYWINWTTPQLD,O.O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O.O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O.O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O>>O=C(O)C1OC(O)C(O)C(O)C1O.OCc1ccccc1,public_strict_iteration1_fulltrue_msa,0.1613680022349748,,,s_9fec1b0c57b37f0d9dbb181d,test
catpreddb_kcat_kcat_240af084d7ac13,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,-1.031517051446065,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_2412e277318069,catpred_iteration1_kcat,kcat,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,COc1cccc(OC)c1O.OO,COc1cccc(OC)c1O.OO,COc1cccc(OC)c1O.OO>>COC1=CC(=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O.O,public_strict_iteration1_fulltrue_msa,2.6232492903979003,,,s_3922a407c453485de3311bb6,test
catpreddb_kcat_kcat_241f5d3e551349,catpred_iteration1_kcat,kcat,Q96EY8,Q96EY8,MAVCGLGSRLGLGSRLGLRGCFGAARLLYPRFQSRGPQGVEDGDRPQPSSKTPRIPKIYTKTGDKGFSSTFTGERRPKDDQVFEAVGTTDELSSAIGFALELVTEKGHTFAEELQKIQCTLQDVGSALATPCSSAREAHLKYTTFKAGPILELEQWIDKYTSQLPPLTAFILPSGGKISSALHFCRAVCRRAERRVVPLVQMGETDANVAKFLNRLSDYLFTLARYAAMKEGNQEKIYMKNDPSAESEGL,CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O.[Co+2].[H+],CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O.[Co+2].[H+],CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O.[Co+2].[H+]>>CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1[C@](C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(=N)O)[C@@](C)(CC(=N)O)C4CCC(=N)[O-])[C@@](C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].O=P(O)(O)O.O=P(O)(O)OP(=O)(O)O.[CH2][C@H]1OC(n2ccc(=N)nc2O)[C@H](O)[C@@H]1O.[Co+],public_strict_iteration1_fulltrue_msa,2.473632926873841,,,s_c05ed9d778c2d8a115aa475c,test
catpreddb_kcat_kcat_243a4a5ce81b50,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O>>C#N.CC1(C)C(C=C(Cl)Cl)C1C(=O)O.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.4099331233312945,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_24656c5e6c689d,catpred_iteration1_kcat,kcat,A0A3F3RHQ3,A0A3F3RHQ3,MATSAPSSEYPASTHTPRYLTGDAAGIQEFLDKFDVFLFDCDGVLWSGDHLFPGTNETLEMLRRKGKQVVFVTNNSTKSRADYNKKLTALGIPSNTEEIFSSSYSASIYISRILSLPPNKRKVFVIGETGIEQELASENVPFIGGTDPAYRRDITPEDYKDIAKGDSSTLLDPEVGVVLVGLDFHINYFKLALAYHYIRRGAVFLATNIDSTLPNSGTLFPGAGSMSAPLIMMLGKEPTSLGKPNQAMMDAIEGKFRFDRSRACMVGDRANTDIRFGIEGRLGGTLGVLTGVSSKEEFVEGDIRPAVYLDRLADLLVVDQ,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.03342375548695,,,s_67551346918215a90453b97b,test
catpreddb_kcat_kcat_248cbe90d76a8d,catpred_iteration1_kcat,kcat,P0ABK5,P0ABK5,MSKIFEDNSLTIGHTPLVRLNRIGNGRILAKVESRNPSFSVKCRIGANMIWDAEKRGVLKPGVELVEPTSGNTGIALAYVAAARGYKLTLTMPETMSIERRKLLKALGANLVLTEGAKGMKGAIQKAEEIVASNPEKYLLLQQFSNPANPEIHEKTTGPEIWEDTDGQVDVFIAGVGTGGTLTGVSRYIKGTKGKTDLISVAVEPTDSPVIAQALAGEEIKPGPHKIQGIGAGFIPANLDLKLVDKVIGITNEEAISTARRLMEEEGILAGISSGAAVAAALKLQEDESFTNKNIVVILPSSGERYLSTALFADLFTEKELQQ,CC(=O)OCC(N)C(=O)O.S,CC(=O)OCC(N)C(=O)O.S,CC(=O)OCC(N)C(=O)O.S>>CC(=O)O.NC(CS)C(=O)O,public_strict_iteration1_fulltrue_msa,3.307496037913213,,,s_5c6c8c9a1fff4757f66653f9,test
catpreddb_kcat_kcat_248f04b1e6b367,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.9242792860618816,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_24b3c2fe08bb58,catpred_iteration1_kcat,kcat,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)O.O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O=P(O)(O)O.O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O=P(O)(O)O.O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.9169800473203824,,,s_d7aace9489d7fde5984a141e,test
catpreddb_kcat_kcat_24d726b79c4a4b,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CSCC[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.4771212547196624,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_24eb2b27e27164,catpred_iteration1_kcat,kcat,P80025,P80025,MWVCLQLPVFLASVTLFEVAASDTIAQAASTTTISDAVSKVKIQVNKAFLDSRTRLKTTLSSEAPTTQQLSEYFKHAKGRTRTAIRNGQVWEESLKRLRRDTTLTNVTDPSLDLTALSWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN,CC(=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.O=NO.OO,CC(=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.O=NO.OO,CC(=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12.O=NO.OO>>O,public_strict_iteration1_fulltrue_msa,1.2787536009528289,,,s_075dddbe447157c6c5ffbc4d,test
catpreddb_kcat_kcat_24fe13a6a10b96,catpred_iteration1_kcat,kcat,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.O,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.O,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.O>>COc1cc(C(=O)O)ccc1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.6382721639824072,,,s_48e9b1367836a0093d7ae75d,test
catpreddb_kcat_kcat_253f372ea0bbc3,catpred_iteration1_kcat,kcat,O86728,O86728,MHSGHRPGRRTARRWWTAALAALALPLTMLGTGSTPAQAAALQCSVDYKTNDWGAGFTAELTLTNHGTDAIDGWTLTYSYAGNQKLTNGWNGTWSQSGPDVTVKNASYNARIAAGAAVSTGGQFTYSGSNAAPANFAVNGTSCVGAHQPPITVLTSPEAGAVYSRGEAVPLAATAAAADGATISKVEFYDDATLLGTDTSSPYTYSASGLTVGSHSLVAKAYDSMGASADSTPVGVTVAAGPTVVASPGQLGVQQGESGTYEVKLSEQPTANVTVTTSRASGNTGLTLTGGASLTFTPSNWDTAQRVTVSADASGSGSAVFESTAPGHGKAAVTVTQLAAAKDYDARFLELYGKITDPANGYFSPEGIPYHSVETLIVEAPDHGHETTSEAYSYLLWLQAMYGKVTGDWSKFNNAWEIMETYMIPTHADQPTNSSYNASKPATYAPELDTPNEYPAPLDGTVSVGSDPIAGELKSAYGTDDVYGMHWLQDVDNTYGYGNSPGKCEAGPSDTGPSYINTFQRGAQESVWETVPQPTCDAFKYGGKNGYLDLFTGDASYAKQWKFTNAPDADARAVQAAYWADIWAGEQGKSDEISATLDKAAKMGDYLRYAMFDKYFKKVGNCVGPSACPAGTGKDSSHYLLSWYYAWGGAVDTSAGWAWRIGSSHTHGGYQNPLAAYALSTDADLKPKSATGQSDWAKSLDRQVEFYRWLQSDEGAIAGGATNSWAGRYATPPAGTPTFYGMYYDEKPVYHDPPSNQWFGFQAWSMERVAEYYQQSGDAGAKAVLDKWVDWALSETTVNPDGTFRIPSTLQWSGQPDTWNASSPGANGDLHVEVADYTNDVGVAAAYAKTLTYYADRSGDTEAASTAKALLDGMWENNQDALGIAVPETRADYNRFDDGIYVPSGWSGTMPNGDTVDASSTFASIRSFYQDDPAWSKIESYLRGGAAPTFTYHRFWAQADIALAMGSYAELLE,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.1238516409670858,,,s_b3c403f8f6adeb5308678f12,test
catpreddb_kcat_kcat_254679eb32ae33,catpred_iteration1_kcat,kcat,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=C(O)CP(=O)(O)O.O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O,O=C(O)CP(=O)(O)O.O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O,O=C(O)CP(=O)(O)O.O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O>>O=C(O)c1cc(=O)[nH]c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,-1.3979400086720375,,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_kcat_kcat_2561754aaff0ea,catpred_iteration1_kcat,kcat,F7ZG00,F7ZG00,MLDSMIGSDLTIDDVRAAHDRIKPYIHETPILTSSYFNALTGAELFFKCENFQKAGAFKVRGASNAVFGLSDEMAEKGVATHSSGNHALSLSYAAGRRGIPCHVVMPRTAPEAKKAAVRGYGGIITECEPSTTSREAVFAEVQAATGAEFVHPYNDPRVIAGQATCSLEMLSQVENMDAVIAPIGGGGMISGTCLTLSNLAPKIEIYAAEPDQADDAARSFRAGHIIADDAPVTVADGLKVPLKENTWHFVSSFVTDVLTASEQEIIDAMKLTWERMKIVIEPSCAVPMATILRNPEVFRGKRVGVVITGGNVDLDKLPWTLG,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O>>N[C@@H](CO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.3463529744506387,1.5658478186735176,,s_1e31150c482918f1b6a2c3a9,test
catpreddb_kcat_kcat_256a9ff61ad469,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_257c7bc6de1027,catpred_iteration1_kcat,kcat,Q3M985,Q3M985,MVIISRSSALPFPQGGAKTQRKKFDELFVAGGSLREAIACAGEVLIDCFATQGKPYSGRSPQELSRTIADIAVCPDEGVGLRQVLAEVGEKIIKHSVVVTHPTCMAHLHCPPLLPAVAAEVLISGTNQSLDSWDQSPAATVLEQQVVNWLCASFGYDAGADGIFTSGGTQSNFMGLLLARDAYAHRQLNWCVQQQGLPPEAQRFRILCSQVAHFTISQAASLLGLGQQAVVAVETDSDYQLCAADVEQKLEQLQQQDLLPIALVATAGTTDFGSIDKLPELAACAEKYGLWFHVDAAFGGALVMSDRHRDKLDGIALADSITVDFHKLFYQPISCGAFLVKQHQNFDLIKLHADYLNPETNEIASIPDLVTKSIQTTKRFDALKLFVSLRTLGRRQFADMIDTTIELAKETANLIDAEPALELANNPTINAVVFRYLPSETPAHLDSTTWANQINSHIRMSLLQQGIAVIAQTKIGQLTYLKFTLLNPQTAIADIQEVLNSITTIGEKHLFHPQESQEGLSL,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CC=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.4685210829577448,,,s_c51f800e701e9ea0396bc442,test
catpreddb_kcat_kcat_257f0eda7889f4,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1.O,Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1.O,Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1.O>>Cc1c(CO)cccc1-c1ccccc1,public_strict_iteration1_fulltrue_msa,-0.3565473235138126,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_25cba1f2cb7d31,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.060697840353612,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_25d04316d6cb1d,catpred_iteration1_kcat,kcat,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,1.6334684555795866,,,s_27531fb3688217415c49ec38,test
catpreddb_kcat_kcat_25d063e7809228,catpred_iteration1_kcat,kcat,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCCCCCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCCCCCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCCCCCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CCCCCCCCCC(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.6126101736612706,,,s_7c84c2d6fea9905641654dda,test
catpreddb_kcat_kcat_25d2674ee447cf,catpred_iteration1_kcat,kcat,P12851,P12851,MSVQATREDKFSFGLWTVGWQARDAFGDATRTALDPVEAVHKLAEIGAYGITFHDDDLVPFGSDAQTRDGIIAGFKKALDETGLIVPMVTTNLFTHPVFKDGGFTSNDRSVRRYAIRKVLRQMDLGAELGAKTLVLWGGREGAEYDSAKDVSAALDRYREALNLLAQYSEDRGYGLRFAIEPKPNEPRGDILLPTAGHAIAFVQELERPELFGINPETGHEQMSNLNFTQGIAQALWHKKLFHIDLNGQHGPKFDQDLVFGHGDLLNAFSLVDLLENGPDGAPAYDGPRHFDYKPSRTEDYDGVWESAKANIRMYLLLKERAKAFRADPEVQEALAASKVAELKTPTLNPGEGYAELLADRSAFEDYDADAVGAKGFGFVKLNQLAIEHLLGAR,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>OCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.4199557484897578,2.8530895298518657,,s_5edc77e1f8c52732ee9e8352,test
catpreddb_kcat_kcat_25d719da754635,catpred_iteration1_kcat,kcat,P34736,P34736,MSSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAAVATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLGDYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRLSALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGNETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKADIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSVLPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEGVAERAAKTVAFYKGKDVVSPLRSAF,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)[C@H](O)COP(=O)(O)O>>O=C[C@H](O)COP(=O)(O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.4032921451582543,,,s_a8398d2297f36238cd95c90d,test
catpreddb_kcat_kcat_25e49b247d6b14,catpred_iteration1_kcat,kcat,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_25e92561b7170f,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21.O,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21.O,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21.O>>,public_strict_iteration1_fulltrue_msa,-0.3979400086720376,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_26027fa2a8ef9e,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)C(O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)C(O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC(O)C(O)COP(=O)(O)O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=P(O)(O)OCC(O)C(O)CO,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_262609ee875d2c,catpred_iteration1_kcat,kcat,P00942,P00942,MARTFFVGGNFKLNGSKQSIKEIVERLNTASIPENVEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O>>O=C(CO)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,4.222716471147583,0.0784410822196882,,s_a2bb45b1deb9d8a8c56aa33e,test
catpreddb_kcat_kcat_26314864ab081d,catpred_iteration1_kcat,kcat,Q9WYX9,Q9WYX9,MNILVTGGAGFIGSHVVDKLIENGYGVIVVDNLSSGKVENLNRNALFYEQSIEDEEMMERIFSLHRPEYVFHLAAQASVAISVREPARDAKTNIIGSLVLLEKSIKYGVKKFIFSSTGGAIYGENVKVFPTPETEIPHPISPYGIAKYSTEMYLEFFAREYGLKYTVLRYANVYGPRQDPYGEAGVVAIFTERMLRGEEVHIFGDGEYVRDYVYVDDVVRANLLAMEKGDNEVFNIGTGRGTTVNQLFKLLKEITGYDKEPVYKPPRKGDVRKSILDYTKAKEKLGWEPKVSLEEGLKLTVEYFRKTLE,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,4.166637294231805,0.8653466576362151,,s_0b4bddf78d15da0e3e880812,test
catpreddb_kcat_kcat_2643e96a17953d,catpred_iteration1_kcat,kcat,A0A0F8NI45,A0A0F8NI45,MKFDPEKIKKDAKENFDHAWNEGKKMVKMPTLNERYPRTTLRYGKAHPVYDTIQKLREAYMRMGFEEMMNPLIVDEKEVHKQFGSEALAVLDRCFYLAGLPRPNVGISDERIAQITEILGDIGEEGIDKIRKELHAYKKGKIEGDDLVPEISAALEVSDALVADMIDRVFPEFKELIPQASTKTLRSHMTSGWFISLGALLEREESPFHFFSIDRCFRREQQEDASRLMTYYSASCVIMDEDVTVDHGKAVSEGLLSQFGFEKFLFRPDEKRSKYYVPDTQTEVFAFHPKLVGSNSKYSDGWIEVATFGIYSPTALAEYDIPYPVMNLGLGVERLAMILHDAPDVRSLTYPQIPQYSEWEMSDSGLAKQVFVDRMPETPEGQEIASAVVAQCELHGEEPSPCEFPAWEGEVCGRKVKVSVIEPEENTKLCGPAAFNEVVAYQGDILGIPNNKKWQKAFENHSARAGIRFIEAFAAQAAREIEEAAMSGADEHIVRIRIVKVPSEVNLKIGATAQRYITGKNKKIDIRGPVFTSVKAEFE,N[C@@H](COP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](COP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](COP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.0253058652647702,,,s_c4a2de1f6a1d2ebc4477e353,test
catpreddb_kcat_kcat_2666270241bb1b,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1.O>>C#N.CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.4031205211758178,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_2675278eaefc3a,catpred_iteration1_kcat,kcat,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.4065401804339552,,,s_d053f6b16bee1b61e3a75110,test
catpreddb_kcat_kcat_26796a1175de97,catpred_iteration1_kcat,kcat,Q5JDG9,Q5JDG9,MKLDVIGIGNLNYDIIFTLERFPEFHEKINARGAHFGLGGAAANTISWLAHFGLKTGYIGAVGNDDVGEMHIKYFQGIGVDTGGIDVVEEPSGVAVAMVAGDDKRIVKYPGANLRRRFKPEYASRAKFLHLSSNPPELIEEAVNFASQRGIKVSLDIGEAPLPRELESKVDYLMMNEDEYRRKYGSLDPSLCRAKNLVVTLNGGGALVREGDNVFEVRGLSAKVVDSTGAGDSFDAGVIYGVLNGWSLLDSAKLGMLLAYLTVQKVGARSAIVPLEEVKRIAREVGLDLPFNRT,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)C[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.932473764677153,,,s_f908f38bc94d284bc9412649,test
catpreddb_kcat_kcat_26955f9a7c15f5,catpred_iteration1_kcat,kcat,A0A2U9N624,A0A2U9N624,MGSESLVHVFLVSFIGQGHVNPLLRLGKRLAAKGLLVTFCTAECVGKEMRKSNGITDEPKPVGDGFIRFEFFEDRWAEDEPMRQDLDLYLPQLELVGKEVIPEMIKKNSEQGRPVSCLINNPFIPWVCDVAESLGLPSAMLWVQSAACLAAYYHYYHGLVPFPSESDMFCDVQIPSMPLLKYDEVPSFLYPTSPYPFLRRAILGQYGNLEKPFCILMDTFQELESEIIEYMACLCPIKAVGPLFKNPKAQNAVRGDFMKADDSIIGWLDTKPKSSVVYISFGSVVYLKQEQVDEIAHGLLSSGVSFIWVMKPPHPDSGFELLVLPEGFLEKAGDRGKVVQWSPQEKILEHPSTACFVTHCGWNSTMESLTSGMPVVAFPQWGDQVTDAKYLVDEFKVGVRMCRGEAEDRVIPREEVEKCLLEATSGPKAAEMKQNALKWKAAAEAAFSEGGSSDRNLQAFVDEVRRISASLNSKSSAVGYVKSKINGVVEYVDSKLNGKAAPVEGAKTRTNGIAKVEEPKAANGKVEIAELTPINGKVEIAGLKPINGKVELVES,COc1cc(/C=C/C(=O)O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(/C=C/C(=O)O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(/C=C/C(=O)O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.3424226808222063,,,s_6a314246aab04833071d364b,test
catpreddb_kcat_kcat_26a64a57da698c,catpred_iteration1_kcat,kcat,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@H](O[C@H]3O[C@H](CN=C(C)O)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,public_strict_iteration1_fulltrue_msa,0.0681858617461616,,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_kcat_kcat_26af8d418fdbd6,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.957128197676813,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_26c434115273c9,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@H](O)[C@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@H](O)[C@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@H](O)[C@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,0.6972293427597176,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_26ce4aeb7a1403,catpred_iteration1_kcat,kcat,P00469,P00469,MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV,OCCS,OCCS,OCCS>>O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1.OCCSSCCO.[Br-],public_strict_iteration1_fulltrue_msa,1.741939077729199,,,s_8872a5ded9b1f61cb4b520ad,test
catpreddb_kcat_kcat_26d3fd4f48c6ff,catpred_iteration1_kcat,kcat,B0BK71,B0BK71,MKLFSASVFAAIIASHYASATAHIRAPNVKPRRTNSLLTAPPQQPPLPSAQQAASASSSAGLNLTDIQGDILIGMKKNKELFFFFSITDAATFKAKLGSDILELITSTNQLLAVATQPITAVNVAFSSTGLKALGITDDLKDPVFEAGMLSNAVSDLSDPGTGNWVPGFVGTSVHGVFLLASDTIDNVNTELANIQTILNGSITEIHRLQGEARPGDQQGHEHFGFMDGISNPAVDGFTPPAEIRPGQALIPPGIMLLGEANDTFQNDRPPWAKDGSFLVFRQMQQRAPEFNKFLQDHALNMPNMTSEQGADLLGARIVGRWKSDAPIDLTPLVDDPVLAADNQRNNNFDFSDATNQTRCPFSAHIRKANPRGDLGGINKFPNQHIIRAGIPYGPEVTDAEKASNSSSTDPSLERGLAFVAYQSNIQNGFVFLQKNWVDNTNFFRPGTGVDPLIGTNSRNSGTDAPNTPRVVSGLDPNNATSTIEIGIDFVVSRGGEYFFSPSLSAIRTVLSV,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO>>O,public_strict_iteration1_fulltrue_msa,-1.6989700043360187,,,s_bbd5319eac7a40aa3112ca03,test
catpreddb_kcat_kcat_26e09a05edecba,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC12CCC3c4ccc(O)cc4CCC3C1CCC2O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC12CCC3c4ccc(O)cc4CCC3C1CCC2O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC12CCC3c4ccc(O)cc4CCC3C1CCC2O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_26f6a2acbd07a3,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCC/C=C\C/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.769551078621726,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_26fb306d39f7e8,catpred_iteration1_kcat,kcat,Q7Z9M8,Q7Z9M8,MKVSRVLALVLGAVIPAHAAFSWKNVKLGGGGGFVPGIIFHPKTKGVAYARTDIGGLYRLNADDSWTAVTDGIADNAGWHNWGIDAVALDPQDDQKVYAAVGMYTNSWDPSNGAIIRSSDRGATWSFTNLPFKVGGNMPGRGAGERLAVDPANSNIIYFGARSGNGLWKSTDGGVTFSKVSSFTATGTYIPDPSDSNGYNSDKQGLMWVTFDSTSSTTGGATSRIFVGTADNITASVYVSTNAGSTWSAVPGQPGKYFPHKAKLQPAEKALYLTYSDGTGPYDGTLGSVWRYDIAGGTWKDITPVSGSDLYFGFGGLGLDLQKPGTLVVASLNSWWPDAQLFRSTDSGTTWSPIWAWASYPTETYYYSISTPKAPWIKNNFIDVTSESPSDGLIKRLGWMIESLEIDPTDSNHWLYGTGMTIFGGHDLTNWDTRHNVSIQSLADGIEEFSVQDLASAPGGSELLAAVGDDNGFTFASRNDLGTSPQTVWATPTWATSTSVDYAGNSVKSVVRVGNTAGTQQVAISSDGGATWSIDYAADTSMNGGTVAYSADGDTILWSTASSGVQRSQFQGSFASVSSLPAGAVIASDKKTNSVFYAGSGSTFYVSKDTGSSFTRGPKLGSAGTIRDIAAHPTTAGTLYVSTDVGIFRSTDSGTTFGQVSTALTNTYQIALGVGSGSNWNLYAFGTGPSGARLYASGDSGASWTDIQGSQGFGSIDSTKVAGSGSTAGQVYVGTNGRGVFYAQGTVGGGTGGTSSSTKQSSSSTSSASSSTTLRSSVVSTTRASTVTSSRTSSAAGPTGSGVAGHYAQCGGIGWTGPTQCVAPYVCQKQNDYYYQCV,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO>>,public_strict_iteration1_fulltrue_msa,1.662757831681574,,,s_6ef0b82d0ce63540611a2a3c,test
catpreddb_kcat_kcat_270674ba798b87,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-2.397940008672037,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_272e9efdfdcf68,catpred_iteration1_kcat,kcat,Q9KWR0,Q9KWR0,MSAIRVGIVGYGNLGRGVEFAISQNPDMELVAVFTRRDPSTVSVASNASVYLVDDAEKFQDDIDVMILCGGSATDLPEQGPHFAQWFNTIDSFDTHAKIPEFFDAVDAAAQKSGKVSVISVGWDPGLFSLNRVLGEAVLPVGTTYTFWGDGLSQGHSDAVRRIEGVKNAVQYTLPIKDAVERVRNGENPELTTREKHARECWVVLEEGADAPKVEQEIVTMPNYFDEYNTTVNFISEDEFNANHTGMPHGGFVIRSGESGANDKQILEFSLKLESNPNFTSSVLVAYARAAHRLSQAGEKGAKTVFDIPFGLLSPKSAAQLRKELL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@H](CCC[C@H](N)C(=O)O)C(=O)O.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@H](CCC[C@H](N)C(=O)O)C(=O)O.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@H](CCC[C@H](N)C(=O)O)C(=O)O.O>>N.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CCCC(=O)C(=O)O)C(=O)O.[H+],public_strict_iteration1_fulltrue_msa,2.188084373714938,,,s_68da8d735af24f5f6ba0cee8,test
catpreddb_kcat_kcat_2737774ea41410,catpred_iteration1_kcat,kcat,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O.O=P(O)(O)OCC(O)CO,O.O=P(O)(O)OCC(O)CO,O.O=P(O)(O)OCC(O)CO>>O=P(O)(O)O.OCC(O)CO,public_strict_iteration1_fulltrue_msa,-0.1135092748275181,,,s_38095aa1b1ee0421254bd92b,test
catpreddb_kcat_kcat_274f3b73228232,catpred_iteration1_kcat,kcat,P46655,P46655,MPSTLTINGKAPIVAYAELIAARIVNALAPNSIAIKLVDDKKAPAAKLDDATEDVFNKITSKFAAIFDNGDKEQVAKWVNLAQKELVIKNFAKLSQSLETLDSQLNLRTFILGGLKYSAADVACWGALRSNGMCGSIIKNKVDVNVSRWYTLLEMDPIFGEAHDFLSKSLLELKKSANVGKKKETHKANFEIDLPDAKMGEVVTRFPPEPSGYLHIGHAKAALLNQYFAQAYKGKLIIRFDDTNPSKEKEEFQDSILEDLDLLGIKGDRITYSSDYFQEMYDYCVQMIKDGKAYCDDTPTEKMREERMDGVASARRDRSVEENLRIFTEEMKNGTEEGLKNCVRAKIDYKALNKTLRDPVIYRCNLTPHHRTGSTWKIYPTYDFCVPIVDAIEGVTHALRTIEYRDRNAQYDWMLQALRLRKVHIWDFARINFVRTLLSKRKLQWMVDKDLVGNWDDPRFPTVRGVRRRGMTVEGLRNFVLSQGPSRNVINLEWNLIWAFNKKVIDPIAPRHTAIVNPVKIHLEGSEAPQEPKIEMKPKHKKNPAVGEKKVIYYKDIVVDKDDADVINVDEEVTLMDWGNVIITKKNDDGSMVAKLNLEGDFKKTKHKLTWLADTKDVVPVDLVDFDHLITKDRLEEDESFEDFLTPQTEFHTDAIADLNVKDMKIGDIIQFERKGYYRLDALPKDGKPYVFFTIPDGKSVNKYGAKK,N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_7e8fe33caeb9b1f23dfa4109,test
catpreddb_kcat_kcat_275070f2f33d40,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.3279021420642825,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_2775b8b60edcec,catpred_iteration1_kcat,kcat,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CCC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)CN=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@H](CCCNC(=N)N)C(=N)O.O,CCC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)CN=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@H](CCCNC(=N)N)C(=N)O.O,CCC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)CN=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@H](CCCNC(=N)N)C(=N)O.O>>CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@H](CCCNC(=N)N)C(=N)O.CCC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)CN=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,2.556302500767288,,,s_9c1c54ef2ef457891b120064,test
catpreddb_kcat_kcat_277b604772a2ad,catpred_iteration1_kcat,kcat,Q79EM8,Q79EM8,MTSPAVTSADITGLVGIVPTPSKPGSEAPDAVDTVDLDETARMVELIVASGVDVLLTNGTFGEVATLTYEELLAFNDTVIRTVANRIPVFCGASTLNTRDTIARSLALMGLGANGLFVGRPMWLPLDDEQLVSYYAAVCDAVPAAAVVVYDNTGVFKGKISSAAYAALAEIPQIVASKHLGVLSGSDAYASDLAAVKGRFPLLPTADNWLPSLEAFPGEVPAAWSGDVACGPEPVMALRRAIAEGLWDDARAVHEDIAWATEPLFPGGDISKFMPYSIQIDRAEFEAAGYIVPGPSRHPYGTAPAAYLEGGAEVGRRWAGIRQKYVATLAEP,O.O=C(O)C(=O)/C=C/c1ccccc1C(=O)O,O.O=C(O)C(=O)/C=C/c1ccccc1C(=O)O,O.O=C(O)C(=O)/C=C/c1ccccc1C(=O)O>>CC(=O)C(=O)O.O=Cc1ccccc1C(=O)O,public_strict_iteration1_fulltrue_msa,1.1139433523068367,,,s_6832e37c9ed8776fff37c95e,test
catpreddb_kcat_kcat_2791ed155c9922,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@@H](O)[C@H](O)CO,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@@H](O)[C@H](O)CO,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@@H](O)[C@H](O)CO>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@H](O)CO,public_strict_iteration1_fulltrue_msa,0.3654879848908996,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_279977d96d9d69,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O>>CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O,public_strict_iteration1_fulltrue_msa,0.4471580313422192,-2.0,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_27ba4c1acd3b2b,catpred_iteration1_kcat,kcat,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,COC(=O)/C=C/c1ccc(O)c(OC)c1.O,COC(=O)/C=C/c1ccc(O)c(OC)c1.O,COC(=O)/C=C/c1ccc(O)c(OC)c1.O>>CO.COc1cc(/C=C/C(=O)O)ccc1O,public_strict_iteration1_fulltrue_msa,0.8512583487190752,,,s_9e06a86c4d466395e96365e4,test
catpreddb_kcat_kcat_27bff84ce603a5,catpred_iteration1_kcat,kcat,S0APF4,S0APF4,MSLKSDFTIDVIDTHTEGEPTRIMFWNNIPKNLRDALSVRKYFIDHYDYIRKILLLEPRGHKDQFGAILLPPVNPDSDYTVIYPTTESYLDMCGHATIGVSTALVALGYVPFEGNEKTLVYDTVAGTVKAMVKIENGEPVSVSIVDVKSYFVKKIKVNVNGKNVDVNISYGGNFYAIVNSKDLGVDVEPEYIDDLLAYGKIIREKAYETLKELYPENRKNLEPLAMITDNNHDYRAIVTFAGNSFDRSPCGTGTAARAAFLVHEGKLKLDGSYVNESILRTKFECRIISWEKVNDTIAIIPEITGRAWVTQLCKIIVDPSDPLKHGFLVQ,O=C(O)[C@@H]1C[C@@H](O)CN1,O=C(O)[C@@H]1C[C@@H](O)CN1,O=C(O)[C@@H]1C[C@@H](O)CN1>>O=C(O)[C@H]1C[C@@H](O)CN1,public_strict_iteration1_fulltrue_msa,-1.40340290437354,0.7867514221455612,,s_4b61fa4180484f6128f2d723,test
catpreddb_kcat_kcat_27c6db7c1e7d6a,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C]1C=C2C(=O)C(O)=c3nc(C(=O)O)cc(C(=O)O)c3=C2N1,public_strict_iteration1_fulltrue_msa,-0.4202164033831898,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_27f3c17758e8ef,catpred_iteration1_kcat,kcat,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,COC(=O)/C=C/c1ccc(O)cc1.O,COC(=O)/C=C/c1ccc(O)cc1.O,COC(=O)/C=C/c1ccc(O)cc1.O>>CO.O=C(O)/C=C/c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.086003705618382,,,s_c30215f5949a041d7b73c98a,test
catpreddb_kcat_kcat_281027eed7e6c4,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CC1=CC(=O)c2ccccc2C1=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_281b5223355a9e,catpred_iteration1_kcat,kcat,Q9NY33,Q9NY33,MADTQYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQTSPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSNMGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMFSLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFKEVDGEGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYAPILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQDKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQLLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHELLGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTIASSYEECRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDARVRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPPECFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSERFPEDGPELEEILTQLATADARFWKGPSEAPSGQA,C[C@H](N)C(O)=N[C@@H](C)C(O)=Nc1ccc2ccccc2c1.O,C[C@H](N)C(O)=N[C@@H](C)C(O)=Nc1ccc2ccccc2c1.O,C[C@H](N)C(O)=N[C@@H](C)C(O)=Nc1ccc2ccccc2c1.O>>C[C@H](N)C(O)=N[C@@H](C)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,-0.4559319556497244,,,s_7dedd52b4f229d3044bbbe67,test
catpreddb_kcat_kcat_2843cddfc9ad73,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_285375de7576ad,catpred_iteration1_kcat,kcat,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,NN=CSCCC[C@H](N)C(=O)O.O,NN=CSCCC[C@H](N)C(=O)O.O,NN=CSCCC[C@H](N)C(=O)O.O>>NC(N)=O,public_strict_iteration1_fulltrue_msa,6.0,,,s_58345ae90df4d9185ef408b3,test
catpreddb_kcat_kcat_287013a8e2cde6,catpred_iteration1_kcat,kcat,P07954,P07954,MYRALRLLARSRPLVRAPAAALASAPGLGGAAVPSFWPPNAARMASQNSFRIEYDTFGELKVPNDKYYGAQTVRSTMNFKIGGVTERMPTPVIKAFGILKRAAAEVNQDYGLDPKIANAIMKAADEVAEGKLNDHFPLVVWQTGSGTQTNMNVNEVISNRAIEMLGGELGSKIPVHPNDHVNKSQSSNDTFPTAMHIAAAIEVHEVLLPGLQKLHDALDAKSKEFAQIIKIGRTHTQDAVPLTLGQEFSGYVQQVKYAMTRIKAAMPRIYELAAGGTAVGTGLNTRIGFAEKVAAKVAALTGLPFVTAPNKFEALAAHDALVELSGAMNTTACSLMKIANDIRFLGSGPRSGLGELILPENEPGSSIMPGKVNPTQCEAMTMVAAQVMGNHVAVTVGGSNGHFELNVFKPMMIKNVLHSARLLGDASVSFTENCVVGIQANTERINKLMNESLMLVTALNPHIGYDKAAKIAKTAHKNGSTLKETAIELGYLTAEQFDEWVKPKDMLGPK,O=C(O)CC(O)C(=O)O,O=C(O)CC(O)C(=O)O,O=C(O)CC(O)C(=O)O>>O.O=C(O)C=CC(=O)O,public_strict_iteration1_fulltrue_msa,2.568201724066995,0.1437261286913795,,s_84e313c4c37758f79a6587c0,test
catpreddb_kcat_kcat_28750ea188f162,catpred_iteration1_kcat,kcat,P61489,P61489,MALVVQKYGGTSVGDLERIHKVAQRIAHYREKGHRLAVVVSAMGHTTDELIALAKRVNPRPPFRELDLLTTTGEQVSVALLSMQLWAMGIPAKGFVQHQIGITTDGRYGDARILEVNPARIREALDQGFVAVIAGFMGTTPEGEITTLGRGGSDTTAVAIAAALGAKECEIYTDTEGVYTTDPHLIPEARKLSVIGYDQMLEMAALGARVLHPRAVYYAKRYGVVLHVRSSFSYNPGTLVKEVAMEMDKAVTGVALDLDHAQIGLIGIPDQPGIAAKVFQALAERGIAVDMIIQGVPGHDPSRQQMAFTVKKDFAQEALEALEPVLAEIGGEAILRPDIAKVSIVGVGLASTPEVPAKMFQAVASTGANIEMIATSEVRISVIIPAEYAEAALRAVHQAFELDKA,NC(CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,NC(CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,NC(CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>NC(CC(=O)OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,4.954242509439325,,,s_c326e9027652b4cc9a03f037,test
catpreddb_kcat_kcat_28832ed7513b84,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,1.4771212547196624,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_28cf86611aed35,catpred_iteration1_kcat,kcat,A0A6F8QRG1,A0A6F8QRG1,MASSNRVITYMGPKKVELQTFDFPKLVDPKGNATPHGAILKIVTTNICGSDQHIYRGRFPAPSGMVLGHEMTGEVIETGPDVHFIRKGDLCSVPFNVSCGRCRNCKERHTDTCMNVNDAVDCGAYGFNLGGWQGGQSDYLMVPYADWNLLRFPDKDQALAKIRDLTLLSDILPTGFHGCIQAGVKYGSTVYIAGAGPVGRCAAASAQLLGASCIIVGDINSKRLALVKSAGYETVDLSSETPLADQIEAILGAREVDCGVDAVGFEAHGNGPGAGEDPAAVLNAMVEVVRANGAVGAPGIYTPGDPQAIDDDAKAGRYRIDFGKAWIKSPHISAGQAPIMHYNRDLMMAILWDRMPYLGKVVNVEVIPLERATEAYRIFDQGAPKKFVIDPHNTTKLVA,C=O.CC(C)C=O.O,C=O.CC(C)C=O.O,C=O.CC(C)C=O.O>>CC(C)CO.O=CO,public_strict_iteration1_fulltrue_msa,3.8750612633917,,,s_b718b17669a2c1894d7dbf7f,test
catpreddb_kcat_kcat_28d03a6120ad41,catpred_iteration1_kcat,kcat,C3SBW0,C3SBW0,METKQTKKEAVANLIKRIEHGEVSDEEIRGMMKIQVQKRLKWGYKPTHEQQLAQLVTFAQSLKGMEMAEEVDTLDAELYEIPLPFLHIMCGKTLKFSPGYFKDESTTLDESEVYMMDLYCERAQIKDGQSILDLGCGHGSLTLHVAQKYRGCKVTGITNSVSQKEFIMDQCKKLDLSNVEIILEDVTKFETEITYDRIFAVALIEHMKNYELFLKKVSTWIAQYGLLFVEHHCHKVFAYQYEPLDEDDWYTEYIFPSGTLVMSSSSILLYFQEDVSVVNHWTLSGKHPSLGFKQWLKRLDDNIDEVKEIFESFYGSKEKAMKFITYWRVFCIAHSQMYSTNNGEEWMLSQVLFKKK,COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-3.1023729087095586,,,s_7a870cc35d7e02400d67e657,test
catpreddb_kcat_kcat_28eb60fc04e167,catpred_iteration1_kcat,kcat,P9WK13,P9WK13,MSASPLKVAVTGAAGQIGYSLLFRLASGSLLGPDRPIELRLLEIEPALQALEGVVMELDDCAFPLLSGVEIGSDPQKIFDGVSLALLVGARPRGAGMERSDLLEANGAIFTAQGKALNAVAADDVRVGVTGNPANTNALIAMTNAPDIPRERFSALTRLDHNRAISQLAAKTGAAVTDIKKMTIWGNHSATQYPDLFHAEVAGKNAAEVVNDQAWIEDEFIPTVAKRGAAIIDARGASSAASAASATIDAARDWLLGTPADDWVSMAVVSDGSYGVPEGLISSFPVTTKGGNWTIVSGLEIDEFSRGRIDKSTAELADERSAVTELGLI,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,3.386855529184724,,,s_c636a6959bff03450d3c3522,test
catpreddb_kcat_kcat_29079a8f8dc24a,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,public_strict_iteration1_fulltrue_msa,-1.9665762445130504,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_2917e2969ff0dc,catpred_iteration1_kcat,kcat,A0A0U5A554,A0A0U5A554,MNGVKAAPVDLLHVRAASQRIHGWVHRTPVFTCQALDDMAGRELYFKAENLQKTGAFKARGACNAVFLEKERNPNCVGIVTDSSGNHAQGVAYASKCVDLDCTVVLPRGAPKVKCDAIRGYGAELVFCDPTPTARKKMSAKIANETGKTIISSSDNYDVMAGQGTIALELLEEVPDLDAVLVSTSAGGMLAGIAVAVRALRPQCRVYAVEPVGKGLQKCLEAKERLWPNPSRFLNTIADSIRLQAIGELTFPIICDYADSKVFTVTDDQMVEGMKLTFERMKLVVEAASGAAVYAAVHMMDEVQPPPRKVGVILCGGNTDLDNLPWLTRSTTYN,N[C@H](CC(=O)O)C(=O)O,N[C@H](CC(=O)O)C(=O)O,N[C@H](CC(=O)O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.4409090820652175,0.9938769149412112,,s_6d9c098050aa24adeeb1bac0,test
catpreddb_kcat_kcat_292b33569e4991,catpred_iteration1_kcat,kcat,Q8GMG0,Q8GMG0,MALTQVETEIVPVSVDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNIPIYGVTTGYGEMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIVAARLNTLAKGHSAVRPIILERLAQYLNEGITPAIPEIGSLGASGDLAPLSHVASTLIGEGYVLRDGRPVETAQVLAERGIEPLELRFKEGLALINGTSGMTGLGSLVVGRALEQAQQAEIVTALLIEAVRGSTSPFLAEGHDIARPHEGQIDTAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRSEIYLQKAYSLRAIPQVVGAVRDTLYHARHKLRIELNSANDNPLFFEGKEIFHGANFHGQPIAFAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAGAQYPATALVAENRTIGPASTQSVPSNGDNQDVVSMGLISARNARRVLSNNNKILAVEYLAAAQAVDISGRFDGLSPAAKATYEAVRRLVPTLGVDRYMADDIELVADALSRGEFLRAIARETDIQLR,NC(Cc1ccc(O)c(O)c1)C(=O)O,NC(Cc1ccc(O)c(O)c1)C(=O)O,NC(Cc1ccc(O)c(O)c1)C(=O)O>>NC(CC(=O)O)c1ccc(O)c(O)c1,public_strict_iteration1_fulltrue_msa,-2.1739251972991736,0.1875207208364631,,s_ed7ffc280e1a91db2c848542,test
catpreddb_kcat_kcat_29409009594010,catpred_iteration1_kcat,kcat,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C/C=C/C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C/C=C/C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C/C=C/C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.1139433523068367,,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_kcat_kcat_294be8e1bc9890,catpred_iteration1_kcat,kcat,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,0.0,,,s_7aed539f1fd0d29a964f808a,test
catpreddb_kcat_kcat_295c3975acc465,catpred_iteration1_kcat,kcat,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(O)C(=O)[O-].N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.7993405494535817,,,s_7aed539f1fd0d29a964f808a,test
catpreddb_kcat_kcat_297278f83f816f,catpred_iteration1_kcat,kcat,F9FRH4,F9FRH4,MVALLIFLGIFTCVETLPLSDSPSSYIPEEVPSSQTADIGLPPPTEFTLPNEDDEILIRKLNIQKTRKEILYGPSLIGKTSFFISGPLGDQISQRDQTLWSRDAAPVVQAVSHDAAAALHDIQIHGGLQNLDDYKILYQGHWSSSVPGGIAKGQFSNFTSDLLFSMERLSTNPYILRRLHPHADELPFAVDSKIVQKLTGSTLPSLHKAGRLFLADHSYQKDYVAQEGRYAAACQALFYLDDRCHQFLPLAIKTNVGSNLTYTPLDEPNDWLLAKVMFNVNDLFHGQMYHLASTHAVAEIVHLAALRTMSSRHPVLALLQRLMYQAYAIRPIGNNILFNPGGLIDQNSVFSNVAVRKFATDFYPTVAGPVRSNYFEANLRSRGLLNATHGPDLPHFPFYEDGARIIKVIRTFIQSFVKSIYKSDKVLAKDWELQAWIAEANGAAEVIDFPPTPLKKRKHLVDILTHMAWLTGVSHHVLNQGEPVTTSGVLPLHPGSLYAPVPGEKGVVDSLLPWLPNEQKSVDQISFLALFNRPQIVENNRTLRYMFNSESLLAGTVRAVAAANERFMEEMGHISQEISNRKFDDDGLSQGMPFIWTGMDPGVIPFYLSV,CCC=CCC=CCC=CCCCCCCCC(=O)O.O=O,CCC=CCC=CCC=CCCCCCCCC(=O)O.O=O,CCC=CCC=CCC=CCCCCCCCC(=O)O.O=O>>CC/C=C\CC(/C=C/C=C\CCCCCCCC(=O)[O-])OO,public_strict_iteration1_fulltrue_msa,0.7323937598229685,,,s_0442306892007a90f6d96c43,test
catpreddb_kcat_kcat_297e8c8d97123b,catpred_iteration1_kcat,kcat,Q9KHJ9,Q9KHJ9,MTFVIELDMNVTLDQLEDAARQRTPVELSAPVRSRVRASRDVLVKFVQDERVIYGVNTSMGGFVDHLVPVSQARQLQENLINAVATNVGAYLDDTTARTIMLSRIVSLARGNSAITPANLDKLVAVLNAGIVPCIPEKGSLGTSGDLGPLAAIALVCAGQWKARYNGQIMPGRQALSEAGVEPMELSYKDGLALINGTSGMVGLGTMVLQAARRLVDRYLQVSALSVEGLAGMTKPFDPRVHGVKPHRGQRQVASRLWEGLADSHLAVNELDTEQTLAGEMGTVAKAGSLAIEDAYSIRCTPQILGPVVDVLDRIGATLQDELNSSNDNPIVLPEEAEVFHNGHFHGQYVAMAMDHLNMALATVTNLANRRVDRFLDKSNSNGLPAFLCREDPGLRLGLMGGQFMTASITAETRTLTIPMSVQSLTSTADFQDIVSFGFVAARRAREVLTNAAYVVAFELLCACQAVDIRGADKLSSFTRPLYERTRKIVPFFDRDETITDYVEKLAADLIAGEPVDAAVAAH,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>N[C@@H](CC(=O)O)c1ccccc1,public_strict_iteration1_fulltrue_msa,-0.7986028756795485,-1.6575773191777938,,s_f6cd12b7ddcd4360f2b97bfe,test
catpreddb_kcat_kcat_29a65f63e469a7,catpred_iteration1_kcat,kcat,H3ZMH5,H3ZMH5,MFADHVFHVVDTHTEGEPTRIVLSGVNVKGEDIIEKREYFKEHYDWIRTALLHEPRGHSDQFGAVLVPSDIADFGVIYMDTSGYLDMCGHATMGVATVLVELGIIEKKEPYTTVKLETPAGLVEAKAKVKGGVVKEVTVVDVPSFYVGEFVIEYPGRGKIKVDVAFGGNFYVIADARDLGLRVRREYIKELIPTALKLIKVANEQIKVQHPRKGVQNRINLAMLTDEPEREDSDGKNVVIWGEGSVDRSPCGTGSASRVATLYSKGILKEGDIFVHESILGTQFRIKIVGTTKIGEYTAIIPEITGSAYITKISQDIISKNDPLWKGFLLR,O=C(O)[C@@H]1C[C@@H](O)CN1,O=C(O)[C@@H]1C[C@@H](O)CN1,O=C(O)[C@@H]1C[C@@H](O)CN1>>O=C(O)[C@H]1C[C@@H](O)CN1,public_strict_iteration1_fulltrue_msa,1.083860800866573,0.7839035792727349,,s_439f7553837807af96852cc3,test
catpreddb_kcat_kcat_29afa482f3f8f7,catpred_iteration1_kcat,kcat,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc(O)c2ccccc2c1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.4085791254086675,,,s_2764a837703abb2f4c81a0d2,test
catpreddb_kcat_kcat_29cde07361efb2,catpred_iteration1_kcat,kcat,O63067,O63067,MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCO)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCO)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCO)C(=O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CC=O)C(=O)O.[H+],public_strict_iteration1_fulltrue_msa,1.0064660422492318,,,s_d215edcf3d0b04ec0a52bce0,test
catpreddb_kcat_kcat_29dc80d834c622,catpred_iteration1_kcat,kcat,Q57Z14,Q57Z14,MYRKNVCVVIFNEDLNFLACQRIHEDKFQFVQGGVEEGDADIIRAAYREVHEEVGLFPEDLRLIGEIMPPSGDPHEFRYILHEGANLRHFGYVGQQQRLFLFYTPSSTIQRVRLVPPKGSVAKQEFSHVEWLPIDEIIERCPKEKQHIFVAVSKVAIPMAKAFLKTRSSI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.0988167170489411,,,s_15889064dbb82d3b73da9a11,test
catpreddb_kcat_kcat_29dd01a57d23b0,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CBr)C(=O)CBr.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CBr)C(=O)CBr.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CBr)C(=O)CBr.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.933588510196653,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_29f65faf09fd1f,catpred_iteration1_kcat,kcat,O35186,O35186,MWVFKFLLLPVVSFALSPEETLDTQWELWKKTHGKQYNSKVDEISRRLIWEKNLKKISVHNLEASLGAHTYELAMNHLGDMTSEEVVQKMTGLRVPPSRSFSNDTLYTPEWEGRVPDSIDYRKKGYVTPVKNQGQCGSCWAFSSAGALEGQLKKKTGKLLALSPQNLVDCVSENYGCGGGYMTTAFQYVQQNGGIDSEDAYPYVGQDESCMYNATAKAAKCRGYREIPVGNEKALKRAVARVGPVSVSIDASLTSFQFYSRGVYYDENCDRDNVNHAVLVVGYGTQKGNKYWIIKNSWGESWGNKGYVLLARNKNNACGITNLASFPKM,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O>>CC(C)C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,1.980911937776844,,,s_17667111b2c803bf65ed50fe,test
catpreddb_kcat_kcat_29fbb2aff3dc34,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.4775557664936801,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_2a18912b021a00,catpred_iteration1_kcat,kcat,Q57Z14,Q57Z14,MYRKNVCVVIFNEDLNFLACQRIHEDKFQFVQGGVEEGDADIIRAAYREVHEEVGLFPEDLRLIGEIMPPSGDPHEFRYILHEGANLRHFGYVGQQQRLFLFYTPSSTIQRVRLVPPKGSVAKQEFSHVEWLPIDEIIERCPKEKQHIFVAVSKVAIPMAKAFLKTRSSI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.3550490317762565,,,s_15889064dbb82d3b73da9a11,test
catpreddb_kcat_kcat_2a604152108648,catpred_iteration1_kcat,kcat,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,COc1cc(/C=C/C(=O)O)cc(OC)c1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_a6bfd646457ffec3f91681c4,test
catpreddb_kcat_kcat_2a61c773a9cf99,catpred_iteration1_kcat,kcat,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.832682665251824,,,s_577e1452403bbeb8c4453dd0,test
catpreddb_kcat_kcat_2a788d551ae2a0,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.6127838567197355,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_2a88c965861c35,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.886490725172482,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_2ab508d8f24d71,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,1.8573324964312683,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_2ac99a970c5c44,catpred_iteration1_kcat,kcat,A0A4Y5R2N2,A0A4Y5R2N2,MANTEHVRLLGLWSSPFSRRVEWALKLKDVDYEYIEEDIFNKSSQLIELNPVHKAVPVFVHGEKVIAESFVILEYIDETWKQCPLMPQDPHERAMTRFWTKFAEEKMSAAWTATCSLGEEKEKAAKLTVDALEKIEGVLKGKRFFGGESIGYSDIAVGWMSYWLPIWEEVGSTKIVDPLQFPALTSWMRNFLEHPVIKENLPPRDKMIIYFQKRSIEFFPRPRG,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>Cl.N[C@@H](CCC(O)=N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.3516417261935216,,,s_4ae5820f2be4a47c60a27118,test
catpreddb_kcat_kcat_2acf4f9153886a,catpred_iteration1_kcat,kcat,P07954,P07954,MYRALRLLARSRPLVRAPAAALASAPGLGGAAVPSFWPPNAARMASQNSFRIEYDTFGELKVPNDKYYGAQTVRSTMNFKIGGVTERMPTPVIKAFGILKRAAAEVNQDYGLDPKIANAIMKAADEVAEGKLNDHFPLVVWQTGSGTQTNMNVNEVISNRAIEMLGGELGSKIPVHPNDHVNKSQSSNDTFPTAMHIAAAIEVHEVLLPGLQKLHDALDAKSKEFAQIIKIGRTHTQDAVPLTLGQEFSGYVQQVKYAMTRIKAAMPRIYELAAGGTAVGTGLNTRIGFAEKVAAKVAALTGLPFVTAPNKFEALAAHDALVELSGAMNTTACSLMKIANDIRFLGSGPRSGLGELILPENEPGSSIMPGKVNPTQCEAMTMVAAQVMGNHVAVTVGGSNGHFELNVFKPMMIKNVLHSARLLGDASVSFTENCVVGIQANTERINKLMNESLMLVTALNPHIGYDKAAKIAKTAHKNGSTLKETAIELGYLTAEQFDEWVKPKDMLGPK,O.O=C(O)C=CC(=O)O,O.O=C(O)C=CC(=O)O,O.O=C(O)C=CC(=O)O>>O=C(O)CC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.57978359661681,,,s_84e313c4c37758f79a6587c0,test
catpreddb_kcat_kcat_2ad0c8e304f08a,catpred_iteration1_kcat,kcat,V9SDP6,V9SDP6,MSIPTTQKGVIFYENGGQLYYKDIPVPKPKSNELLINVKYSGVCHTDLHAWKGDWPLDTKLPLVGGHEGAGVVVAMGDNVKGWKIGDLAGIKWLNGSCMNCEECELSNESNCPDADLSGYTHDGSFQQYATADAVQAAHIPAGTDLAQVAPILCAGVTVYKALKTAEMKAGDWVAISGAAGGLGSLAVQYAKAMGFRVLGIDGGEGKEELFKSLGGEVFIDFTKSKDIVGEVIKATNGDAHGVINVSVSEKAIESSIEYCRSNGTVVLVGLPKDAKCKSDVFNQVVKSIHIVGSYVGNRADTREALDFFCRGLVHA,CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.7242758696007892,,,s_afee1ae86793f42c1d3745de,test
catpreddb_kcat_kcat_2ae2727dcef892,catpred_iteration1_kcat,kcat,Q1DG84,Q1DG84,MPKRGGGGRGVTQKPSNRDVLPAGAESKDTELFFNRELSWMAFNDRVLQLAESPEIPLLERLKFIAIYARNLDEFFMIRVARLHEQIRGGVARLVPDGASPSDTLDKLHDGILKQTRRHGDAFEKVLRPALAEKGLRILSARNLDAEQRAQVDQRFKEQIFPVLTPLAIGLGRHFPYISNLSLSLAVLLRDPDADEESVARVKVPKELLPRFLPLKGNVFVPLEEIIAQHLGDLFPGMEVLSWGTFRVTRDADFTVSEDAEDLLKAVETELRERRFGDVIRMEVQAGMSPKLLEPLVEAMGLEARQVYEEHGLVGLNDLQSIAFAPGFPELKDPPWVPVTQARLRTDADAPDGGTVMSSMRRGDLLVHHPYESFATSVERFVTEAVADPDVLAIKQTVYRTSDSSPLVPALITATERGKQAVCMVELKARFDERTNIRWANALEEAGVHVVYGIPSLKTHAKAILIVRREGDKVRHYVHIGTGNYNPKTARLYTDMGLFTTDPDIGADVADVFNYLTGFGRPKSFRKLLVAPLTMRQGLLAEIKRTVAAHTAERPARIQMKMNALVDPGIIHALYEASRAGVKVELNVRGICCLRPGVPGVSENIRVVSVLGRFLEHSRIYIFERGPELRCFIGSADLMPRNLDHRVEILAPVEDASLAAQVKDSLERCMADTTSAWELTADGGWRRRLPRAGDEKRWAQGEMMERAQRMAQFQGGRPLP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.2365720064370627,,,s_882d5289fe179d9a2e6581ba,test
catpreddb_kcat_kcat_2ae7d80839dbf7,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12>>,public_strict_iteration1_fulltrue_msa,1.9684829485539352,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_2b115f771a2e89,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CCCCCC(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O,CCCCCC(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O,CCCCCC(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O>>,public_strict_iteration1_fulltrue_msa,1.380211241711606,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_2b345792b6995e,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O.O,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O.O,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O.O>>CC(=O)C(=O)O.N.Oc1cccc(F)c1,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_2b3ed99d2a31bd,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CC(C)C[C@H](NS(C)(=O)=O)C(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)C[C@H](NS(C)(=O)=O)C(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)C[C@H](NS(C)(=O)=O)C(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC(C)C[C@H](NS(C)(=O)=O)C(O)=NCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.1139433523068367,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_2b6fce0f3d42c3,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)C(C)=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)C(C)=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)C(C)=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc(O)c(C)cc1O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.5910646070264992,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_2b938f6587a996,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.4771212547196624,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_2bc7532f9f1e76,catpred_iteration1_kcat,kcat,B8RCD2,B8RCD2,MGSIEQKSRILVFGGTGYIGNFIVKACVAAGHPTYVYVRPMKPDHNPSKLDVLNEYKSLGVTIFEGELDEHEKLVDVLRQVDIVIVTLAIPQCHEQHKIIEAMKEAGNIKRFIPSEFGNDVDRISPLPPFQEGVCKIKKGVRRAAEKSGIPYTFVSSNSCGAYFVNFLLRPSDEKLRKVTVYGTGEAKFPLNYEKDIAEYTLRLATDPRAANSLVFYRPPKNIVSQLDLISSWEKKTGRTLEKTYVSEEEIIKLSQTASTVQDAVGTSILHSIFVKGEQMNFELKEDELEVSKLYPDYKYTSVDELLDIFLVDPPKPASAAFG,COc1cc(/C=C/COC(C)=O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],COc1cc(/C=C/COC(C)=O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],COc1cc(/C=C/COC(C)=O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C/C=C/c1ccc(O)c(OC)c1.CC(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.0086001717619175,,,s_d920ecd05e5eb8e840713999,test
catpreddb_kcat_kcat_2bf9f336ee61c6,catpred_iteration1_kcat,kcat,Q9CKB0,Q9CKB0,MKNLKGIFSALLVSFNADGSINEKGLRQIVRYNIDKMKVDGLYVGGSTGENFMLSTEEKKEIFRIAKDEAKDEIALIAQVGSVNLQEAIELGKYATELGYDSLSAVTPFYYKFSFPEIKHYYDSIIEATGNYMIVYSIPFLTGVNIGVEQFGELYKNPKVLGVKFTAGDFYLLERLKKAYPNHLIWAGFDEMMLPAASLGVDGAIGSTFNVNGVRARQIFELTQAGKLKEALEIQHVTNDLIEGILANGLYLTIKELLKLDGVEAGYCREPMTKELSPEKVAFAKELKAKYLS,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O>>CC(=O)C(=O)O.CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.2041199826559248,0.6901960800285137,,s_4e42204780ed0b8eec266a30,test
catpreddb_kcat_kcat_2c088ae86f578d,catpred_iteration1_kcat,kcat,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,CSCC[C@@H](N)C(=O)O.O.O=O,CSCC[C@@H](N)C(=O)O.O.O=O,CSCC[C@@H](N)C(=O)O.O.O=O>>CSCCC(=O)C(=O)O.N.OO,public_strict_iteration1_fulltrue_msa,2.0791812460476247,,,s_d9fe73494ede26238d4e9e26,test
catpreddb_kcat_kcat_2c0c0b03bd3380,catpred_iteration1_kcat,kcat,Q5NT46,Q5NT46,MADGVRMTRAKVEHAPNCDIVIVGGGSAGSLLAARLSEDPDSRVLLIEAGEEPTDPDIWNPAAWPALQGRSYDWDYRTEAQAGTAGRAHHWARGRLIGGSSCLHAMGYMRGHPSDFQAWVDASGDRRWGWDELLPVFQAIEDHPLGGDGIHGKGGPLPIHLPADEVSPLARAFIEAGASLGLPRLEGHNSGEMIGVTPNSLNIRDGRRVTAADAWLTKAVRGRKNLTILTGSRVRRLKLEGNQVRSLEVVGRQGSAEVFADQIVLCAGALESPALLMRSGIGPHDVLDAAGVGCLIDMPDIGRNLQDHLLGAGNLYAARKPVPPSRLQHSESMAYMRADSFTAAGQPEIVVGCGVAPIVSESFPAPAAGSAYSLLFGITHPTSRGSVRISGPELGDRLIIDPAYLQTGRDRERFRRALEASRTIGHRDELAGWRERELLPGTPNSAAEMDDFIARSVITHHHPCGTCRMGKDPDAVVDANLRLKALDNLFVVDASIMPNLTAGPIHAAVLAIAETFARQY,Cc1ncc(CO)c(CO)c1O.O=O,Cc1ncc(CO)c(CO)c1O.O=O,Cc1ncc(CO)c(CO)c1O.O=O>>Cc1ncc(CO)c(C=O)c1O.OO,public_strict_iteration1_fulltrue_msa,1.2988530764097066,,,s_02e0b482c22a29910ca3ccbb,test
catpreddb_kcat_kcat_2c1aabe79a962a,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1c(O)c2ccccc2c2ccccc12,public_strict_iteration1_fulltrue_msa,2.6414741105041,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_2c2060e7f6584a,catpred_iteration1_kcat,kcat,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O>>CC(=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.9395192526186185,,,s_7b891238f481ee6cd9721941,test
catpreddb_kcat_kcat_2c4d6bbf20a56f,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OO,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OO,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OO>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,-0.4111682744057927,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_2ca084f812b339,catpred_iteration1_kcat,kcat,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,O=P(O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=P(O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=P(O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.Oc1ccnc(O)n1,public_strict_iteration1_fulltrue_msa,-1.0457574905606752,,,s_8b157d74d30d5eae406928c9,test
catpreddb_kcat_kcat_2ccae75053b99b,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,2.673941998634088,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_2cdb486528e07b,catpred_iteration1_kcat,kcat,P9WP19,P9WP19,MIFAKGHGTQNDFVLLPDVDAELVLTAARVAALCDRRKGLGADGVLRVTTAGAAQAVGVLDSLPEGVRVTDWYMDYRNADGSAAQMCGNGVRVFAHYLRASGLEVRDEFVVGSLAGPRPVTCHHVEAAYADVSVDMGKANRLGAGEAVVGGRRFHGLAVDVGNPHLACVDSQLTVDGLAALDVGAPVSFDGAQFPDGVNVEVLTAPVDGAVWMRVHERGVGETRSCGTGTVAAAVAALAAVGSPTGTLTVHVPGGEVVVTVTDATSFLRGPSVLVARGDLADDWWNAMG,N[C@H](CCC[C@H](N)C(=O)O)C(=O)O,N[C@H](CCC[C@H](N)C(=O)O)C(=O)O,N[C@H](CCC[C@H](N)C(=O)O)C(=O)O>>N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.8341623753098718,-0.7798919119599449,,s_150818914133797a42525283,test
catpreddb_kcat_kcat_2d0ef5030cc800,catpred_iteration1_kcat,kcat,Q7WG29,Q7WG29,MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLATNQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACRKPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGRKTLAQGGLPEGTRVCEDLAAVAEQLLQEA,O.O=P(O)(O)OC[C@H](O)[C@H]1O[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H](O)[C@H]1O[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H](O)[C@H]1O[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.O=P(O)(O)O[C@@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.3424226808222062,,,s_f6b925754d8a6e851a8f041b,test
catpreddb_kcat_kcat_2d18cb390b6340,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.6748611407378116,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_2d19d466f686c9,catpred_iteration1_kcat,kcat,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.O=O,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.O=O,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.O=O>>CC(O)C(O)C1CN=C2NC(=N)N=C(O)C2(O)N1.CC(O)C(O)C1CN=C2NC(=N)N=C(O)C2(O)N1,public_strict_iteration1_fulltrue_msa,3.982271233039568,,,s_11464cac78fa396921bed3a7,test
catpreddb_kcat_kcat_2d2980738b49db,catpred_iteration1_kcat,kcat,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N[C@@H](CCC(=O)O)C(=O)O.O=C(O)CC(=O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O.O=C(O)CC(=O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O.O=C(O)CC(=O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.431798275933005,,,s_23a07e04da444562badc1284,test
catpreddb_kcat_kcat_2d56996b3047db,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,1.3096301674258988,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_2db18cadb99862,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.7958800173440752,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_2dc3fcc0846f72,catpred_iteration1_kcat,kcat,P71447,P71447,MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLEKMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSYYTLEFLKEVWLQKQK,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O>>O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.247973266361807,-1.4146068277187305,,s_a76484e5b19a83bd01990ff4,test
catpreddb_kcat_kcat_2dda798aef5d6d,catpred_iteration1_kcat,kcat,Q0JB48,Q0JB48,VIEPTMEPVAVVAVPFPAQGHLNQLLHLSLQLASRGGVDVHYAAPAAHVRQARERVQGGDDAALRSVRFHDLGISTYASPPPDPAAASPFPSHLMPLWEAYTAGAPAPLAALLDKLSASYRRVVVVYDRINDFAAQEAARLRNGEAFVMYCLAVSMLARRIAPQEHQRILRENGLTNITVEDCATEEFVDYIRRTRATKEMSPPRGILTNTCRALEGEFIDVVAGNLAADGKKVFAVGPLNPLLHGNASKQGDQRQRHECLDWLDKQPPASVLYVSFGTTSSLRAEQIEELASALRGSNQRFIWVLRDADRGDIFAEDSGEIISRHAKLLREFTQHNEGSTGLVITGWAPQLEILAHDATAAFMSHCGWNSTMESLSHG,C/C(=C/CNc1nc[nH]c2ncnc1-2)CO.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C/C(=C/CNc1nc[nH]c2ncnc1-2)CO.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C/C(=C/CNc1nc[nH]c2ncnc1-2)CO.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>C/C(=C/CNc1nc[nH]c2ncnc1-2)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.0457574905606751,,,s_8025b4153355deb09393a7ba,test
catpreddb_kcat_kcat_2ddc67708b535b,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CC(C)CN.O.O=O,CC(C)CN.O.O=O,CC(C)CN.O.O=O>>CC(C)C=O.N.OO,public_strict_iteration1_fulltrue_msa,0.8692317197309762,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_2dfa43ddb0ef3e,catpred_iteration1_kcat,kcat,I3EBM6,I3EBM6,MPLVSMTEMLNKAKAEGYAVGQFNLNNLEFTQAILLAAEEEKSPVILGVSEGAGRYMGGFKTVVNMVKGLMEDYKITVPVAIHLDHGSSFEKCKEVIDAGFTSVMIDASHHPFEENVEVTKKVVEYAHARGVSVEAELGTVGGQEDDVIADGVIYADPKECEELVKRTGIDCLAPALGSVHGPYKGEPNLGFKEMEEIGRITGVPLVLHGGTGIPTKDIQRAISLGTAKINVNTENQIASAKKVREVLAENPNMYDPRKYLGPARDAIKETVIGKMREFGSSGKA,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O>>O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.7075701760979364,-0.7958800173440752,,s_dfd08d794d93cb583b2aee40,test
catpreddb_kcat_kcat_2e58f975ccdb67,catpred_iteration1_kcat,kcat,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(C)C)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(C)C)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(C)C)ccc12.O>>CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(=O)O.Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)[C@@H](N)CC(=O)O)ccc12,public_strict_iteration1_fulltrue_msa,0.6020599913279624,,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_kcat_kcat_2e5acc48a94185,catpred_iteration1_kcat,kcat,M9Z1G5,M9Z1G5,MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMTMLDGGKERTKQQFEDLAKQAGFTVFKIVARAYYCWVIELYK,COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.4089353929735008,,,s_7d63982e25dfe2080c9a3604,test
catpreddb_kcat_kcat_2e6abc77fde91b,catpred_iteration1_kcat,kcat,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,COc1ccc(CO)cc1.O=O,COc1ccc(CO)cc1.O=O,COc1ccc(CO)cc1.O=O>>COc1ccc(C=O)cc1.OO,public_strict_iteration1_fulltrue_msa,-2.1249387366083,,,s_f2bb212131b83045ca25164e,test
catpreddb_kcat_kcat_2ebd5a957c696b,catpred_iteration1_kcat,kcat,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O.O,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O.O,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.9242792860618816,,,s_6dbd2dd810498498c8b82108,test
catpreddb_kcat_kcat_2ed260ece02be5,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCC1CCC(=O)O1.O,CCCCCC1CCC(=O)O1.O,CCCCCC1CCC(=O)O1.O>>CCCCCC(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_2eed6cb7539510,catpred_iteration1_kcat,kcat,Q9WY06,Q9WY06,MKKLTVYLATTNPHKVEEIKMIAPEWMEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFMEEHSYKEKMRTILKMLEGKDRRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDPFFIPDGYDKTFGEIPHLKEKISHRSKAFRKLFSVLEKILESENR,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O>>O=P(O)(O)O.O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.3439990690571613,,,s_6bd796007fbd75e266556426,test
catpreddb_kcat_kcat_2f3e3c812a109a,catpred_iteration1_kcat,kcat,P62617,P62617,MRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKATK,CC(CO)(OP(=O)(O)O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,CC(CO)(OP(=O)(O)O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O,CC(CO)(OP(=O)(O)O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(N)nc2=O)C(O)C1O>>CC1(CO)OP(=O)(O)OP(=O)(O)OCC1O.Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1,public_strict_iteration1_fulltrue_msa,0.4313637641589873,-0.3872161432802645,,s_f2d24feefb6e099d1fae5740,test
catpreddb_kcat_kcat_2f599d90b503c0,catpred_iteration1_kcat,kcat,B8M9J8,B8M9J8,MPGSLIDTRQQPLSVGIVGGGIIGVILAAGLVRRGIDVKVFEQARGFREIGAGMAFTANAVRCMEMLDPAIVWALRSSGAVPISIGDHQAEARDYLRWVDGYHESSKRLYQLDAGIRGFEACRRDQFLEALVKVLPEGIVECQKRLQKIHEKNETEKVTLEFADGTFAHVDCVIGADGIRSRVRQHLFGEDSPYSHPHYSHKFAFRGLITMENAISALGEDKARTLNMHVGPNAHLIHYPVANETMVNIAAFVSDPEEWPDKLSLVGPATREEAMGYFANWNPGLRAVLGFMPENIDRWAMFDTYDYPAPFFSRGKICLVGDAAHAAVPHHGAGACIGIEDALCATVLLAEVFVSTRGKSSIVRNRAIAAAFGSFNAVRRVRAQWFVDSSRRVCDLYQQPEWADPQKRIKAENCFEEIKDRSHKIWHFDYNSMLQEAIEKYRHNMGS,Cc1cc(O)c(C)c(O)c1C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],Cc1cc(O)c(C)c(O)c1C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],Cc1cc(O)c(C)c(O)c1C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_82823a9d8c4fe9d464bd58ee,test
catpreddb_kcat_kcat_2f6d9ba0946703,catpred_iteration1_kcat,kcat,O05877,O05877,MDIPSVDVSTATNDGASSRAKGHRSAAPGRRKISDAVYQAELFRLQTEFVKLQEWARHSGARLVVIFEGRDGAGKGGAIKRITEYLNPRVARIAALPAPTDRERGQWYYQRYIAHLPAKGEIVLFDRSWYNRAGVEKVMGFCTPQEYVLFLRQTPIFEQMLIDDGILLRKYWFSVSDAEQLRRFKARRNDPVRQWKLSPMDLESVYRWEDYSRAKDEMMVHTDTPVSPWYVVESDIKKHARLNMMAHLLSTIDYADVEKPKVKLPPRPLVSGNYRRPPRELSTYVDDYVATLIAR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.6222140229662954,,,s_eeacd29ea83c1cabf0711ab1,test
catpreddb_kcat_kcat_2f77291e23f948,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(=O)OCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.1366771398795441,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_2f8d8f4f3bf430,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.4771212547196624,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_2f8f0ca27f9538,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)/C=C/C1=C(C)CCCC1(C)C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_2fab16622b2e1f,catpred_iteration1_kcat,kcat,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,O.O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1,O.O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1,O.O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1>>O=S(=O)([O-])[O-].O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-0.6575773191777937,,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_kcat_kcat_2fcf683bfdb766,catpred_iteration1_kcat,kcat,Q3HW12,Q3HW12,IESQVATVWINRAELHNAFNTQVIEELNHCFTTLNANDDVRVVVLASRGKSFSAGADLNWMKQAGQASKVENEEDALKLAKMLQSLATLKQPTIARVHGIAFGGGMGLASACDICVASTDAKFATSEVRLGLAPSTISPYVIRAIGARQASRYFLTAERISAEQAKHIGLVHEVCQPEQLDATVLEIIDAILLGGPEAQAASKSLIRLVDHQEVTEDLLIQTAQHIAHVRQGDEAKNGLTAFLNKQSPAWIQAEQ,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@@](C)(O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@@](C)(O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@@](C)(O)CC(=O)O>>C/C(=C\C(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,public_strict_iteration1_fulltrue_msa,1.7781512503836436,-1.5228787452803376,,s_bf45c254801263e51a6f4c04,test
catpreddb_kcat_kcat_2febdfb7df97db,catpred_iteration1_kcat,kcat,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,O=P(O)(O)O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O>>O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1.Oc1ncnc2[nH]cnc12,public_strict_iteration1_fulltrue_msa,-0.0457574905606751,,,s_8b157d74d30d5eae406928c9,test
catpreddb_kcat_kcat_30169d9a75eeac,catpred_iteration1_kcat,kcat,P62575,P62575,MSYFRNRDIDIERNSMNRSVQERKCRYSIRKLSVGAVSMIVGAVVFGTSPVLAQEGASEQPLANETQLSGESSTLTDTEKSQPSSETELSGNKQEQERKDKQEEKIPRDYYARDLENVETVIEKEDVETNASNGQRVDLSSELDKLKKLENATVHMEFKPDAKAPAFYNLFSVSSATKKDEYFTMAVYNNTATLEGRGSDGKQFYNNYNDAPLKVKPGQWNSVTFTVEKPTAELPKGRVRLYVNGVLSRTSLRSGNFIKDMPDVTHVQIGATKRANNTVWGSNLQIRNLTVYNRALTPEEVQKRSQLFKRSDLEKKLPEGAALTEKTDIFESGRNGKPNKDGIKSYRIPALLKTDKGTLIAGADERRLHSSDWGDIGMVIRRSEDNGKTWGDRVTITNLRDNPKASDPSIGSPVNIDMVLVQDPETKRIFSIYDMFPEGKGIFGMSSQKEEAYKKIDGKTYQILYREGEKGAYTIRENGTVYTPDGKATDYRVVVDPVKPLWMSYSDDDGKTWSAPQDITPMVKADWMKFLGVGPGTGIVLRNGPHKGRILIPVYTTNNVSHLNGSQSSRIIYSDDHGKTWHAGEAVNDNRQVDGQKIHSSTMNNRRAQNTESTVVQLNNGDVKLFMRGLTGDLQVATSKDGGVTWEKDIKRYPQVKDVYVQMSAIHTMHEGKEYIILSNAGGPKRENGMVHLARVEENGELTWLKHNPIQKGEFAYNSLQELGNGEYGILYEHTEKGQNAYTLSFRKFNWDFLSKDLISPTEAKVKRTREMGKGVIGLEFDSEVLVNKAPTLQLANGKTARFMTQYDTKTLLFTVDSEDMGQKVTGLAEGAIESMHNLPVSVAGTKLSNGMNGSEAAVHEVPEYTGPLGTSGEEPAPTVEKPEYTGPLGTSGEEPAPTVEKPEYTGPLGTAGEEAAPTVEKPEFTGGVNGTEPAVHEIAEYKGSDSLVTLTTKEDYTYKAPLAQQALPETGNKESDLLASLGLTAFFLGLFTLGKKREQ,O,O,O>>CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,4.740283719681879,,,s_238a421411435e5be559acc1,test
catpreddb_kcat_kcat_30173ca070a266,catpred_iteration1_kcat,kcat,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.5376020021010439,,,s_0ad9625fa36195c17c775d5c,test
catpreddb_kcat_kcat_302c7682447a2d,catpred_iteration1_kcat,kcat,P51555,P51555,MSIQKVHAREILDSRGNPTIEVEITTGKGMFRSCVPSGASTGVHEAVELRDGDKKRYGGKGVLKAVENVNTIIGPALLGKNVLNQAELDEMMIKLDGTNNKGKLGANAILGCSMSICRAAAAEKGLPLYKYLAELTGHKEMTMPVPCFNVINGGAHAGNALAMQEFMICPTGATNFHEALRMAAETYQCLKVVIKAKYGQDATNVGDEGGFAPNVSGAREALDLLVEAIAKAGYTGKIEIAMDCAASEFYNEETKKYDLGKKIPADKKDPSLVKDVDGLIAEYVDYGKHYPIASIEDPFAEDDWAAWNKFTVEHGNFQIVGDDLLVTNPARVQMAMDKNACNSVLIKVNQIGTLTETFKTIKMAQEKGWGVMASHRSGETEDTFIADLVVGLNCKQIKTGAPCRSERLCKYNQLMRIEEELGNIPYAGKNWRNSTA,C=C(OP(=O)(O)O)C(=O)O.O,C=C(OP(=O)(O)O)C(=O)O.O,C=C(OP(=O)(O)O)C(=O)O.O>>O=C(O)C(CO)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.740362689494244,,,s_6323b871888386cd68c9066f,test
catpreddb_kcat_kcat_30496ec3e42fe9,catpred_iteration1_kcat,kcat,A0A832T5N0,A0A832T5N0,MIIETPSKVILFGEHAVVYGYRAISMAIDLTSTIEIKETQEDEIILNLNDLNKSLGLNLNEIKNINPNNFGDFKYCLCAIKNTLDYLNIEPKTGFKINISSKIPISCGLGSSASITIGTIKAVSGFYNKELKDDEIAKLGYMVEKEIQGKASITDTSTITYKGILEIKNNKFRKIKGEFEEFLKNCKFLIVYAEKRKKKTAELVNEVAKIENKDEIFKEIDKVIDEALKIKNKEDFGKLMTKNHELLKKLNISTPKLDRIVDIGNRFGFGAKLTGAGGGGCVIILVNEEKEKELLKELNKEDVRIFNCRMMN,C[C@@](O)(CCO)CC(=O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C[C@@](O)(CCO)CC(=O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C[C@@](O)(CCO)CC(=O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C[C@@](O)(CCOP(=O)(O)O)CC(=O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.4548448600085102,,,s_5501434741f9bcf0405706e0,test
catpreddb_kcat_kcat_30754d2e33b560,catpred_iteration1_kcat,kcat,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCCC(=O)CCC1C(O)CC(=O)C1CC=CCCCC(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.835056101720116,,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_kcat_kcat_3075b883b81333,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1c(O)c2ccccc2c2ccccc12,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_307dd90b36f241,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,OCC(Br)CBr,OCC(Br)CBr,OCC(Br)CBr>>Br.BrCC1CO1,public_strict_iteration1_fulltrue_msa,1.1903316981702914,-1.0,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_30a4e959411ac3,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC(O)=NC1CCOC1=O.O,CCCCCCCC(O)=NC1CCOC1=O.O,CCCCCCCC(O)=NC1CCOC1=O.O>>CCCCCCCC(O)=NC(CCO)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.1487416512809247,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_30b7de962cdb70,catpred_iteration1_kcat,kcat,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O>>,public_strict_iteration1_fulltrue_msa,0.8260748027008264,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_30c951174bea36,catpred_iteration1_kcat,kcat,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O.O=O,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O.O=O,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O.O=O>>C=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)=NC1=O.O,public_strict_iteration1_fulltrue_msa,2.765668554759014,,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_kcat_kcat_30fa9bb5cb83d8,catpred_iteration1_kcat,kcat,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.2600713879850747,,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_kcat_kcat_310d06058f88ce,catpred_iteration1_kcat,kcat,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,CCCCCCCl.O,CCCCCCCl.O,CCCCCCCl.O>>CCCCCCO.[Cl-],public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_e220e6dd4311615191e3744b,test
catpreddb_kcat_kcat_3116741380f1f7,catpred_iteration1_kcat,kcat,Q5JD29,Q5JD29,MRYVGRTLGIGLNNGKPFAFYLLCSRSFPNRRAVVKGNGVYILNQTETENPYVSYPVVRLMEDYAVVTNGLHTDFIAQALEWERPRKALVHVLDALDYERDDYSTPRIAGIIQHGGRRGWLGFVGRDMLWMRELELEEGKAFLTATYNMEGFESIELAFSTPEELAEKVMELPFEHKVLAIGIVENEKGWELSFTPSL,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N=CO,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N=CO,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N=CO>>O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.3187587626244128,-2.8068754016455384,,s_3ca07842f436df4703e7cbb5,test
catpreddb_kcat_kcat_3164cbbf4f9baa,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-2.356547323513813,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_318fc066b70e55,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,O=C(O)/C=C\C=C/C(=O)O,O=C(O)/C=C\C=C/C(=O)O,O=C(O)/C=C\C=C/C(=O)O>>O=C(O)CC1C=CC(=O)O1,public_strict_iteration1_fulltrue_msa,5.346352974450639,-0.8860566476931633,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_31aed9acb3bb55,catpred_iteration1_kcat,kcat,W8VZ54,W8VZ54,MTSYDYDYVVIGGGSGGMASSKEAARLGARVALFDFVKPSTQGTKWGLGGTCVNVGCVPKKLMHYAGLLGAGLHDARHFGWRLGEPTHDWTALRTAVQNHVKSLNFGYRNGLRSAKVNYLNQLARFADPHTVEYTEKDGSVKRLTAAHICISVGGRPIIPTDVPGAVEHAITSDDIFALKNAPGRTLVVGASYIALECAGFLNELGYDVTVAVRSIVLRGFDRQCSEKVASLMADIGVKFKYGPLPTKIEKADGQLHVTFSDGTVDTYQTVLYATGRYADTGGLALENAGVVVGKNGKIPVINEVTNVPHIYAVGDIVEGGLELTPVAIRAGELLARRLFAGATEQMDYVNVPTAVFTPFEYGCVGYTEEAAIAKYGEENIETYLFEFASLELGAAHRSKVPARRADEFDDALPLPCLSKLVCLKPEGERVVGFHYVGPNAGEVTQGFALAVILGATKKDFNKVIGIHPTDAESFTALDITRASGQPFAASGGCGGGKCG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-].[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)c1cc(S)ccc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,4.5856862784524965,,,s_e77e91408a71927ee8058d29,test
catpreddb_kcat_kcat_31b6910ec395f0,catpred_iteration1_kcat,kcat,Q3JFG0,Q3JFG0,MAGAPGRRRSVRRRAALPALPATKQTQPPKQHERAAEAPSPEPQADTPYRTPTMTTPVFDAAQTARVTPFAELVDALRTAALDADAGRIESPARLVVPLNEGGVMLSMPASAADLAIHKLVTVCPRNRGGDLPTIQGQVSVVDPATGAPLFALDGPTVTGRRTAAVTLLALRTFVAAAPRDVLLIGTGTQAAHHVEALAALFPGVRVRVKARAPAQAAAFCARLRAVLPTLEPLGGDTLPETLDAVITATTSATPVYDDAARAGRLVVGVGAFTPGAAEVGARTIAGSALYVDDPAGARHEAGDLIVAGVDWARVRSLADALRATVSTPASNASPAPGAPVFFKSVGCAAWDLAACRVARAVTSRTRACT,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C1CCCN1,public_strict_iteration1_fulltrue_msa,0.8920946026904804,,,s_19ed6e5da2719650b2a814ae,test
catpreddb_kcat_kcat_31d112444dc51d,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,O,O,O>>NC(Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,2.0569048513364727,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_31dd393e364c3e,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,-1.4814860601221125,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_31df4c337dcd75,catpred_iteration1_kcat,kcat,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,1.1172712956557642,,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_kcat_kcat_31ea5ae95296e5,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CCCC1.[H+],public_strict_iteration1_fulltrue_msa,-1.1426675035687317,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_321fff358d7740,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.9344984512435676,,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_322ecc6672630a,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.10790539730952,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_324cf205b768b2,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,O.O=C(N=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(O)n1)c1ccccc1,O.O=C(N=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(O)n1)c1ccccc1,O.O=C(N=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(O)n1)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_325742db51fc40,catpred_iteration1_kcat,kcat,I3EBM6,I3EBM6,MPLVSMTEMLNKAKAEGYAVGQFNLNNLEFTQAILLAAEEEKSPVILGVSEGAGRYMGGFKTVVNMVKGLMEDYKITVPVAIHLDHGSSFEKCKEVIDAGFTSVMIDASHHPFEENVEVTKKVVEYAHARGVSVEAELGTVGGQEDDVIADGVIYADPKECEELVKRTGIDCLAPALGSVHGPYKGEPNLGFKEMEEIGRITGVPLVLHGGTGIPTKDIQRAISLGTAKINVNTENQIASAKKVREVLAENPNMYDPRKYLGPARDAIKETVIGKMREFGSSGKA,O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O,O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O,O=C(CO)COP(=O)(O)O.O=CC(O)COP(=O)(O)O>>O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.2518119729937995,,,s_dfd08d794d93cb583b2aee40,test
catpreddb_kcat_kcat_32781267185e23,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1Nc2ccccc2C1=O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1Nc2ccccc2C1=O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1Nc2ccccc2C1=O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.7375489102695706,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_32a6aa153fbc3a,catpred_iteration1_kcat,kcat,A1B5Y0,A1B5Y0,MKDMPAMPADTPSALLALAGEALPELESLQSRATEALRALVAPAGKPQPALLEQHQHAAHALSWLTTYVESIRQLSGWAGRLAEAGNLGRIEALILQIGLGEYLGQIAGGIPMSQTEFARLSDLELDWQPGEAAAKLMRGNTAPARAELARLMQDNHGRATFGATGLDEDLEMIRDQFRRYAEERVIPNAHEWHLKDQLIPMEIIEELAELGVFGLTIPEEFGGLGLSKASMVVVTEELSRGYIGVGSLGTRSEIAAELILCGGTEAQKAKWLPGLASGEILSTAVFTEPNTGSDLGSLRTRAVRDGEDWVVTGNKTWITHAQRTHVMTLLARTDPETTDWRGLSMFLAEKEPGTDDDPFPTPGMTGGEIEVLGYRGMKEYELGFDGFRIKGENLLGGEPGRGFKQLMETFESARIQTAARAVGVAQSAAEIGMRYAVDRKQFGKSLIEFPRVADKLAMMAVEIMIARQLTYFSAWEKDHGRRCDLEAGMAKLLGARVAWAAADNALQIHGGNGFALEYAISRVLCDARILNIFEGAAEIQAQVIARRLLD,C[C@@H](CC(=O)O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@@H](CC(=O)O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@@H](CC(=O)O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>C/C(=C\C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.9153998352122696,-1.0969100130080565,,s_06336288782a4555f90a1fa1,test
catpreddb_kcat_kcat_32c1832521cfbc,catpred_iteration1_kcat,kcat,P50281,P50281,MSPAPRPPRCLLLPLLTLGTALASLGSAQSSSFSPEAWLQQYGYLPPGDLRTHTQRSPQSLSAAIAAMQKFYGLQVTGKADADTMKAMRRPRCGVPDKFGAEIKANVRRKRYAIQGLKWQHNEITFCIQNYTPKVGEYATYEAIRKAFRVWESATPLRFREVPYAYIREGHEKQADIMIFFAEGFHGDSTPFDGEGGFLAHAYFPGPNIGGDTHFDSAEPWTVRNEDLNGNDIFLVAVHELGHALGLEHSSDPSAIMAPFYQWMDTENFVLPDDDRRGIQQLYGGESGFPTKMPPQPRTTSRPSVPDKPKNPTYGPNICDGNFDTVAMLRGEMFVFKERWFWRVRNNQVMDGYPMPIGQFWRGLPASINTAYERKDGKFVFFKGDKHWVFDEASLEPGYPKHIKELGRGLPTDKIDAALFWMPNGKTYFFRGNKYYRFNEELRAVDSEYPKNIKVWEGIPESPRGSFMGSDEVFTYFYKGNKYWKFNNQKLKVEPGYPKSALRDWMGCPSGGRPDEGTEEETEVIIIEVDEEGGGAVSAAAVVLPVLLLLLVLAVGLAVFFFRRHGTPRRLLYCQRSLLDKV,COc1ccc2c(CC(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)cc(=O)oc2c1.O,COc1ccc2c(CC(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)cc(=O)oc2c1.O,COc1ccc2c(CC(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)cc(=O)oc2c1.O>>,public_strict_iteration1_fulltrue_msa,-1.259637310505756,,,s_5f83c7ecb5c2eb7ffdf8d83f,test
catpreddb_kcat_kcat_3330180472db43,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1CCCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-2.1249387366083,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_33307cad606464,catpred_iteration1_kcat,kcat,P76469,P76469,MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGERGVGASVARAARWGRIENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDTMLYSDALDQRLAMFKSGKNGPRIKGSY,C[C@H](O)[C@H](O)CC(=O)C(=O)O,C[C@H](O)[C@H](O)CC(=O)C(=O)O,C[C@H](O)[C@H](O)CC(=O)C(=O)O>>CC(=O)C(=O)O.C[C@H](O)C=O,public_strict_iteration1_fulltrue_msa,-0.3979400086720376,-1.1079053973095196,,s_1eea168d88c64a23075eba19,test
catpreddb_kcat_kcat_338f3ccbee80b9,catpred_iteration1_kcat,kcat,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,O,O,O>>,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_9c1c54ef2ef457891b120064,test
catpreddb_kcat_kcat_33b5d1042fcac5,catpred_iteration1_kcat,kcat,P16330,P16330,MNTSFTRKSHTFLPKLFFRKMSSSGAKEKPELQFPFLQDEDTVATLHECKTLFILRGLPGSGKSTLARLILEKYHDGTKMVSADAYKIIPGSRADFSEAYKRLDEDLAGYCRRDIRVLVLDDTNHERERLDQLFEMADQYQYQVVLVEPKTAWRLDCAQLKEKNQWQLSADDLKKLKPGLEKDFLPLYFGWFLTKKSSETLRKAGQVFLEELGNHKAFKKELRHFISGDEPKEKLELVSYFGKRPPGVLHCTTKFCDYGKAAGAEEYAQQEVVKRSYGKAFKLSISALFVTPKTAGAQVVLTDQELQLWPSDLDKPSASEGLPPGSRAHVTLGCAADVQPVQTGLDLLDILQQVKGGSQGEAVGELPRGKLYSLGKGRWMLSLTKKMEVKAIFTGYYGKGKPVPIHGSRKGGAMQICTII,N=C(O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OP(=O)([O-])O[C@@H]43)[C@@H](O)[C@@H]2O)c1.O,N=C(O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OP(=O)([O-])O[C@@H]43)[C@@H](O)[C@@H]2O)c1.O,N=C(O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OP(=O)([O-])O[C@@H]43)[C@@H](O)[C@@H]2O)c1.O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.9731278535996988,,,s_377174b0ce9ec2748c915a4b,test
catpreddb_kcat_kcat_33b9171e8863d0,catpred_iteration1_kcat,kcat,G7J2E9,G7J2E9,MSSSSKSLKIGIVGFGTFGQFLANTMIKQGHTLTATSRTDYSQLCDQMGIHFFRDITAFLDADMDVILLCTSISSLSEVVGSMPLACLKRPTLFVDVLSVKEHPKNLLLKVLPEESDILCTHPMFGPVSGKNGWQNLTFMFDKVRIKDEVTCSKFLQIFASEGCKMVEMSCEEHDKAAAKSQFITHTIGRTLAEMDIKSTPIDTKGFQTLVELKKPVMGCSFDLYSGLFVYNRFARQELENLEHALHKVKEMLVQRIDEGQNPERTES,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,1.3384564936046048,,,s_c03ce9b8d1982c7525766374,test
catpreddb_kcat_kcat_33c76114af3613,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Oc1c(O)c2ccccc2c2ccccc12,public_strict_iteration1_fulltrue_msa,3.71566914240099,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_33c85301f2fe2e,catpred_iteration1_kcat,kcat,P16330,P16330,MNTSFTRKSHTFLPKLFFRKMSSSGAKEKPELQFPFLQDEDTVATLHECKTLFILRGLPGSGKSTLARLILEKYHDGTKMVSADAYKIIPGSRADFSEAYKRLDEDLAGYCRRDIRVLVLDDTNHERERLDQLFEMADQYQYQVVLVEPKTAWRLDCAQLKEKNQWQLSADDLKKLKPGLEKDFLPLYFGWFLTKKSSETLRKAGQVFLEELGNHKAFKKELRHFISGDEPKEKLELVSYFGKRPPGVLHCTTKFCDYGKAAGAEEYAQQEVVKRSYGKAFKLSISALFVTPKTAGAQVVLTDQELQLWPSDLDKPSASEGLPPGSRAHVTLGCAADVQPVQTGLDLLDILQQVKGGSQGEAVGELPRGKLYSLGKGRWMLSLTKKMEVKAIFTGYYGKGKPVPIHGSRKGGAMQICTII,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OP(=O)(O)O[C@H]21.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OP(=O)(O)O[C@H]21.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OP(=O)(O)O[C@H]21.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.9731278535996988,,,s_377174b0ce9ec2748c915a4b,test
catpreddb_kcat_kcat_33cc932728b29f,catpred_iteration1_kcat,kcat,C9WCQ0,C9WCQ0,MAIQYFFLLLLVFSAVCSHGARHMPFSIINLDKNTGKSYKMFDEKDLTRNDFPKNFAFGTATSAFQIEGVTHRGFNIWDSFTHRYPEKSTDGSYGDIAADSYHLYKTDVKMMKDMGADAYRFSIAWSRILPNGRINGEINKEGIQYYKNLIDELLANDIEPFVTIFHWDVPQTLEDMYGGLLDRNFVSHYRDFANLCFKEFGDKVKYWITFNQPYSLGFNAYGKGEQAPGRCSSWMNKNCTGGDSGTEPYIVAYHELIAHAEVVQLYRREYKEIQRGHIGITLVANWFWPLTDTKADIDAAQRAQDFKLGWFLDPIMFGDYPASMKELVGKRLPQFAPWESELIKGSIDFIGLNYYFPLFAYNKPTPDPKKPSVLTDGRFGTIDNRDGVMIGINSTLFCYNATGFYDLLTYMRNKYNNPLIYITENGYADSSAISLNETLTDVGRIDYYQAHIAVLKQAIDEGSNIAGYFAWSLLDNYEFVQGFSVRFGLHYLDYKNPSDRRPKASALWFTDFLNPDSKEVA,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>C=CCC(S)=NOS(=O)(=O)O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.8149131812750736,,,s_9246fe2dd98fb491aefe0b4d,test
catpreddb_kcat_kcat_33ccb745c2268b,catpred_iteration1_kcat,kcat,A0A832T1J7,A0A832T1J7,MNKAVIYTLPKGTYSEKATKKFLDYIDGDYKIDYCNSIYDVFERVDNNGLGVVPIENSIEGSVSLTQDLLLQFKDIKILGELALDIHHNLIGYDKNKIKTVISHPQALAQCRNYIKKHGWDVKAVESTAKAVKIVAESKDETLGAIGSKESAEHYNLKILDENIEDYKNNKTRFILIGKKVKFKYHPKNYKVSIVFELKEDKPGALYHILKEFAERNINLTRIESRPSKKRLGTYIFYIDFENNKEKLEEILKSLERHTTFINLLGKYPVFD,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>O.O=C(O)C(=O)Cc1ccccc1.O=C=O,public_strict_iteration1_fulltrue_msa,1.089905111439398,-1.6575773191777938,,s_8228c0998e0f613a450b0a14,test
catpreddb_kcat_kcat_3403be312c95b0,catpred_iteration1_kcat,kcat,P80928,P80928,MPMFVVNTNVPRASVPDGFLSELTQQLVQAMGKPAQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRIYINYYDMNAANVGWNGSTFA,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1>>O=C(O)/C(O)=C\c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.2764618041732441,-0.2403545255663001,,s_88d8e4cd760ca6d42c4e359f,test
catpreddb_kcat_kcat_342da9e05791e1,catpred_iteration1_kcat,kcat,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,3.0507663112330423,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_343caccb1b5655,catpred_iteration1_kcat,kcat,D6XUS4,D6XUS4,MKPYLKEDPWSIIEEGFDKDKHEISESVFSLGNGHMGQRANFEETYTGSTLQGSYMAGVYYPDKTRVGWWKNGYPEYFAKVLNATNWIGLDISVDGTELDLNRAEVNDFVRELNMKEGYLKRSFRATIADGKDIKVEATRFVSVAMKEIGAIEYKITPLTFDGELTLRSYLDGDIMNKDANYDEKFWSKVSESAEGSRAHVTVKTKKLDFVYASLKETKVVHAGEEISPAECKTAEKYAEVTFTAPLKKNEATTIYKFAANVTNRDHEDQKLLDVAKEKLNQAIEKGFDTLKKEQADEWNKKWEDSDIVIEGDVAAQQGIRFNIFQMNQTYTGEDARLNIGPKGFTGEKYGGSTYWDTEAYCLPFYLATADQRIPKNLLVYRHNHLEKAKENAGKLGFTKGALYPMVTMNGEESHNEWEITFEEIHRNGAIAYAIYNYVNYTGDKSYIGELGIEVLVEISRFWEERVHYVPKKDVYMMHGVTGPNEYENNVNNNWYTNRIASWTLEYTLFALDYLKDSDPELYKKWITKLDLKDHETEKWLTIIDKMYYPEDKENGIFLQADNFEDKEIMPVSDLDEKHLPLNQNWSWDRILRSCFIKQADVLQGMYFLNHEFDIETKKRNFDYYEPMTVHESSLSPCVHSILACELGYKEKAYEMYLRTARLDLDNYNNDTEDGCHITSMAGTWMSVVEGFGGMKVKNDQLILNPFIPGQWSSFSFKVVFRGTRLLIKVTQDQVVVNNETDVKADLVIHGETYSLDGKGELSINH,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.8195439355418687,,,s_c22cc2f9542b8c837fc60478,test
catpreddb_kcat_kcat_34444e8a6e1fbe,catpred_iteration1_kcat,kcat,Q7WG29,Q7WG29,MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLATNQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACRKPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGRKTLAQGGLPEGTRVCEDLAAVAEQLLQEA,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>O=C(COP(=O)(O)O)C(O)C(O)C(O)CO.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.2596373105057561,,,s_f6b925754d8a6e851a8f041b,test
catpreddb_kcat_kcat_34889533c4047d,catpred_iteration1_kcat,kcat,Q5JDU3,Q5JDU3,MHATLREIKRTPEGIKTAQRAFEEFVTNSDFLLPREVVYTGCGSSHFLSQPLAMATTRLGGRGVALPCSELLYSREYYPVGKPELLVSISRSGETTEAVKALESLDVPKFALTAYESTLSRKADYALIVPTHEESVVMTHSFTAFYFAFLQLLNASFGLETYDAEMTSELTREALKNEGYIREITGEFDFRNVIFLGSGILYPIALEAMLKMKEMALFWSEAYQTFEVRHGFKSVADEGTLVVLLVNEPFDWHEKLTKEFQGQGARVLTIGNGDTGADYFIDLPKVDELLTPILHLPIIQLLSYYKAIKRGLNPDQPRFLSKVVKW,N.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,N.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,N.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>NC1C(O)OC(COP(=O)(O)O)C(O)C1O.O,public_strict_iteration1_fulltrue_msa,1.645422269349092,,,s_cc632dcefc744f0431f95130,test
catpreddb_kcat_kcat_34ab6f23a4ee1c,catpred_iteration1_kcat,kcat,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.2232988160115891,,,s_7c84c2d6fea9905641654dda,test
catpreddb_kcat_kcat_34abdc8f5c9546,catpred_iteration1_kcat,kcat,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,0.0899051114393979,,,s_d45caf713d065ae4220c2800,test
catpreddb_kcat_kcat_34b4149443790e,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-1.6020599913279625,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_34b8fb96155fa2,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O>>,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_34c3a976da70fa,catpred_iteration1_kcat,kcat,P26221,P26221,MSVTEPPPRRRGRHSRARRFLTSLGATAALTAGMLGVPLATGTAHAEPAFNYAEALQKSMFFYEAQRSGKLPENNRVSWRGDSGLNDGADVGLDLTGGWYDAGDHVKFGFPMAFTATMLAWGAIESPEGYIRSGQMPYLKDNLRWVNDYFIKAHPSPNVLYVQVGDGDADHKWWGPAEVMPMERPSFKVDPSCPGSDVAAETAAAMAASSIVFADDDPAYAATLVQHAKQLYTFADTYRGVYSDCVPAGAFYNSWSGYQDELVWGAYWLYKATGDDSYLAKAEYEYDFLSTEQQTDLRSYRWTIAWDDKSYGTYVLLAKETGKQKYIDDANRWLDYWTVGVNGQRVPYSPGGMAVLDTWGALRYAANTAFVALVYAKVIDDPVRKQRYHDFAVRQINYALGDNPRNSSYVVGFGNNPPRNPHHRTAHGSWTDSIASPAENRHVLYGALVGGPGSPNDAYTDDRQDYVANEVATDYNAGFSSALAMLVEEYGGTPLADFPPTEEPDGPEIFVEAQINTPGTTFTEIKAMIRNQSGWPARMLDKGTFRYWFTLDEGVDPADITVSSAYNQCATPEDVHHVSGDLYYVEIDCTGEKIFPGGQSEHRREVQFRIAGGPGWDPSNDWSFQGIGNELAPAPYIVLYDDGVPVWGTAPEEGEEPGGGEGPGGGEEPGEDVTPPSAPGSPAVRDVTSTSAVLTWSASSDTGGSGVAGYDVFLRAGTGQEQKVGSTTRTSFTLTGLEPDTTYIAAVVARDNAGNVSQRSTVSFTTLAENGGGPDASCTVGYSTNDWDSGFTASIRITYHGTAPLSSWELSFTFPAGQQVTHGWNATWRQDGAAVTATPMSWNSSLAPGATVEVGFNGSWSGSNTPPTDFTLNGEPCALA,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,-1.6989700043360187,,,s_0e997f70382eb1f8c86d7e42,test
catpreddb_kcat_kcat_34fac437ea0a14,catpred_iteration1_kcat,kcat,A8Q3I7,A8Q3I7,MLQEIGAWPVWQQALTFLVGGLALIVGINVLVQVLVPRNKSLPPMVFHWVPVVGSAITYGMDPYRFFFNCREKYGDVFTFKLFGRNVTVALGPKGSNLVFNGRLTQVSAEEAYTSLTTPVFGKGVVYDVPNAVLMEQKRFVKSGLSMENFRMYVTQIESEVKDFINNDAAFLPLQKGATSVTVDIFNVFSEITILTASRTLQGKEVRESLDKTFAKLYHDLDSGFTPINFVIPNLPLPNNFRRDRAQRLMSDFYLGIIKKRREGNTEGTEHDMISALMEQSYKNGRNINDREIAHMMIALLMAGQHTSSATGSWAMLRLASRPEIIEELYEEQKRVYSDGTGGFAPLDYDIQKSSVPVLDAVIRETLRLHPPIHSIMRKVKSDMVVPPTLAAPISSKGSRDETYVIPKGHYVIAAPGVSQVDPKIWEDASRFDPHRWLGDKANVMNQTDDAQEDFGWGMVSTGANSPYLPFGAGRHRCIGEQFAYLQLGTIISTFVRAFDWRLETKLPAPDYTSMVVLPTQPANLVFTPRKNKA,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C.O=O,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C.O=O,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C.O=O>>,public_strict_iteration1_fulltrue_msa,-1.2218487496163564,,,s_f75b3d4434514f1803ffdf0f,test
catpreddb_kcat_kcat_350230c9c8a000,catpred_iteration1_kcat,kcat,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.9395192526186184,,,s_feb69b7c7de35df748b92a04,test
catpreddb_kcat_kcat_3518f99826625d,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,2.60422605308447,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_354f318568389e,catpred_iteration1_kcat,kcat,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>N=C(N)NCCC[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,,,s_0c3e58e911f51068e88986ab,test
catpreddb_kcat_kcat_3553046acbdb56,catpred_iteration1_kcat,kcat,Q10SX6,Q10SX6,MARGVSYVSAAQLVPMLRDPRIAVVDVRDEERIYDAHIAGSHHYASDSFGERLPELAQATKGKETLVFHCALSKVRGPSCAQMYLDYLSEADEDSDVKNIMVLERGFNGWELSGRPVCRCKDAPCKGVCS,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[As]([O-])([O-])[O-].[H],NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[As]([O-])([O-])[O-].[H],NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[As]([O-])([O-])[O-].[H]>>O.[O-][As]([O-])[O-],public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_9378482e2518ffcd1f779199,test
catpreddb_kcat_kcat_3557458df24ebc,catpred_iteration1_kcat,kcat,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_kcat_kcat_357695e2e05648,catpred_iteration1_kcat,kcat,S0APF4,S0APF4,MSLKSDFTIDVIDTHTEGEPTRIMFWNNIPKNLRDALSVRKYFIDHYDYIRKILLLEPRGHKDQFGAILLPPVNPDSDYTVIYPTTESYLDMCGHATIGVSTALVALGYVPFEGNEKTLVYDTVAGTVKAMVKIENGEPVSVSIVDVKSYFVKKIKVNVNGKNVDVNISYGGNFYAIVNSKDLGVDVEPEYIDDLLAYGKIIREKAYETLKELYPENRKNLEPLAMITDNNHDYRAIVTFAGNSFDRSPCGTGTAARAAFLVHEGKLKLDGSYVNESILRTKFECRIISWEKVNDTIAIIPEITGRAWVTQLCKIIVDPSDPLKHGFLVQ,O=C(O)[C@H]1CCCN1,O=C(O)[C@H]1CCCN1,O=C(O)[C@H]1CCCN1>>O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,-0.9244530386074692,0.0681858617461616,,s_4b61fa4180484f6128f2d723,test
catpreddb_kcat_kcat_357c9d5a179c9d,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(OC4O[C@H](CO)C(O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(OC4O[C@H](CO)C(O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(OC4O[C@H](CO)C(O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O>>CC(=O)O.CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.986323777050765,-0.6550792954312475,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_3598e2ace2d307,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,NCCc1ccc(O)c(O)c1.O=O,NCCc1ccc(O)c(O)c1.O=O,NCCc1ccc(O)c(O)c1.O=O>>NCCC1=CC(=O)C(=O)C=C1.O,public_strict_iteration1_fulltrue_msa,1.7853298350107671,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_35a0b6f1e82a76,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.1903316981702915,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_35b03a4342ede9,catpred_iteration1_kcat,kcat,A0A067YIW8,A0A067YIW8,MAIPDEFDIIVVGGGSTGCCIAGRLGNLDPNVTVALIEGGENNLNNPWVYLPGVYPRNMRLDSKTATFYEARPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWESEGWTTDELMPLIRKLETYQRPCNNRELHGFDGPIKVSFGNYTYPTCQDFLRACESQGIPYVDDLEDFKTSHGAEHWLKWINRDLGRRSDTAHAYIHPTMRNKQNLFLITSTKCDKVIIEDGKAVAVKTVAMKPVNTKKCHGRTYKARKQIVVSCGTISSPLVLQRSGIGAAHHLRSVGIKPIVDLPGVGENFQDHYCFFTPYYVKPGVPTFDDFVRGDPVAQKSAFDQWYSNKDGPLTTNGIEAGVKIRPTEEELATADEDFRAGYADYFENKPDKPLMHYSVISGYFGDHTKIPNGKFMTMFHFLEYPFSRGFVRVTSANPYDAPDFDTGFLNDERDLWPMVWAYKKSRETARRMESFAGEVTSHHPLFKVDSPARAKDLDLETCNAFAGPNHLTANLYHGSWTVPIEKPSGKNTQHVSSNQVEIFSDIEYSAEDDEAIVNYIKEHTETTWHCLGTCSMAPREGSKIAPKGGVVDCRLNVHGVQNLKVADLSICPDNVGCNTYSTALTIGEKCATLVAEDLGYSGSDLDMTIPNFKLGTYEETGLARF,CCO.O=O,CCO.O=O,CCO.O=O>>CC=O.OO,public_strict_iteration1_fulltrue_msa,2.0166155475571776,,,s_fd3ef2f6ad3f9712e85b68df,test
catpreddb_kcat_kcat_35b28843e15ba3,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-2.130768280269024,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_35c95d67bca593,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O>>CC(C)C[C@H](N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(O)=NCC(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.0824944904474533,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_36050e7f7fb0f4,catpred_iteration1_kcat,kcat,A0A1A6GB48,A0A1A6GB48,MTANAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIIDINTAKTEGDAIDLSHALAFTSPKKIYSASYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINREVVTQIVDSGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVKNNPDVDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVYMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKDILDEAFAKLDAE,CC(=O)C(=O)O.CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)O.CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)O.CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.C[C@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,3.204119982655925,,,s_6a522ceae28ae67fd03287b1,test
catpreddb_kcat_kcat_366def4594e0a5,catpred_iteration1_kcat,kcat,C4MB67,C4MB67,MKKIFVIGITGSICSGKSRLCKALQSKGIKTIDSDTIGHDVILQEDVKKEIKESFGEEVFNEEGQVDRKRLSDVVFTNKKQLKKLNEIMWNSIENKIKEQIQQLEIQGEKIVAVEAALLIRTNWMSWMDMIWVTTVSPEIAIARMTAGRGMTREECINRMKNQPSSREYARYADILFDTRFNRGTLERIFNREINAFLIDFNENKF,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.1702617153949573,,,s_1698d105881e5c9fcbbe5449,test
catpreddb_kcat_kcat_36b587d5edfca9,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC1OC(O)C(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(O)C(O)C(O)C(O)CO.[H],public_strict_iteration1_fulltrue_msa,1.678518379040114,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_36bf68b4199233,catpred_iteration1_kcat,kcat,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCCCCCCN.O,CC(O)=NCCCCCCCCN.O,CC(O)=NCCCCCCCCN.O>>CC(=O)O.NCCCCCCCCN,public_strict_iteration1_fulltrue_msa,-0.6777807052660807,,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_kcat_kcat_370edd72e02cb9,catpred_iteration1_kcat,kcat,A0A068EFN3,A0A068EFN3,MKALVLSGGSGTRLRPFSYSMPKQLIPIANKPVLEHVLENVKELGVTEIGVVVGGRLSQIQTVFGDGSDLGVRITYIEQEAPLGLAHCVSLARPFLADDDFVMYLGDNMLPEGVKPIAEEFTADRPDAQVVVHKVADPRAFGVAELDAEGGVERLVEKPQQPRSDLALIGVYFFTSAIHEAVAAIEPSARGELEITDAIQWLVTHGRDVRASVYDGYWKDTGRVDDVLECNRELLDGLRPSVDGEVDAVSTLIGRVVVERGARVIGSRIEGPAIIGAGTVVTDSRIGPYTSIGKDCVLTDTDIEYSIALDGATVSEVRGLRSSIIGRFASVGPAGQDTPHHRLVVGDHTRVEVAA,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.4623979978989561,,,s_544aa87a3b783c281f587714,test
catpreddb_kcat_kcat_3714ed4b84e4db,catpred_iteration1_kcat,kcat,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.0453229787866574,,,s_5d8a48951c6d113a6eb95684,test
catpreddb_kcat_kcat_373d83d13239a8,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.3979400086720376,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_37673eda1b8528,catpred_iteration1_kcat,kcat,Q9KHJ9,Q9KHJ9,MTFVIELDMNVTLDQLEDAARQRTPVELSAPVRSRVRASRDVLVKFVQDERVIYGVNTSMGGFVDHLVPVSQARQLQENLINAVATNVGAYLDDTTARTIMLSRIVSLARGNSAITPANLDKLVAVLNAGIVPCIPEKGSLGTSGDLGPLAAIALVCAGQWKARYNGQIMPGRQALSEAGVEPMELSYKDGLALINGTSGMVGLGTMVLQAARRLVDRYLQVSALSVEGLAGMTKPFDPRVHGVKPHRGQRQVASRLWEGLADSHLAVNELDTEQTLAGEMGTVAKAGSLAIEDAYSIRCTPQILGPVVDVLDRIGATLQDELNSSNDNPIVLPEEAEVFHNGHFHGQYVAMAMDHLNMALATVTNLANRRVDRFLDKSNSNGLPAFLCREDPGLRLGLMGGQFMTASITAETRTLTIPMSVQSLTSTADFQDIVSFGFVAARRAREVLTNAAYVVAFELLCACQAVDIRGADKLSSFTRPLYERTRKIVPFFDRDETITDYVEKLAADLIAGEPVDAAVAAH,N[C@H](CC(=O)O)c1ccccc1,N[C@H](CC(=O)O)c1ccccc1,N[C@H](CC(=O)O)c1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.6575773191777937,-1.3979400086720375,,s_f6cd12b7ddcd4360f2b97bfe,test
catpreddb_kcat_kcat_3775ade60741ff,catpred_iteration1_kcat,kcat,Q52675,Q52675,MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPTPMLEGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPQGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGADHVTPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPYLMGETDSTPKTAEWASDISGVPAETIKELARLFISKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSYHYSGGGTPSTSGPALSGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFIVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAVAERLGKGKEFTEGKDEMGWIKSFYDDAAKQGKAGGVEMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVLAEVEKYTGPAVTLTGFVAPKAAE,C1=CN(Cc2ccccc2)C=CC1C1C=CN(Cc2ccccc2)C=C1.CS(C)=O,C1=CN(Cc2ccccc2)C=CC1C1C=CN(Cc2ccccc2)C=C1.CS(C)=O,C1=CN(Cc2ccccc2)C=CC1C1C=CN(Cc2ccccc2)C=C1.CS(C)=O>>CSC.O.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,public_strict_iteration1_fulltrue_msa,2.672097857935717,,,s_40f832a68f29dbf50e94d9c3,test
catpreddb_kcat_kcat_37bf2cc06164a0,catpred_iteration1_kcat,kcat,Q45515,Q45515,MTKLIKNGTIVTATDIYEADLLIQDGKIAVIGRNLDESGAEVIDATGCYVFPGGIDPHTHLDMPFGGTVTKDDFESGTIAAAFGGTTTIIDFCLTNKGEPLKKAIETWHNKATGKAVIDYGFHLMISEITDDVLEELPKVIEEEGITSFKVFMAYKDVFQADDGTLYRTLVAAKELGALVMVHAENGDVIDYLTKKALEDGHTDPIYHALTRPPELEGEATGRACQLTELAGSQLYVVHVSCAQAVEKIAEARNKGLNVWGETCPQYLVLDQSYLEKPNFEGAKYVWSPPLREKWHQEVLWNALKNGQLQTLGSDQCSFDFKGQKELGRGDFTKIPNGGPIIEDRVSILFSEGVKKGRITLNQFVDIVSTRIAKLFGLFPKKGTIAVGADADLVIFDPTVERVISAETHHMAVDYNPFEGMKVTGEPVSVLCRGEFVVRDKQFVGKPGYGQYVKRAKYGALMADQDVVKMS,O.OC1=NC(c2ccc(O)cc2)C(O)=N1,O.OC1=NC(c2ccc(O)cc2)C(O)=N1,O.OC1=NC(c2ccc(O)cc2)C(O)=N1>>N=C(O)N[C@@H](C(=O)O)c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.255272505103306,,,s_b9b722591a44bf1589514ef5,test
catpreddb_kcat_kcat_37c1c17a97d77e,catpred_iteration1_kcat,kcat,O07529,O07529,MNMLVINGTPRKHGRTRIAASYIAALYHTDLIDLSEFVLPVFNGEAEQSELLKVQELKQRVTKADAIVLLSPEYHSGMSGALKNALDFLSSEQFKYKPVALLAVAGGGKGGINALNNMRTVMRGVYANVIPKQLVLDPVHIDVENATVAENIKESIKELVEELSMFAKAGNPGV,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.812913356642856,,,s_51b28bd3ae8d4e00b6efac4c,test
catpreddb_kcat_kcat_37cc4901baaba4,catpred_iteration1_kcat,kcat,P11454,P11454,MSQHLPLVAAQPGIWMAEKLSELPSAWSVAHYVELTGEVDSPLLARAVVAGLAQADTLRMRFTEDNGEVWQWVDDALTFELPEIIDLRTNIDPHGTAQALMQADLQQDLRVDSGKPLVFHQLIQVADNRWYWYQRYHHLLVDGFSFPAITRQIANIYCTWLRGEPTPASPFTPFADVVEEYQQYRESEAWQRDAAFWAEQRRQLPPPASLSPAPLPGRSASADILRLKLEFTDGEFRQLATQLSGVQRTDLALALAALWLGRLCNRMDYAAGFIFMRRLGSAALTATGPVLNVLPLGIHIAAQETLPELATRLAAQLKKMRRHQRYDAEQIVRDSGRAAGDEPLFGPVLNIKVFDYQLDIPDVQAQTHTLATGPVNDLELALFPDVHGDLSIEILANKQRYDEPTLIQHAERLKMLIAQFAADPALLCGDVDIMLPGEYAQLAQLNATQVEIPETTLSALVAEQAAKTPDAPALADARYLFSYREMREQVVALANLLRERVPPGVAGDLYLTGIQLAQGYLGRPDLTASRFIADPFAPGERMYRTGDVARWLDNGAVEYLGRSDDQLKIRGQRIELGEIDRVMQALPDVEQAVTHACVINQAAATGGDARQLVGYLVSQSGLPLDTSALQAQLRETLPPHMVPVVLLQLPQLPLSANGKLDRKALPLPELKAQAPGRAPKAGSETIIAAAFSSLLGCDVQDADADFFALGGHSLLAMKLAAQLSRQVARQVTPGQVMVASTVAKLATIIDAEEDSTRRMGFETILPLREGNGPTLFCFHPASGFAWQFSVLSRYLDPQWSIIGIQSPRPNGPMQTAANLDEVCEAHLATLLEQQPHGPYYLLGYSLGGTLAQGIAARLRARGEQVAFLGLLDTWPPETQNWQEKEANGLDPEVLAEINREREAFLAAQQGSTSTELFTTIEGNYADAVRLLTTAHSVPFDGKATLFVAERTLQEGMSPERAWSPWIAELDIYRQDCAHVDIISPGTFEKIGPIIRATLNR,N[C@@H](CO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](CO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](CO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)[C@@H](N)CO)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-2.0809219076239263,,,s_4002fb9f07732a305028fc1e,test
catpreddb_kcat_kcat_37e3e920dd517f,catpred_iteration1_kcat,kcat,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,CSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)O,CSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)O,CSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)O>>CSC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1ncnc2[nH]cnc12,public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_8b157d74d30d5eae406928c9,test
catpreddb_kcat_kcat_37f23bac50f5ec,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC1CCC(=O)O1.O,CCCCCCCC1CCC(=O)O1.O,CCCCCCCC1CCC(=O)O1.O>>CCCCCCCC(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,0.3324384599156053,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_37f33b1ec04d5a,catpred_iteration1_kcat,kcat,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8C(=O)O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8C(=O)O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8C(=O)O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.9258275746247424,,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_kcat_kcat_383908cfd10c32,catpred_iteration1_kcat,kcat,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_383f88318659e4,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)C=C1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)C=C1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)C=C1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.380211241711606,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_385b024a3771c2,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,-0.6777807052660807,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_3870bffb123528,catpred_iteration1_kcat,kcat,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,N[C@H](CCC(=O)O)C(=O)O.O.O=O,N[C@H](CCC(=O)O)C(=O)O.O.O=O,N[C@H](CCC(=O)O)C(=O)O.O.O=O>>N.O=C(O)CCC(=O)C(=O)O.OO,public_strict_iteration1_fulltrue_msa,1.957607287060096,,,s_d9fe73494ede26238d4e9e26,test
catpreddb_kcat_kcat_389ca47d861daa,catpred_iteration1_kcat,kcat,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>CCn1/c(=N/N=C2/Sc3cc(S(=O)(=O)[O-])ccc3[N+]2CC)sc2cc(S(=O)(=O)[O-])ccc21.O,public_strict_iteration1_fulltrue_msa,4.446537167073644,,,s_156ab3956782e3458257c298,test
catpreddb_kcat_kcat_38c3947b9de0df,catpred_iteration1_kcat,kcat,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>O=P(O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.142389466118836,,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_kcat_kcat_38eac5d8744669,catpred_iteration1_kcat,kcat,P58329,P58329,MYHIDVFRIPCHSPGDTSGLEDLIETGRVAPADIVAVMGKTEGNGCVNDYTREYATAMLAACLGRHLQLPPHEVEKRVAFVMSGGTEGVLSPHHTVFARRPAIDAHRPAGKRLTLGIAFTRDFLPEEIGRHAQITETAGAVKRAMRDAGIASIDDLHFVQVKCPLLTPAKIASARSRGCAPVTTDTYESMGYSRGASALGIALATEEVPSSMLVDESVLNDWSLSSSLASASAGIELEHNVVIAIGMSEQATSELVIAHGVMSDAIDAASVRRTIESLGIRSDDEMDRIVNVFAKAEASPDGVVRGMRHTMLSDSDINSTRHARAVTGAAIASVVGHGMVYVSGGAEHQGPAGGGPFAVIARA,O.Oc1nc(O)nc(O)n1,O.Oc1nc(O)nc(O)n1,O.Oc1nc(O)nc(O)n1>>N=C(O)NC(=N)O.O=C=O,public_strict_iteration1_fulltrue_msa,1.863322860120456,,,s_0cdf27313c608da2d2cc71e2,test
catpreddb_kcat_kcat_390e6547a71863,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.934498451243568,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_391fd707483b1a,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(C(=O)[O-])cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(C(=O)[O-])cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(C(=O)[O-])cc1>>N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C(=O)O)cc1)=N2.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.9625735020593764,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_394c7d86ad5bbc,catpred_iteration1_kcat,kcat,P97608,P97608,MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEEGVLLPRGRPLDTSRIASIRMGTTVATNALLERQGERVALLVTRGFRDLLHIGTQARPDLFDLAVPMPEVLYEEVLEVDERVVLYRGEPGAGSPVKGRTGDLLEIQQPVDLEALRGKLEGLLSRGIHSLAVVLMHSYTWAQHEQQVGTLARELGFTHVSLSSEVMPMVRIVPRGHTACADAYLTPTIQRYVQGFRRGFQGQLKNVQVLFMRSDGGLAPMDAFSGSRAVLSGPAGGVVGYSATTYHLEGGQPVIGFDMGGTSTDVSRYAGEFEHVFEASTAGVTLQAPQLDINTVAAGGGSRLFFRSGLFVVGPESAGAHPGPACYRKGGPVTVTDANLVLGRLLPASFPCIFGPGEDQPLSPEASRKALEAVAMEVNSFLTNGPCPASQLSLEEVAMGFVRVANEAMCRPIRALTQARGHDPSAHVLACFGGAGGQHACAIAIPVHLGAMQETVQFQIQHLGADLHPGDVLLSNHPSAGGSHLPDLTVITPVFWPGQTRPVFYVASRGHHADIGGITPGSMPPHSTTLQQEGAVFLSFKLVQGGVFQEEAVTEALRAPGKISGCSGTRNLHDNLSDLRAQVAANQKGIQLVGELIGQYGLDVVQAYMGHIQANAELAVRDMLRAFGTSRQARGLPLEVSAEDHMDDGSPICLRVQINLSQGSAVFDFTGSGSEVFGNLNAPRAITLSALIYCLRCLVGRDIPLNQGCLAPVRVIIPKGSILDPSPEAAVVGGNVLTSQRVVDVILGAFGACSASQGCMNNVTLGNARMGYYETVAGGAGAGPGWHGRSGVHSHMTNTRITDPEILESRYPVILRRFELRPGSGGRGRFRGGDGVVRELVFREEALLSVLTERRAFQPYGLHGGEPGARGLNLLIRKDGRTVNLGGKTSVTVYPGDVFCLHTPGGGGYGDPEDPAPPPGSPPLFPAFPERGSVFEYRRAQEAV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.O=C(O)[C@@H]1CCC(O)=N1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.O=C(O)[C@@H]1CCC(O)=N1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.O=C(O)[C@@H]1CCC(O)=N1>>N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.9318141382538384,,,s_1bc53897037525803578d594,test
catpreddb_kcat_kcat_3966ffe90fc231,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O>>,public_strict_iteration1_fulltrue_msa,2.4771212547196626,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_397e436510ca06,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>NCC(=O)O.Nc1nc(=O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc3)CN21.O,public_strict_iteration1_fulltrue_msa,0.8808135922807914,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_39825141d5dd2e,catpred_iteration1_kcat,kcat,Q9FM01,Q9FM01,MVKICCIGAGYVGGPTMAVIALKCPDIEVAVVDISVPRINAWNSDQLPIYEPGLDDIVKQCRGKNLFFSTDVEKHVREADIVFVSVNTPTKTTGLGAGKAADLTYWESAARMIADVSVSDKIVVEKSTVPVKTAEAIEKILMHNSKGIKFQILSNPEFLAEGTAIADLFNPDRVLIGGRETPEGFKAVQTLKEVYANWVPEGQIITTNLWSAELSKLAANAFLAQRISSVNAMSALCESTGADVTQVSYAVGTDSRIGSKFLNASVGFGGSCFQKDILNLVYICQCNGLPEVAEYWKQVIKINDYQKNRFVNRIVSSMFNTVSNKKVAILGFAFKKDTGDTRETPAIDVCKGLLGDKAQISIYDPQVTEEQIQRDLSMKKFDWDHPLHLQPMSPTTVKQVSVTWDAYEATKDAHAVCVLTEWDEFKSLDYQKIFDNMQKPAFIFDGRNIMNVNKLREIGFIVYSIGKPLDPWLKDMPAFV,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,0.0681858617461616,,,s_cc8f51264cc8738c008b4521,test
catpreddb_kcat_kcat_39886f82f930c6,catpred_iteration1_kcat,kcat,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,N=C(O)CC(=O)C(=O)O.O,N=C(O)CC(=O)C(=O)O.O,N=C(O)CC(=O)C(=O)O.O>>N.O=C(O)CC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.0606978403536116,,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_kcat_kcat_39957307851ef1,catpred_iteration1_kcat,kcat,Q24JL3,Q24JL3,MKRAFSSQLRSAYPASKSTHFGRVMASSGSEAKANYAPISTNEPVVSVDWLHSNLGDADIKVLDASWYMAHEQRNPIQEYQVAHIPGALFFDLNGIADRKTNLRHMLPSEEAFAAGCSALGIENNDGVVVYDGMGLFSAARVWWMFRVFGHDKVWVLDGGLPKWRASGYDVESSVSNDAILKASAATEAIEKIYQGQTISPITFQTKFRPHLVLALDQVKENIEDKTYQHIDARSKARFDGIAPEPWKGLPSGHIPGSKCVPFPLMFDSSQTLLPAEELKKQFEQEDISLDSPIAASCGTGVTACILALGLYRLGKTNVAIYDGSWTEWATAPNLPIVGSSS,C#N.O=C([O-])C(=O)CS,C#N.O=C([O-])C(=O)CS,C#N.O=C([O-])C(=O)CS>>CC(=O)C(=O)O.N#C[S-],public_strict_iteration1_fulltrue_msa,2.2174839442139063,,,s_4444e71530bfb89335d6e15b,test
catpreddb_kcat_kcat_39a0858ecac4c1,catpred_iteration1_kcat,kcat,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_874a36db5b07813dd2a06872,test
catpreddb_kcat_kcat_39a45c956a645d,catpred_iteration1_kcat,kcat,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,CC(=O)OC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O,CC(=O)OC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O,CC(=O)OC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O>>CC(=O)O.N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.4278105726759902,,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_kcat_kcat_39b985707234aa,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCOc1ccc(N)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCOc1ccc(N)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCOc1ccc(N)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCOc1ccc(N=C(C)O)cc1,public_strict_iteration1_fulltrue_msa,-1.4436974992327127,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_39bb3893eae998,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.0604807473813814,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_39e83d633c4be4,catpred_iteration1_kcat,kcat,E2JA31,E2JA31,MSILNNKEVIVIIDAWSGGKHLIPAFQALGYFCLHVQSTFLPEVFIADNQLAIARSDRHIVHDGNIETLLSQLQPYTIKAILAGSEGAVGLADCLNDALELTFSNQFELSAARRNKYLMQEQLALKGVASINQQLAGHSDELKQWLAGHAHWPVVLKPIQSAGTDGVFICHDLAQALQAFEAILAKKDFFGSPNREVLCQEFLAGEEFVVNGIACQGEYFFTELWQSKKQQRNGFPVYETQYLHYQNDAGFDVLTAYTVQVCQTLGINNGAFHAEVMMTSGGPVLIEIGARVAGGADPYIIEECLGHSQISKLAQAVLHPAKFLQECRRQHDFSGHRRAAYVYMISPSPGRVQVSPEEKFIKIDGVISINYHYAPGDIQQETCDLLSSPGVIIAIRDNPALLKQTIAEIRDVEADFYHLGLIDE,CC(C)[C@H](N)C(=O)O.N[C@@H](CN=C(O)[C@@H]1O[C@H]1C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)[C@H](N)C(=O)O.N[C@@H](CN=C(O)[C@@H]1O[C@H]1C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)[C@H](N)C(=O)O.N[C@@H](CN=C(O)[C@@H]1O[C@H]1C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)[C@@H]1O[C@H]1C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.4771212547196624,,,s_dd231b207901506b1bef7a84,test
catpreddb_kcat_kcat_3a11daa0896eb6,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,OCCCl,OCCCl,OCCCl>>C1CO1.Cl,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,-0.0757207139381183,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_3a14fd7794ac67,catpred_iteration1_kcat,kcat,Q9GRG7,Q9GRG7,MQNCRKVADTLRKDSCDIIPDAAAPELKERALTIVVLGASGDLARNKTFPALFQLFCNGLIPRTINIVGYARTKMPDVEQWKKESLAKHFPRAKDRCPHIEAFLKTITYISGSYDGADDFFRLNDVITKFEESFPGKQKGGNRLFYLALPPSVFMHACTGIRTHVMQKPGLGWVRIIIEKPFGHDTESSNELSRQLEPLFEESQIFRIDHYLGKEMVQNIVVTRFANRVFSALWNNNNIACVRITFKESIGTEGRGGYFDKAGIIRDVVQNHLTQILSLLAMEKPRSLSPEDIRDEKVIVLRHVNPVTPADCVLGQYTRSEDGSIPGYLEDPTVPRGSKCATFVVLRLFINNDRWDGVPFIIEAGKAVERRYLGIRIQFKDEIRPFGVAAQRNELIIRAQPSEAMYLRLTAKTPGVLSDTHQTELDLSYEHRYNITLPDAYESLIHEALLGRSTNFVRKDELDAAWRIYTPLLEAIERGETTTYPYSAGSKGPAEAQKFVDDTGFKPLTGDIYQQRKLHHL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[H+],public_strict_iteration1_fulltrue_msa,1.214843848047698,,,s_8fdb1623c0a089b347a05ba5,test
catpreddb_kcat_kcat_3a21c921fdcdd5,catpred_iteration1_kcat,kcat,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](O)[C@@H](CCO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](CCO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](CCO)O2)c(=O)nc1O.O=P(O)(O)O>>C[C@@H](O)[C@H]1OC(OP(=O)(O)O)C[C@@H]1O.Cc1cnc(O)nc1O,public_strict_iteration1_fulltrue_msa,-0.2218487496163563,,,s_3be5357697ef18007ae0960b,test
catpreddb_kcat_kcat_3a2ce42e21986a,catpred_iteration1_kcat,kcat,Q0RVH7,Q0RVH7,MVIKFGYKASAEQFGPRELVELGVLAEAHGMDSATVSDHFQPWRHEGGHAPFSLAWMTAVGERTSRLQLGTSVMTPTFRYNPAVVAQAFATMGCLYPGRIMLGVGTGEALNEIATGFAGEWPEFKERFARLREAVALMRELWLGDRVDFEGNYYKTVGASIYDVPEGGIPVYIAAGGPVVARYAGRSGDGFICTSGKGMELYTEKLMPAVAEGAEKADRDVAEIDKMIEIKISYDTDPELALENTRFWAPLSLTPEQKHSIDDPIEMERAADALPIEQVAKRWIVASDPDEAVAQIRPYLDAGLNHLVFHAPGHDQKRFLELFQRDLAPRLRGLA,C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)nc(O)c-2cc2ccc(O)cc21)C(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)nc(O)c-2cc2ccc(O)cc21)C(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)nc(O)c-2cc2ccc(O)cc21)C(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN1c2cc(O)ccc2Cc2c(O)nc(O)nc21)C(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O.O=C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_a2978e101bff5e0cac5ae56c,test
catpreddb_kcat_kcat_3a32c006fbc91e,catpred_iteration1_kcat,kcat,P11032,P11032,MRNASGPRGPSLATLLFLLLIPEGGCERIIGGDTVVPHSRPYMALLKLSSNTICAGALIEKNWVLTAAHCNVGKRSKFILGAHSINKEPEQQILTVKKAFPYPCYDEYTREGDLQLVRLKKKATVNRNVAILHLPKKGDDVKPGTRCRVAGWGRFGNKSAPSETLREVNITVIDRKICNDEKHYNFHPVIGLNMICAGDLRGGKDSCNGDSGSPLLCDGILRGITSFGGEKCGDRRWPGVYTFLSDKHLNWIKKIMKGSV,N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1.O,N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1.O,N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,1.919078092376074,,,s_2717a1dc500e71829f5ad886,test
catpreddb_kcat_kcat_3a5742ec8fafbf,catpred_iteration1_kcat,kcat,Q9S4M7,Q9S4M7,MAKVYKDLREFLEVLEQEGQLIRVKEEVNPEPDIAAAGRAAANLGKNQPAVFFEKIKGYKYSVVTNVHGSWQNHALMLGLDKNTSTKDQFYELNRRWDKFPVPPNVVKREAAPCKENVIDKDINLFEILPLYRINEQDGGFYISKASVVTADPEYPDDFNKLNVGTYRIQVKDRDRVGIQALAMHDIAVQLEKAEAENKPLPIAITIGNNPLVTFMASTPVGYNQNEYEFVGALQDGVPMDIVKSDLYDHLYVPAGSEVVLEGHIIPRVRTVEGPFGEFPGSYSGARLQCEVKIDRITHRTNPIFENLYLGIPWTEIDYLMALNTSVPLYKQLKETMPEVVAVNAMYTHGIGVIISTKVRYGGYAKGVAFRLLSTPHGMPYSKIVIVVDEFVDPFNLEQVMWALTTRVHPGKDVSIIENCPGMPLDPSTNPPGMHTKMIIDATTPVPPEPNPRETQLLDPPDGTEEWEEKLKELLKNQNR,O=C(O)c1ccc(O)c(O)c1,O=C(O)c1ccc(O)c(O)c1,O=C(O)c1ccc(O)c(O)c1>>O=C=O.Oc1ccccc1O,public_strict_iteration1_fulltrue_msa,1.2624510897304295,0.0791812460476248,,s_b24e83f29df4439ba6a95c20,test
catpreddb_kcat_kcat_3a60b9f2da848c,catpred_iteration1_kcat,kcat,Q3HW12,Q3HW12,IESQVATVWINRAELHNAFNTQVIEELNHCFTTLNANDDVRVVVLASRGKSFSAGADLNWMKQAGQASKVENEEDALKLAKMLQSLATLKQPTIARVHGIAFGGGMGLASACDICVASTDAKFATSEVRLGLAPSTISPYVIRAIGARQASRYFLTAERISAEQAKHIGLVHEVCQPEQLDATVLEIIDAILLGGPEAQAASKSLIRLVDHQEVTEDLLIQTAQHIAHVRQGDEAKNGLTAFLNKQSPAWIQAEQ,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/CC(=O)O>>,public_strict_iteration1_fulltrue_msa,1.255272505103306,-1.3979400086720375,,s_bf45c254801263e51a6f4c04,test
catpreddb_kcat_kcat_3a65bd95569e27,catpred_iteration1_kcat,kcat,B5ARZ9,B5ARZ9,MNLKNLIIYEAFARAYPGEKGKKFLSLEKDLERLKGMGINTVWLMPIHPTGVEGRKGTLGSPYAIRDYYEIDLLIGTKGDFKKFVKRAHELNMYVLMDMVLNHAAVDNVLVKKHPEWFLRDENGNPTRKVPDWSDVVDFDYSNGELREYMINMMRYWVEEFDVDGFRCDVAGLVPLDFWLQARKNLDPVKRLIWISETHDPYMYQAFDITYDYDGYYRFRDFIEGKNSLREYIDFLRMQDHMYPRGYIKMRFLENHDQPRVAKFLSRESLMHWIAFLFTVKGVPLVHNGQEYALKEDLDIFNEYTLPIPGEENEIFSLHRKLAHYRYKTNVFSNGEMIFIRNDQPERVISYLWRHGNRFILCVLNPLLENTSVTLDFSGIWENICIHSKNVFNDDIVRVSVKNSRAKIKVGREPLILSFVLY,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.45178643552429,,,s_c2ee9fcdf9a067adb2bd36a5,test
catpreddb_kcat_kcat_3aa70ef569f6f5,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1COC(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1OCC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.7853298350107671,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_3b05c2c6d78f93,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-1.0,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_3b08363b4d7ae0,catpred_iteration1_kcat,kcat,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,public_strict_iteration1_fulltrue_msa,1.7684160882163318,,,s_172b558c15818a4aa109b980,test
catpreddb_kcat_kcat_3b0f251afdc7a9,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_3b23402e82a0c4,catpred_iteration1_kcat,kcat,A0A345GNZ1,A0A345GNZ1,MSGALSGLSCLVTGASGFVGLRILQMLLEEEERLGEVRAMDKTLSGRLRHTCDRFQSKIQVKLLEGDVRDAEFLDRCCQGVDLVIHTAAVIDTTGHINKETLMSINLHGTERLLESCVQNNVRYFIYTSSMEVVGPNTRGDPIVNGDEEMVYEGKLGFYYGESKRRAEQAVLRANGRELHNGGSLVTCSLRPTYIFGEGSQFLQMHLDQAFQNGGVFKRTSKKEALVNPVYVGNVAWGHILAARAMKDPDSVKKIAGKFYYICDDTPHMSYSDLNHALGKELGLGVEDRLLMPYPLFYFMASMMELVSFLLRPFFRFVPPLTRHLAILLNTTFTFSYKKIQSDMGYKPFYKWEEAKRLTSTWMDTILLQRKEANKKK,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.1938200260161128,,,s_3442d3f3a6685ec90140aefe,test
catpreddb_kcat_kcat_3b2cdfe3e3bdea,catpred_iteration1_kcat,kcat,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,CC(O)=Nc1ccc(/C=N/NC(=N)S)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC(O)=Nc1ccc(/C=N/NC(=N)S)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC(O)=Nc1ccc(/C=N/NC(=N)S)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CC(O)=Nc1ccc(/C=N/NC(=N)SO)cc1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,0.125481265700594,,,s_709e219952fa967255321ee7,test
catpreddb_kcat_kcat_3b32624ad592b6,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O>>CCCC(=O)O.CCCC(=O)OCC(CO)OC(=O)CCC,public_strict_iteration1_fulltrue_msa,3.3521825181113627,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_3b458901f93a03,catpred_iteration1_kcat,kcat,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,N=c1nc(O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1O.O,N=c1nc(O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1O.O,N=c1nc(O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1O.O>>N=c1nc(O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.545307116465824,,,s_205b4fb49279b335382e3627,test
catpreddb_kcat_kcat_3b5ef3e05dc652,catpred_iteration1_kcat,kcat,P37201,P37201,MALDKLDLYVIITLVVAIAAYFAKNQFLDQQQDTGFLNTDSGDGNSRDILQALKKNNKNTLLLFGSQTGTAEDYANKLSRELHSRFGLKTMVADFADYDFENFGDITEDILVFFIVATYGEGEPTDNADEFHTWLTEEADTLSTLKYTVFGLGNSTYEFFNAIGRKFDRLLGEKGGDRFAEYGEGDDGTGTLDEDFLAWKDNVFDSLKNDLNFEEKELKYEPNVKLTERDDLSGNDPDVSLGEPNVKYIKSEGVDLTKGPFDHTHPFLARIVKTKELFTSEDRHCVHVEFDISESNLKYTTGDHLAIWPSNSDENIKQFAKCFGLEDKLDTVIELKALDSTYSIPFPNPITYGAVIRHHLEISGPVSRQFFLSIAGFAPDEETKKSFTRIGGDKQEFASKVTRRKFNIADALLFASNNRPWSDVPFEFLIENVQHLTPRYYSISSSSLSEKQTINVTAVVEAEEEADGRPVTGVVTNLLKNIEIEQNKTGETPMVHYDLNGPRGKFSKFRLPVHVRRSNFKLPKNSTTPVILIGPGTGVAPLRGFVRERVQQVKNGVNVGKTVLFYGCRNSEQDFLYKQEWSEYASVLGENFEMFNAFSRQDPTKKVYVQDKILENSALVDELLSSGAIIYVCGDASRMARDVQAAIAKIVAKSRDIHEDKAAELVKSWKVQNRYQEDVW,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,5.563481085394411,,,s_cce092348796a21776416ec0,test
catpreddb_kcat_kcat_3b7b140bf68d6e,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,O.O,O.O,O.O>>CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O.NC(Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_3ba8f3aa471efb,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.5563025007672873,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_3c1d7d836c23a1,catpred_iteration1_kcat,kcat,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@H]1C(OP(=O)(O)O)O[C@H](CO)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.3222192947339193,,,s_feb69b7c7de35df748b92a04,test
catpreddb_kcat_kcat_3c305db863a67e,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.494850021680094,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_3c3a596299cc88,catpred_iteration1_kcat,kcat,A0A4Y5R9F4,A0A4Y5R9F4,MAPSIFSDEPQHGNTTKPYSHDPSASTPASSQQNGNTPHDQNGSSCVVDKKKGRHAGAGHKSILQSDALYQYVLETSVYPRENPYQRELREITEKHPWNLMTTPPDEGQFLMLLMKLINAKNTMELGVYTGYSLLSTALALPDDGKIIAMDINRENYELGAPVIEKAGLSHKVDFREGLILPQLDEMLLEERNLGFFDFIFVDADKDNYVKYHERLIKLVKVGGVIGYDNTLWNGSLVAPEDAPYPKYICHYRPFVLELNRVLAGDKRIEISQVPIGDGLTLCRRIK,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.3979400086720375,,,s_99bb8b4a9f1f4ed06cb0729c,test
catpreddb_kcat_kcat_3c61a519ff4ad1,catpred_iteration1_kcat,kcat,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,NCC(=O)N1CCC[C@H]1C(=O)O.O,NCC(=O)N1CCC[C@H]1C(=O)O.O,NCC(=O)N1CCC[C@H]1C(=O)O.O>>NCC(=O)O.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_668310886d09794f507cf2a6,test
catpreddb_kcat_kcat_3c6388846cb763,catpred_iteration1_kcat,kcat,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.7839035792727349,,,s_874a36db5b07813dd2a06872,test
catpreddb_kcat_kcat_3c9bc7148e7c34,catpred_iteration1_kcat,kcat,P04968,P04968,MADSQPLSGAPEGAEYLRAVLRAPVYEAAQVTPLQKMEKLSSRLDNVILVKREDRQPVHSFKLRGAYAMMAGLTEEQKAHGVITASAGNHAQGVAFSSARLGVKALIVMPTATADIKVDAVRGFGGEVLLHGANFDEAKAKAIELSQQQGFTWVPPFDHPMVIAGQGTLALELLQQDAHLDRVFVPVGGGGLAAGVAVLIKQLMPQIKVIAVEAEDSACLKAALDAGHPVDLPRVGLFAEGVAVKRIGDETFRLCQEYLDDIITVDSDAICAAMKDLFEDVRAVAEPSGALALAGMKKYIALHNIRGERLAHILSGANVNFHGLRYVSERCELGEQREALLAVTIPEEKGSFLKFCQLLGGRSVTEFNYRFADAKNACIFVGVRLSRGLEERKEILQMLNDGGYSVVDLSDDEMAKLHVRYMVGGRPSHPLQERLYSFEFPESPGALLRFLNTLGTYWNISLFHYRSHGTDYGRVLAAFELGDHEPDFETRLNELGYDCHDETNNPAFRFFLAG,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O>>CCC(=O)C(=O)[O-].N,public_strict_iteration1_fulltrue_msa,3.150449409460881,1.1613680022349748,,s_df64d5d97caae9c5d0427495,test
catpreddb_kcat_kcat_3ca580c760033c,catpred_iteration1_kcat,kcat,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO>>O,public_strict_iteration1_fulltrue_msa,2.815577748324267,,,s_3922a407c453485de3311bb6,test
catpreddb_kcat_kcat_3cac369ad23133,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.4771212547196624,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_3cc6951a6a3b7a,catpred_iteration1_kcat,kcat,P71447,P71447,MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLEKMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSYYTLEFLKEVWLQKQK,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.2329961103921538,-1.8356471442155624,,s_a76484e5b19a83bd01990ff4,test
catpreddb_kcat_kcat_3ccfde7e453312,catpred_iteration1_kcat,kcat,A0A5H2WXM2,A0A5H2WXM2,MGSLSLSSVGLTMVCAPVMGESVDQVVEEMHKAKAQGADVVEVRLDCIKQFQAHQDLEIILKSKPLPVIIVYRPKCEGGLYEGDETARLEALRSALKLGADYVDFELKVAAELMSKQNKLHCGGTKVIVSCFLDGVTPSKEELSNLATHMKATGADIIKIVTSASNITELAGLFHLLSYSQMPVVAYAVGERGLISQLLSPKFGSTLVYGSIEGMAVPGLPTLESLRKTYKVEHINSDTTVFGLISKPVGHSKGPILHNPTLRHMNFNGLYVPMFVDNLKEFFEVYSTPDFAGFSVGFPYKEAVIQFCDEVHPLAQTIGAVNTIVRRPSDGKLIGYNTDCEASVTAMEDALQECRCINGEKSLVSPLAGKEFVLVGAGGAGRALAFGAKTRGARIIIFDIDFERAKMLAHAVSGEARPFGDLPYFQPEKGSILANATPIGMHPNKDRIPVSEASLGVFQLVFDAVYTPRKTTLLKEAEAAGAITVSGVEMFLRQAIGQFNLFTGGEAPKEFMREIVLAKF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,public_strict_iteration1_fulltrue_msa,2.44870631990508,,,s_96f343a16d414342eb00f6c5,test
catpreddb_kcat_kcat_3cd965fe01b747,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NC(CSSCC(N)C(=O)O)C(=O)O.O,NC(CSSCC(N)C(=O)O)C(=O)O.O,NC(CSSCC(N)C(=O)O)C(=O)O.O>>CC(=O)C(=O)O.N.NC(CSS)C(=O)O,public_strict_iteration1_fulltrue_msa,1.5563025007672873,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_3d328ec0fb5a86,catpred_iteration1_kcat,kcat,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O>>N=C(N)NCCC[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.7558748556724917,,,s_2caefa44f3749bcdb7479c26,test
catpreddb_kcat_kcat_3d3753a1ee1654,catpred_iteration1_kcat,kcat,P27306,P27306,MPHSYDYDAIVIGSGPGGEGAAMGLVKQGARVAVIERYQNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDHSRLLRSSFADILNHADNVINQQTRMRQGFYERNHCEILQGNARFVDEHTLALDCPDGSVETLTAEKFVIACGSRPYHPTDVDFTHPRIYDSDSILSMHHEPRHVLIYGAGVIGCEYASIFRGMDVKVDLINTRDRLLAFLDQEMSDSLSYHFWNSGVVIRHNEEYEKIEGCDDGVIMHLKSGKKLKADCLLYANGRTGNTDSLALQNIGLETDSRGQLKVNSMYQTAQPHVYAVGDVIGYPSLASAAYDQGRIAAQALVKGEATAHLIEDIPTGIYTIPEISSVGKTEQQLTAMKVPYEVGRAQFKHLARAQIVGMNVGTLKILFHRETKEILGIHCFGERAAEIIHIGQAIMEQKGGGNTIEYFVNTTFNYPTMAEAYRVAALNGLNRLF,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.225050696138049,,,s_7070fe747b7f5a0a85ee64cc,test
catpreddb_kcat_kcat_3d4aed6cf58c4c,catpred_iteration1_kcat,kcat,Q57991,Q57991,MTTVMKFGGTSVGSGERIRHVAKIVTKRKKEDDDVVVVVSAMSEVTNALVEISQQALDVRDIAKVGDFIKFIREKHYKAIEEAIKSEEIKEEVKKIIDSRIEELEKVLIGVAYLGELTPKSRDYILSFGERLSSPILSGAIRDLGEKSIALEGGEAGIITDNNFGSARVKRLEVKERLLPLLKEGIIPVVTGFIGTTEEGYITTLGRGGSDYSAALIGYGLDADIIEIWTDVSGVYTTDPRLVPTARRIPKLSYIEAMELAYFGAKVLHPRTIEPAMEKGIPILVKNTFEPESEGTLITNDMEMSDSIVKAISTIKNVALINIFGAGMVGVSGTAARIFKALGEEEVNVILISQGSSETNISLVVSEEDVDKALKALKREFGDFGKKSFLNNNLIRDVSVDKDVCVISVVGAGMRGAKGIAGKIFTAVSESGANIKMIAQGSSEVNISFVIDEKDLLNCVRKLHEKFIEKTNS,N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CC(=O)OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.3891660843645326,,,s_b7a9f694c9ed6daa34ac4e5f,test
catpreddb_kcat_kcat_3d5b21781bf0e3,catpred_iteration1_kcat,kcat,U5KGX4,U5KGX4,ASGNPAAGKPWHWKSPKPLVDPRIHVNATPRIVGGVEATPHSWPHQAALFIDDMYFCGGSLISSEWVLTAAHCMDGAGFVEVVLGAHNIRQNEASQVSIISTNFFTHENWNSWLLTNDIALIKLPSPVSLNSNIKTVRLPSSDVSVGTTVTPTGWGRPSDSASGISDVLRQVNVPIMTNADCDSVYGIVGDGVVCIDGAGGKSTCNGDSGGPLNLNGMTYGITSFGSSAGCEVGYPAAFTRVHYYLDWIKQKTGVTP,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.3324384599156054,,,s_78e2e88530c02d81627ea520,test
catpreddb_kcat_kcat_3d5ee2f3147df7,catpred_iteration1_kcat,kcat,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,NCC(=O)Nc1ccc([N+](=O)[O-])cc1.O,NCC(=O)Nc1ccc([N+](=O)[O-])cc1.O,NCC(=O)Nc1ccc([N+](=O)[O-])cc1.O>>NCC(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.845098040014257,,,s_0c3e58e911f51068e88986ab,test
catpreddb_kcat_kcat_3d9bc3116f3708,catpred_iteration1_kcat,kcat,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC[C@@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,-3.6989700043360174,,,s_0424465e822fd7a94a631a04,test
catpreddb_kcat_kcat_3db82b8ad3ddd1,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](O)c3ccccc3)[C@H]2SC1.O,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](O)c3ccccc3)[C@H]2SC1.O,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](O)c3ccccc3)[C@H]2SC1.O>>,public_strict_iteration1_fulltrue_msa,3.785685668280901,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_3dd8e54de6ed1a,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-2.356547323513813,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_3df06dfd764be9,catpred_iteration1_kcat,kcat,P0A9C3,P0A9C3,MLNETPALAPDGQPYRLLTLRNNAGMVVTLMDWGATLLSARIPLSDGSVREALLGCASPECYQDQAAFLGASIGRYANRIANSRYTFDGETVTLSPSQGVNQLHGGPEGFDKRRWQIVNQNDRQVLFALSSDDGDQGFPGNLGATVQYRLTDDNRISITYRATVDKPCPVNMTNHVYFNLDGEQSDVRNHKLQILADEYLPVDEGGIPHDGLKSVAGTSFDFRSAKIIASEFLADDDQRKVKGYDHAFLLQAKGDGKKVAAHVWSADEKLQLKVYTTAPALQFYSGNFLGGTPSRGTEPYADWQGLALESEFLPDSPNHPEWPQPDCFLRPGEEYSSLTEYQFIAE,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,4.264817823009537,0.6020599913279624,,s_433175aa591455b5ec2cbfbd,test
catpreddb_kcat_kcat_3df2a3bff7b3c2,catpred_iteration1_kcat,kcat,A0A228BX09,A0A228BX09,MPPPPEVSPVTGNPVSPHYIHSSTLHFQDVNGRSLVLRGVNLSGSAKHPNNQPSHIREGFWETAEAGKGDFINKPLNLDDGSADLHLARLKAWGYNLLRYVFTWESLEHAGPKEYDYAYMDYIIAVLRKCKEWGFRVFMDPHQDVWSRFTGGSGAPLWTLYACGIDPYHLTATAAAYLHCEWPSAESPKPQDFPAMIWGTNYTHLANQTIWTFFFAGKTYAPKCIIDGKNIQDFLQDHFIDAVGELAKRIAEEAGDLLDECVIGWDSINEPGEGLIGCKDLAVIPAEQQLKKGPSPTPIEGMRLGMGEAQDVQAWNFGPMGPYRGSRQTIDPKGVKLWLSKEDDVKRGSGKWGWTRGKEWALGTCIWAHHGVWEIATSTLLRPDYFSTLPTNPGHQVDFVDDFWALHWLAYSSRIRLHHPESIHFIQAPVLRQPPKLPESFLKGRACSSPHFYDGLTLMTKHWNWFNADAIGVIRKKYWSIVQAVRIGEGPIRKMIQGELAVLKQDTIDILGNYPTLVGEIGIPYDMDDKKAYGYVDGGRGEGDYSSQQKAMDCSMNACDGPNCLNYAIWNYVPDNVHEWGDNWNGEDLSLWSVDDKEQESYHDSPRSDTPNFSTNSNSLTNSSATLTVPMSGASKLRPSPSVIDSGDFSPTLILDGSRAVAAFCRPYPVATVGIPERIDFDITSTKFKYAVRVRADDIANEQVYTEIYLPFVHYAASLNASRSAGHNPNLGQTTSTSADGDDSTVSSRQTSKVDLIEDERAIKSSDPSSVSIRSVPYSSFAQLSLDVTIVASHGRVEIQGQTLRWWYPVPGTGEEVYTIEVQRNGGALRRDLGYVQQGNFLDVCPECVIA,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.1398790864012365,,,s_d2a6244868eea8688e269a0b,test
catpreddb_kcat_kcat_3e23e5e9e55301,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(C)(C)C1=CC(=O)C2OC2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.5634810853944106,-1.3979400086720375,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_3e608e6041ac1c,catpred_iteration1_kcat,kcat,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccccc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.585026652029182,,,s_b7052409576ea9e57f9adba3,test
catpreddb_kcat_kcat_3e8827673ef89e,catpred_iteration1_kcat,kcat,Q70WQ8,Q70WQ8,MGLILWLEEITKKDHALVGGKGANLGEVSRLVRVPPGFVVTTEAFRAFLETTGLKSKISEVLKSVRGGSPEDYEKASETIREMIYREPMPREIADEIVRAYLKLSEKVGVKDVSVAVRSSATAEDIQEASFAGQQDTYLNVRGSENVIEHVKRVWASLYTARAIYYREQMGISHDNVSIAVVVQKLVNARSAGVMFTLDPTNGDTSKVVIEAAWGLGEGVVRGIVTPDEYVVDKNTLKIVERRISQKRLAVVRDERGLTKEVELPPEKSGAPALTDEEVIEYAKMALELERHYGHPLDIEFSVDSDVPFPQNLYVVQVRPETVWSRRAQPAEAKEAKAEGRVVVKGIAASPGVAVGRAKICLTLEDAKRKLQKGDILVTKMTDPDWVPYMRLASAIVTDEGGRTSHAAIVSRELGIPAVVGTGNATQVLRDGELYTVDGSKGVVLEGAAVQPQAKVAEAAQAAIAVPKEIILHIYRSIPTGTKVYMNLGEPDKIDEYKDLPFEGIGLMRIEFVITSWIGEHPLYLMSIGREDKFVDKMAEGVARVASAIYPRPVVVRFSDFKTNEYRSLQGGEKFEPEERNPMLGWRGVSRYVSLQYEKAFRLELRAIKKVREEMGLTNVWVMAPFVRTTWEAERFNRLLEEEGLVRDRDFKVWAMAEVPSVAFLVEEFAPYFDGFSIGSNDLTQLTLGVDRDNDFLVRINPKYFDEREMPVLKAIYELIQRAHRVGKTVSICGQGPSVYPQLVEFLVRAGIDSISVNPDAVLNTRILVASVEMKLLRERLDAIYRALYKVGDDEEFREIIKKVFGGLKY,CC(=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,CC(=O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.1655792963184674,,,s_410014a7bc89fe2e3625d9a2,test
catpreddb_kcat_kcat_3e9a0c4c6915d3,catpred_iteration1_kcat,kcat,P97852,P97852,MASPLRFDGRVVLVTGAGGGLGRAYALAFAERGALVVVNDLGGDFKGVGKGSSAADKVVEEIRRRGGKAVANYDSVEAGEKLVKTALDTFGRIDVVVNNAGILRDRSFSRISDEDWDIIQRVHLRGSFQVTRAAWDHMKKQNYGRIIMTASASGIYGNFGQANYSAAKLGLLGLANTLVIEGRKNNIHCNTIAPNAGSRMTETVMPEDLVEALKPEYVAPLVLWLCHESCEENGGLFEVGAGWIGKLRWERTLGAIVRKRNQPMTPEAVRDNWVKICDFSNASKPKSIQESTGGIIEVLHKIDSEGISQNHTGQVASADASGFAGVVGHKLPSFSSSYTELQCIMYALGVGASVKNPKDLKFVYEGSADFSCLPTFGVIVAQKSLMSGGLAEVPGLSINFAKVLHGEQYLELYKPLPRSGELKCEAVIADILDKGSGIVIVMDVYSYSGKELICYNQFSVFVVGSGGFGGKRTSEKLKAAVAVPSRPPDAVLRDTTSLNQAALYRLSGDSNPLHIDPSFASIAGFEKPILHGLCTFGFSARHVLQQFADNDVSRFKAIKVRFAKPVYPGQTLQTEMWKEGNRIHFQTKVQETGDIVISNAYVDLVPTSGVSAQTPSEGGALQSALVFGEIGRRLKDVGREVVKKVNAVFEWHITKNGNVAAKWTIDLKNGSGEVYQGPAKGSADTTITISDEDFMEVVLGKLNPQNAFFSGRLKARGNIMLSQKLQMILKDYAKL,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CCC[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.3579348470004535,,,s_9becf2a8fe0eaa406b93aa54,test
catpreddb_kcat_kcat_3ea650b928ea30,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCC=CCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_3eac68cd601ff9,catpred_iteration1_kcat,kcat,A0A0S4FKT4,A0A0S4FKT4,VIGGDECNINEHNFLVALYEYWSQSFLCGGTLINGEWVLTAAHCDRKHILIYVGVHDRSVQFDKEQRRFPKEKYFFNCRNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRVMGWGTIKSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATIRILCAGVLEGGIDTCHRDSGGPLICNGEFQGIVSWGDGSCAQPDKPALYSKVFDHLDWIQNIIAGSETVNCPS,COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.O,COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.O,COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1.O>>CO.Cc1ccc(S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)O)cc1,public_strict_iteration1_fulltrue_msa,4.398495550138137,,,s_22e3a138b8ec84d349adba04,test
catpreddb_kcat_kcat_3ebdb3faa7d5c3,catpred_iteration1_kcat,kcat,A0A144KBQ0,A0A144KBQ0,WLNDPNGLVYYAGEYHLFYQYHPYGLQWGPMHWGHAVSKDLVTWEHLPVALYPDEKGTIFSGSAVVDKNNTSGFQTGKEKPLVAIYTQDREGHQVQSIAYSNDKGRTWTKYAGNPVIPNPGKKDFRDPKVFWYEKEKKWVMVLAAGDRILIYTSKNLKQWTYASEFGQDQGSHDGEWECP,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.216429830876251,,,s_bf770e8586b37ea66097b860,test
catpreddb_kcat_kcat_3ee26589abd578,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)C[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)C[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)C[C@H](O)[C@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@@H](O)[C@@H](O)CC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_3f058459480db1,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,O.O=O,O.O=O,O.O=O>>C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O.O,public_strict_iteration1_fulltrue_msa,-1.6326440789739811,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_3f4e18941abdb7,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC1OC(O)C(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1OC(C(O)CO)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,4.853698211776174,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_3f4fb9c337d52a,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],public_strict_iteration1_fulltrue_msa,2.397940008672037,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_3f57846edcc427,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,CC(C)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,0.3617278360175928,1.2041199826559248,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_3f748826da999f,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,-0.8239087409443188,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_3f93889752d9e1,catpred_iteration1_kcat,kcat,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,O=O.OC/C=C/c1ccccc1,O=O.OC/C=C/c1ccccc1,O=O.OC/C=C/c1ccccc1>>O=C/C=C/c1ccccc1.OO,public_strict_iteration1_fulltrue_msa,-2.161150909262745,,,s_f2bb212131b83045ca25164e,test
catpreddb_kcat_kcat_3fc0b60481fe32,catpred_iteration1_kcat,kcat,P60472,P60472,MMLSATQPLSEKLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRERRFGGTEPGDETA,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.2966651902615311,,,s_6db7608dd527a3a642114dbe,test
catpreddb_kcat_kcat_3fd40d9308e8d3,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.5670263661590603,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_3fe60454ed6bc4,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=C(O)C(=O)c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=C(O)C(=O)c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=C(O)C(=O)c2ccccc21.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C1C=C(O)C(=O)c2ccccc21,public_strict_iteration1_fulltrue_msa,-0.5376020021010439,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_3ff388200536d2,catpred_iteration1_kcat,kcat,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O>>,public_strict_iteration1_fulltrue_msa,1.0934216851622351,,,s_27531fb3688217415c49ec38,test
catpreddb_kcat_kcat_4004df2417d3a0,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O>>,public_strict_iteration1_fulltrue_msa,2.7323937598229686,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_401f1dc81f19d1,catpred_iteration1_kcat,kcat,Q81P63,Q81P63,MKIKKESLEMRQMRKKVVLIGTGLIGGSLALAIKKDHDVTITGYDIFQEQVERAKELHVVDEIAVDLQHACEEAHLIVFASPVEETKKLLHKLASFHLREDVIVTDVGSTKGSIMNEAEALFSKEISFIGGHPMAGSHKTGVESAKAHLFENAFYILTPMHHVPNEHVEELKDWLKGTGSHFLVLNTEEHDYVTGIVSHFPHLIAAGLVKQVEKHAGDNPLIHQLAAGGFKDITRIASSSPKMWSDIVKQNREHLMVLLKEWISEMEDLYDTVSSGDAGEIQNYFADAKEYRDSLPVRKRGAIPAYHDLYVDVLDKVGALAHVTSILAREEISITNLQILEAREGLLGVLRISFQREEDRMKAKLALGEEKYQTYETI,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,1.6901960800285136,,,s_c80e98cfb506d47134818ce5,test
catpreddb_kcat_kcat_407ccea03dde48,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCc1cnc[nH]1.O.O=O,NCCc1cnc[nH]1.O.O=O,NCCc1cnc[nH]1.O.O=O>>N.O=CCc1cnc[nH]1.OO,public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_408972e23d39ae,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12.O,Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12.O,Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12.O>>Cc1cc(=O)oc2cc(O)ccc12.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.0827853703164503,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_409a77ffd47089,catpred_iteration1_kcat,kcat,B2Z9Y3,B2Z9Y3,MGNYLSISFFLLLCGITTAESQLFNSYLTLPSSCPAPDPALNYRPIIGIVSHPGDGATGRLSNATNVSYIAASYVKFAEMAGARVIPLIYTEPPQVLNQKLNLVNGIIFTGGWAKDGLYFDVIKGIFQKVLEKNDAGEHFPLLAICLGYELLTMIITNDNNILEEFSAASQASTVQFVENVNIEGTIFGRFPPVLLKKMSIDCLVMQNHHFGISPERFQVNKDLSSFFRVLTTSTDENNKVYVSTIQAQRYPIAAFQWHPEKNAFEWGSSRIPHSEDAIQVTTHVANYFISEARKSSNKPVAREVLDSLIYNNNPTYGGKAGKGYDEVYLFIPHSSSSSM,N=c1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1.O,N=c1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1.O,N=c1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1.O>>,public_strict_iteration1_fulltrue_msa,0.2278867046136735,,,s_545eb204b224429b52bfc5e8,test
catpreddb_kcat_kcat_40a6dfd8955fca,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.2695129442179165,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_40b21dc98bbb90,catpred_iteration1_kcat,kcat,Q9SC14,Q9SC14,MEESMKQASVMENLRSVVFKESESLEGTCAKIRGYDFNNGIDYSQILKSMVSTGFQASNLGDAIETVNQMLDWRLSHEQVTEDCSQEEKNPTYRESIKCKIFLGFTSNLISSGVRDIIRYLVQHHMVDVIVTTTGGIEEDLIKCLADTFKGEFSLPGAELRSKGLNRIGNLLVPNDNYCKFEDWIIPIFDQMLEEQKAKNVLWTPSKLIMRLGKEINNESSYLYWAYKNDIPVFCPGLTDGSLGDMLYFHTFRNPGLIVDVVQDIRAINSEAVHANPRKTGMIILGGGLPKHHICNANMMRNGADYAVFINTAQEFDGSDSGARPDEAVSWGKIRGSAKSVKVHCDATIAFPLLVAETFAAKREQSAEPSS,NCCCCN.NCCCCNCCCN,NCCCCN.NCCCCNCCCN,NCCCCN.NCCCCNCCCN>>NCCCCNCCCCN.NCCCN,public_strict_iteration1_fulltrue_msa,-1.494850021680094,,,s_7475cd261f8d4e44a637ab04,test
catpreddb_kcat_kcat_40b457994d93e3,catpred_iteration1_kcat,kcat,P22256,P22256,MNSNKELMQRRSQAIPRGVGQIHPIFADRAENCRVWDVEGREYLDFAGGIAVLNTGHLHPKVVAAVEAQLKKLSHTCFQVLAYEPYLELCEIMNQKVPGDFAKKTLLVTTGSEAVENAVKIARAATKRSGTIAFSGAYHGRTHYTLALTGKVNPYSAGMGLMPGHVYRALYPCPLHGISEDDAIASIHRIFKNDAAPEDIAAIVIEPVQGEGGFYASSPAFMQRLRALCDEHGIMLIADEVQSGAGRTGTLFAMEQMGVAPDLTTFAKSIAGGFPLAGVTGRAEVMDAVAPGGLGGTYAGNPIACVAALEVLKVFEQENLLQKANDLGQKLKDGLLAIAEKHPEIGDVRGLGAMIAIELFEDGDHNKPDAKLTAEIVARARDKGLILLSCGPYYNVLRILVPLTIEDAQIRQGLEIISQCFDEAKQ,NCCCC(=O)O.O=C(O)CCC(=O)C(=O)O,NCCCC(=O)O.O=C(O)CCC(=O)C(=O)O,NCCCC(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=CCCC(=O)O,public_strict_iteration1_fulltrue_msa,1.675778341674085,,,s_c32f0b4849ddded75e72f613,test
catpreddb_kcat_kcat_40b9c982b52d57,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.4800069429571506,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_40cfd2424b6957,catpred_iteration1_kcat,kcat,F9FRH4,F9FRH4,MVALLIFLGIFTCVETLPLSDSPSSYIPEEVPSSQTADIGLPPPTEFTLPNEDDEILIRKLNIQKTRKEILYGPSLIGKTSFFISGPLGDQISQRDQTLWSRDAAPVVQAVSHDAAAALHDIQIHGGLQNLDDYKILYQGHWSSSVPGGIAKGQFSNFTSDLLFSMERLSTNPYILRRLHPHADELPFAVDSKIVQKLTGSTLPSLHKAGRLFLADHSYQKDYVAQEGRYAAACQALFYLDDRCHQFLPLAIKTNVGSNLTYTPLDEPNDWLLAKVMFNVNDLFHGQMYHLASTHAVAEIVHLAALRTMSSRHPVLALLQRLMYQAYAIRPIGNNILFNPGGLIDQNSVFSNVAVRKFATDFYPTVAGPVRSNYFEANLRSRGLLNATHGPDLPHFPFYEDGARIIKVIRTFIQSFVKSIYKSDKVLAKDWELQAWIAEANGAAEVIDFPPTPLKKRKHLVDILTHMAWLTGVSHHVLNQGEPVTTSGVLPLHPGSLYAPVPGEKGVVDSLLPWLPNEQKSVDQISFLALFNRPQIVENNRTLRYMFNSESLLAGTVRAVAAANERFMEEMGHISQEISNRKFDDDGLSQGMPFIWTGMDPGVIPFYLSV,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)[O-].O=O,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)[O-].O=O,CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)[O-].O=O>>,public_strict_iteration1_fulltrue_msa,1.5843312243675307,,,s_0442306892007a90f6d96c43,test
catpreddb_kcat_kcat_40db1adc2a56ce,catpred_iteration1_kcat,kcat,I3VXT6,I3VXT6,MEKIVHEMNKELKDRIFPFWSKLKDEENGGFYGYVDYDLNIDNKALKGSILNSRILWFFSAFYCLDKEKKALELAHHAYKFLRDNILDKENKGLYWMVDYKGEPVDTRKHTYSQAFGIYGLAQYYKATGNEEALNIAIDLFNTIERNCRDENGYLEEFDRNWNLKENYELSEHGVISSRTMNTHLHILEAYTLLYDVWKNSNLKKSIIYLLNLFKDKIYSEDGKYLKVFFDDNWNTTIDIKSYGHDIEASWLLDKAVDVLCDEEIKNTTKKYTMEIAENILNNVYSPDGMVNETVEGRTDLSRVWWVQAESVVGFFNAYQKTNDVRFIEASKNIWEYIKRYAIDKRDGGEWYWKVDENGKPFEMPIVEPWKCPYHNGRMCIEIIERVKNSEV,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.0017337128090005,2.382197210377454,,s_9656c76b9472724c0dff1055,test
catpreddb_kcat_kcat_40f7e2dce288f6,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,O=C(O)C=CC=C(Cl)C(=O)O,O=C(O)C=CC=C(Cl)C(=O)O,O=C(O)C=CC=C(Cl)C(=O)O>>O=C1OCC=CC=C1Cl,public_strict_iteration1_fulltrue_msa,3.008600171761917,-0.5376020021010439,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_410344727b6500,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1C=Cc2ccccc2C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1C=Cc2ccccc2C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1C=Cc2ccccc2C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Oc1ccc2ccccc2c1O.[H],public_strict_iteration1_fulltrue_msa,2.510545010206612,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_410476c59aab5b,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1Cc2cccc3cccc1c23,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1Cc2cccc3cccc1c23,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1Cc2cccc3cccc1c23>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1Cc2cccc3cccc1c23.[H+],public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_410c4d377b2569,catpred_iteration1_kcat,kcat,A0A090IMH4,A0A090IMH4,MTEQYITIDGRKIGPNFSPYIIAELSANHNGDINRAFAIMEAAKKAGADAIKLQTYTQDTITMDCDSDEFQIKGGLWHGQSLYQLYTSAHMPWEWHQPLFAKAKELDITIFSSPFDFTAVDLLEELDAPAYKIASFEIVDLPLIKRVAQTGKPMIISTGMADQSEIEIAIQTAKDNGCDELVVLHCVSGYPAPAAQYNLRTIADIGQRFDVLAGLSDHTIDNATAVVSVAFGACVIEKHVTLDRNAGGADDSFSLEPDELARLCRDTYTAWQAMGNVNYERTPAEQGNVKFRRSLYAVKDIAAGELLTADNVRSIRPGFGLEPKYYDQVLGKKANVIISKGTALSFGLIS,C=C(OP(=O)(O)O)C(=O)O.CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O,C=C(OP(=O)(O)O)C(=O)O.CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O,C=C(OP(=O)(O)O)C(=O)O.CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O>>CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.5740312677277188,,,s_8f28e5943280c5a5988fa0ca,test
catpreddb_kcat_kcat_411a1e25446d79,catpred_iteration1_kcat,kcat,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,3.0791812460476247,,,s_1f9dafe578e10e0347c193ca,test
catpreddb_kcat_kcat_411ea7f08a5c03,catpred_iteration1_kcat,kcat,Q8L0V2,Q8L0V2,MNILVTGGAGYIGSHTSLCLLNKGYNVVIIDNLINSSCESIRRIELIAKKKVTFYELNINNEKEVNQILKKHKFDCIMHFAGAKSVAESLIKPIFYYDNNVSGTLQLINCAIKNDVANFIFSSSATVYGESKIMPVTEDCHIGGTLNPYGTSKYISELMIRDIAKKYSDTNFLCLRYFNPTGAHESGMIGESPADIPSNLVPYILQVAMGKLEKLMVFGGDYPTKDGTGVRDYIHVMDLAEGHVAALSYLFRDNNTNYHVFNLGTGKGYSVLELVSTFEKISGVRIPYEIVSRRDGDIAESWSSPEKANKYLNWKAKRELETMLEDAWRWQMKNPNGYI,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.6384892569546374,0.3180633349627615,,s_3cb5e40ba687ab85324cd07f,test
catpreddb_kcat_kcat_4157f428872c7f,catpred_iteration1_kcat,kcat,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccnc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccnc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccnc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCc1cccnc1,public_strict_iteration1_fulltrue_msa,1.0856472882968566,,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_kcat_kcat_417766785cabb4,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H],public_strict_iteration1_fulltrue_msa,1.740362689494244,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_41aa3e6ff7abbb,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,CCC=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCC=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCC=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>CCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,-0.2365720064370627,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_41e2f9827428f5,catpred_iteration1_kcat,kcat,Q9XFX4,Q9XFX4,MGTPIKASLLALFLFFLLSPTAFSVSNGGLLRVGLKKRKVDRLDQLRAHGVHMLGNARKDFGFRRTLSDSGSGIVALTNDRDTAYYGEIGIGTPPQNFAVIFDTGSSDLWVPSTKCDTSLACVIHPRYDSGDSSTYKGNGTTASIQYGTGAIVGFYSQDSVEVGDLVVEHQDFIETTEEDDTVFLKSEFDGILGLGFQEISAGKAVPVWYNMVNQGLVEEAVFSFWLNRNVDEEEGGELVFGGVDPNHFRGNHTYVPVTRKGYWQFEMGDVLIGDKSSGFCAGGCAAIADSGTSFFAGPTAIITQINQAIGAKGVLNQQCKTLVGQYGKNMIQMLTSEVQPDKICSHMKLCTFDGAHDVRSMIESVVDKNNDKSSGGEICTFCEMALVRMQNEIKRNETEDNIINHVNEVCDQLPTSSAESIVDCNGISSMPNIAFTIGSKLFEVTPEQYIYKVGEGEAATCISGFTALDIMSPQGPIWILGDMFMGPYHTVFDYGKLRVGFAEAV,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.9513375187959177,,,s_494edfccab5df5c67645574b,test
catpreddb_kcat_kcat_41e6b46f31decf,catpred_iteration1_kcat,kcat,P80025,P80025,MWVCLQLPVFLASVTLFEVAASDTIAQAASTTTISDAVSKVKIQVNKAFLDSRTRLKTTLSSEAPTTQQLSEYFKHAKGRTRTAIRNGQVWEESLKRLRRDTTLTNVTDPSLDLTALSWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O.O=NO.OO,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O.O=NO.OO,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O.O=NO.OO>>O,public_strict_iteration1_fulltrue_msa,1.1613680022349748,,,s_075dddbe447157c6c5ffbc4d,test
catpreddb_kcat_kcat_41fa52a61635a7,catpred_iteration1_kcat,kcat,H3ZMH5,H3ZMH5,MFADHVFHVVDTHTEGEPTRIVLSGVNVKGEDIIEKREYFKEHYDWIRTALLHEPRGHSDQFGAVLVPSDIADFGVIYMDTSGYLDMCGHATMGVATVLVELGIIEKKEPYTTVKLETPAGLVEAKAKVKGGVVKEVTVVDVPSFYVGEFVIEYPGRGKIKVDVAFGGNFYVIADARDLGLRVRREYIKELIPTALKLIKVANEQIKVQHPRKGVQNRINLAMLTDEPEREDSDGKNVVIWGEGSVDRSPCGTGSASRVATLYSKGILKEGDIFVHESILGTQFRIKIVGTTKIGEYTAIIPEITGSAYITKISQDIISKNDPLWKGFLLR,O=C(O)[C@H]1CCCN1,O=C(O)[C@H]1CCCN1,O=C(O)[C@H]1CCCN1>>O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.3463529744506387,-1.0362121726544449,,s_439f7553837807af96852cc3,test
catpreddb_kcat_kcat_4260cda31688b4,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)/C=C/C1=C(C)CCCC1(C)C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.5528419686577808,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_42bc95418173e8,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O>>O=Cc1cccc(Oc2ccccc2)c1.[C-]#N,public_strict_iteration1_fulltrue_msa,-0.1023729087095585,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_42cec4d73d4dfe,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,3.707570176097936,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_4304b6d2b433e8,catpred_iteration1_kcat,kcat,B9U6P5,B9U6P5,MYDLTSAQLDLQARARELAQTKFAPTAAQTDQTEEYPWKNVELLRDAGFMGMTLPKSIGGQGLSYLDAVIVVEEMAKACATMGRITVEANMGAIGAIAKYGTPEQLKIAADLVLAGDKPAICISEPNAGSAASEMTTRADRQGDHYIINGEKYWITGGGVSKVHLIFARVLEDGVDQGIGGFICVRDGENSPAGLVIGRRLYAMGVRGIPETHIEFHDLKVHKSMLVVPPGGLKRGFASLMTAYNAQRVGAGTVALGIAQGAFEEGLERLKTRHQFGRPIAEFQGLQWMAADMSTQLEAARLLLRHAAASGEEFPDIDKAARAKIFAAETANKVTNDALQFWGSSGYGRENPMERHVRDARMFTIAGGTAQILRTQVAGKLLGMKLPQTRDGFAKVAAR,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCS(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCS(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCS(=O)O.O>>CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=S([O-])[O-],public_strict_iteration1_fulltrue_msa,0.3979400086720376,,,s_52f61e3f4975b027a01e8535,test
catpreddb_kcat_kcat_432c90434f899f,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C.O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_4332bc68131ec5,catpred_iteration1_kcat,kcat,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C.O=O.[H+],C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C.O=O.[H+],C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C.O=O.[H+]>>C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(O)CC[C@]12C.O,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_kcat_kcat_433746a90e3cc1,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CCC(C)[C@H](N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_4353cc8fab07cd,catpred_iteration1_kcat,kcat,Q0BRB0,Q0BRB0,MTLSMTLEGIQAFLAQGGTIEQVVTEAYDRITRYGDKAVWIALRPREEVLAEARALDASPATGKPLYGVPFAVKDNIDVAGLPCSAACPAFTYEPDRDATVVARLRAAGAIVLGKTNLDQFATGLVGTRSPFGAPRCVFDQDYISGGSSSGSAVAVAAGLVAFSLGTDTAGSGRVPAAFNNLVGVKPTKGLLSTSGVVPACRSLDCVTVFAASVAEGTLIRRIAEGYDAADPYSRPSQKRRLPHVGLRVGVPRQDQREFYGNTAYAALYQRALDEMISLDAELVEIDFAPFRDAAKLLYGGPWVAERLEAVGDHLSRAPDSFDPVVRSIVETAKTLSAVDAFRGQYELAALTQQANAQWARMDILLLPTAPTIHKVEAVMADPVRLNSQLGHYTNFVNLLDCAAIAVPAGFIETGLPFGVTLVGPAFSDDSMALIADRLHRRLEPGYGQDRASLPDPVLEETNPEQIALAVVGAHLSGQPLHWQLTERNATLVARTRTAPEYRLYALAETIPPKPGLVADPDFTGDGIEIELWSMDAEAFGTFTALVPAPLAIGTLRLADGTSVKGFVCEPAGLVGAQDITRFGGWRAYLAQ,N=C(O)NC(=O)O.O,N=C(O)NC(=O)O.O,N=C(O)NC(=O)O.O>>N.O=C=O,public_strict_iteration1_fulltrue_msa,1.260071387985075,,,s_aac7747d36921b289751af42,test
catpreddb_kcat_kcat_43676773821340,catpred_iteration1_kcat,kcat,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.1553360374650617,,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_kcat_kcat_437dcdb0d9f1f5,catpred_iteration1_kcat,kcat,E3VWJ9,E3VWJ9,MNELPRLPFDNPAILGIAPQMRALQKEGPIVRVRTAGEDAWLITRYDEVKALLSDRRLGLSDPKPERAAKSTARITMMALMAGDDYDREATEHPQMRELLVPRFSTRRMRVMKARIEQHVDELLDQLAASVAPVDLHRALSFPLPTMVVCDLLGVPLADRERIGQWARGTFDQSDSLHSVNTFQQVVDYMMELVQRKRTEPGDDILSELIAEKDGTLSDEYIAHLGCAVLLFGYETTIVRIDMGVLLMLRNPAQRALLAENPALAPAAVEEILRLAVGGKGSNALIPRYAHSDITVGETVIRTGDAVMLAIGAANIDGHAFPHADLFDLSREKPKAHMAFGHGTRHCIGRVLARIELTAVFERLFRRLPNLQLAVPEESLRWQEHRITGGFDEIPVTF,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CC1=C[C@@]23[C@H](C=C(C(=O)O)[C@@H]2COC(=O)[C@]32CO2)C1C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,1.021189299069938,,,s_e7f8f7aba8b1dc76c50acbae,test
catpreddb_kcat_kcat_43886528181bb4,catpred_iteration1_kcat,kcat,P39610,P39610,MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS,Cc1ncc(CO)c(N)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Cc1ncc(CO)c(N)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Cc1ncc(CO)c(N)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Cc1ncc(COP(=O)(O)O)c(N)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.4436974992327127,,,s_24664a2ea5a6f8e1e0451e83,test
catpreddb_kcat_kcat_438a5bcfbed6b5,catpred_iteration1_kcat,kcat,P23670,P23670,MLKDEVIKQISTPLTSPAFPRGPYKFHNREYFNIVYRTDMDALRKVVPEPLEIDEPLVRFEIMAMHDTSGLGCYTESGQAIPVSFNGVKGDYLHMMYLDNEPAIAVGRELSAYPKKLGYPKLFVDSDTLVGTLDYGKLRVATATMGYKHKALDANEAKDQICRPNYMLKIIPNYDGSPRICELINAKITDVTVHEAWTGPTRLQLFDHAMAPLNDLPVKEIVSSSHILADIILPRAEVIYDYLK,CC(=O)CC(=O)O,CC(=O)CC(=O)O,CC(=O)CC(=O)O>>CC(C)=O.O=C=O,public_strict_iteration1_fulltrue_msa,2.2174839442139063,0.6127838567197355,,s_0f3441dfef35f965873a29c2,test
catpreddb_kcat_kcat_43d83adfe38a53,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.5734887386354247,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_442e53f679be5e,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=O>>NC(CC1=CC(=O)C(=O)C=C1)C(=O)O.O,public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_44337e059d0619,catpred_iteration1_kcat,kcat,A0A165SC98,A0A165SC98,MKGKLKLFLAVGAISVIVAGCANANSQNGMKGTDQPKMNMGDSQQNTSQNKEQSGDMKLTQATPVADGKEFTITAQASNLKVSDDVTLPVWTFNNSVPGPQIRVKVGDTVKVKLKNELEEPVSIHWHGYPVPNNMDGIPGVTQDAVAAGKEFTYEFKATVPGTYWYHSHQDSVNQLDKGLYGTLIVEDPSESYDRDYTIVLDEWMSSGEMDMSNNEDMEGMDHSQMDMGDTSNNEDMQGMDHSQMDMGNTSNNEDMEGMDHSQMDMGDTSNMTEMAGHDMSMYDVYTMNGKTGDAIDKLTVKKGDKVRIRLVNAGYITHTIHLHGHEFKVIASDGQPVNSPAVITDQGIAIAPGERYDLEFTANNPGSWLLEEHGKEDRVKNMRAVIEYEGVPDRPDASNANEELPTFDLTKYGQQARTNFSLDQKFDQDVKLDLNTEMKAGEMVYTINGKLFPDTDPIKVDKGDKVKVTFVNNSKTDDHPMHLHGHFFQVLSKNGKPLEGTPVIKDTLNVKPGEEYVVAFEADNPGDWMFHCHDLHHASAGMVTDVMYNGYNSNYTPDPTVGNKPE,O=O.Oc1ccccc1O,O=O.Oc1ccccc1O,O=O.Oc1ccccc1O>>O.O=C1C=CC=CC1=O,public_strict_iteration1_fulltrue_msa,3.944729360303296,,,s_e65e1a798563d1746dac7cca,test
catpreddb_kcat_kcat_443b94d7ab03d4,catpred_iteration1_kcat,kcat,C1K5M3,C1K5M3,MIVGYRSTIITLSHPKLGNGKTISSNAIFQRSCRVRCSHSTTSSMNGFEDARDRIRESFGKLELSPSSYDTAWVAMVPSRHSLNEPCFPQCLDWIIENQREDGSWGLNPTHPLLLKDSLSSTLACLLALTKWRVGDEQIKRGLGFIETYGWAVDNKDQISPLGFEVIFSSMIKSAEKLDLNLPLNLHLVNLVKCKRDSTIKRNVEYMGEGVGELCDWKEMIKLHQRQNGSLFDSPATTAAALIYHQHDQKCYQYLNSIFQQHKNWVPTMYPTKVHSLLCLVDTLQNLGVHRHFKSEIKKALDEIYRLWQQKNEQIFSNVTHCAMAFRLLRMSYYDVSSDELAEFVDEEHFFATNGKYKSHVEILELHKASQLAIDHEKDDILDKINNWTRAFMEQKLLNNGFIDRMSKKEVELALRKFYTTSHLAENRRYIKSYEENNFKILKAAYRSPNINNKDLLAFSIHDFELCQAQHREELQQLKRWFEDYRLDQLGLAERYIHASYLFGVTVIPEPELSDARLMYAKYVMLLTIVDDHFESFASKDECFNIIELVERWDDYASVGYKSEKVKVFFSVFYKSIEELATIAEIKQGRSVKNHLINLWLELMKLMLMERVEWCSGKTIPSIEEYLYVTSITFCAKLIPLSTQYFLGIKISKDLLESDEICGLWNCSGRVMRILNDLQDSKREQKEVSINLVTLLMKSMSEEEAIMKIKEILEMNRRELLKMVLVQKKGSQLPQLCKDIFWRTSKWAHFTYSQTDGYRIAEEMKNHIDEVFYKPLNH,CC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O>>C=C1C=CC(C(C)C)CC1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.6127838567197355,-2.0409586076789066,,s_6aa345e104b32091f4540a7e,test
catpreddb_kcat_kcat_44546e5235b379,catpred_iteration1_kcat,kcat,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_d053f6b16bee1b61e3a75110,test
catpreddb_kcat_kcat_4458aca52fd8a2,catpred_iteration1_kcat,kcat,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O>>Cc1cnc(O)nc1O.O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1,public_strict_iteration1_fulltrue_msa,2.296665190261531,,,s_3be5357697ef18007ae0960b,test
catpreddb_kcat_kcat_4484db108db431,catpred_iteration1_kcat,kcat,P27306,P27306,MPHSYDYDAIVIGSGPGGEGAAMGLVKQGARVAVIERYQNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDHSRLLRSSFADILNHADNVINQQTRMRQGFYERNHCEILQGNARFVDEHTLALDCPDGSVETLTAEKFVIACGSRPYHPTDVDFTHPRIYDSDSILSMHHEPRHVLIYGAGVIGCEYASIFRGMDVKVDLINTRDRLLAFLDQEMSDSLSYHFWNSGVVIRHNEEYEKIEGCDDGVIMHLKSGKKLKADCLLYANGRTGNTDSLALQNIGLETDSRGQLKVNSMYQTAQPHVYAVGDVIGYPSLASAAYDQGRIAAQALVKGEATAHLIEDIPTGIYTIPEISSVGKTEQQLTAMKVPYEVGRAQFKHLARAQIVGMNVGTLKILFHRETKEILGIHCFGERAAEIIHIGQAIMEQKGGGNTIEYFVNTTFNYPTMAEAYRVAALNGLNRLF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N=C(S)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,2.414137362184477,,,s_7070fe747b7f5a0a85ee64cc,test
catpreddb_kcat_kcat_4498455f54ae94,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1.O,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1.O,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1.O>>CCOP(=O)(O)OCC.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.1556396337597763,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_44d94a2e750b75,catpred_iteration1_kcat,kcat,B8RCD2,B8RCD2,MGSIEQKSRILVFGGTGYIGNFIVKACVAAGHPTYVYVRPMKPDHNPSKLDVLNEYKSLGVTIFEGELDEHEKLVDVLRQVDIVIVTLAIPQCHEQHKIIEAMKEAGNIKRFIPSEFGNDVDRISPLPPFQEGVCKIKKGVRRAAEKSGIPYTFVSSNSCGAYFVNFLLRPSDEKLRKVTVYGTGEAKFPLNYEKDIAEYTLRLATDPRAANSLVFYRPPKNIVSQLDLISSWEKKTGRTLEKTYVSEEEIIKLSQTASTVQDAVGTSILHSIFVKGEQMNFELKEDELEVSKLYPDYKYTSVDELLDIFLVDPPKPASAAFG,CC(=O)OC/C=C/c1ccc(O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)OC/C=C/c1ccc(O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)OC/C=C/c1ccc(O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C/C=C/c1ccc(O)cc1.CC(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_d920ecd05e5eb8e840713999,test
catpreddb_kcat_kcat_44e0b2c3a751a1,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_452d145926bdf4,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>C/C=C(\C)C(=O)[O-].CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,public_strict_iteration1_fulltrue_msa,-1.6382721639824072,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_45d0766fc9a4a7,catpred_iteration1_kcat,kcat,Q3JFG0,Q3JFG0,MAGAPGRRRSVRRRAALPALPATKQTQPPKQHERAAEAPSPEPQADTPYRTPTMTTPVFDAAQTARVTPFAELVDALRTAALDADAGRIESPARLVVPLNEGGVMLSMPASAADLAIHKLVTVCPRNRGGDLPTIQGQVSVVDPATGAPLFALDGPTVTGRRTAAVTLLALRTFVAAAPRDVLLIGTGTQAAHHVEALAALFPGVRVRVKARAPAQAAAFCARLRAVLPTLEPLGGDTLPETLDAVITATTSATPVYDDAARAGRLVVGVGAFTPGAAEVGARTIAGSALYVDDPAGARHEAGDLIVAGVDWARVRSLADALRATVSTPASNASPAPGAPVFFKSVGCAAWDLAACRVARAVTSRTRACT,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1CCCN1,public_strict_iteration1_fulltrue_msa,0.7781512503836436,,,s_19ed6e5da2719650b2a814ae,test
catpreddb_kcat_kcat_45d9dab5d40508,catpred_iteration1_kcat,kcat,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,NC(CO)C(=O)N1CCCC1C(=O)O.O,NC(CO)C(=O)N1CCCC1C(=O)O.O,NC(CO)C(=O)N1CCCC1C(=O)O.O>>NC(CO)C(=O)O.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_668310886d09794f507cf2a6,test
catpreddb_kcat_kcat_46000876b4adf4,catpred_iteration1_kcat,kcat,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CC(=O)C(C)(O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(C)(O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(C)(O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(O)C(C)(O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.2006594505464183,,,s_7aed539f1fd0d29a964f808a,test
catpreddb_kcat_kcat_46047451e9790d,catpred_iteration1_kcat,kcat,P37651,P37651,MNVLRSGIVTMLLLAAFSVQAACTWPAWEQFKKDYISQEGRVIDPSDARKITTSEGQSYGMFSALAANDRAAFDNILDWTQNNLAQGSLKERLPAWLWGKKENSKWEVLDSNSASDGDVWMAWSLLEAGRLWKEQRYTDIGSALLKRIAREEVVTVPGLGSMLLPGKVGFAEDNSWRFNPSYLPPTLAQYFTRFGAPWTTLRETNQRLLLETAPKGFSPDWVRYEKDKGWQLKAEKTLISSYDAIRVYMWVGMMPDSDPQKARMLNRFKPMATFTEKNGYPPEKVDVATGKAQGKGPVGFSAAMLPFLQNRDAQAVQRQRVADNFPGSDAYYNYVLTLFGQGWDQHRFRFSTKGELLPDWGQECANSH,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.7958800173440752,,,s_e43ddeef13d977fe0fac26ff,test
catpreddb_kcat_kcat_460972a31298f0,catpred_iteration1_kcat,kcat,X5I0G8,X5I0G8,VGFKAGVKEYKLTYYTPEYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVLGEKDQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPPAYIKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALYKAQAETGEIKGHYLNATAGTCEEMIKRAVFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHSGTVVGKLEGEREITLGFVDLLRDDFIEKDRSRGIYFTQDWVSLPGVIPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAAEGNAIIREASKWS,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O>>O=C(COP(=O)(O)O)C(=O)C(O)COP(=O)(O)O.OO,public_strict_iteration1_fulltrue_msa,0.4313637641589873,,,s_fe295527f461b2bbd47b7412,test
catpreddb_kcat_kcat_463740bd070ac2,catpred_iteration1_kcat,kcat,P24346,P24346,MSHVAVENVLNLDQQFAGLDLNSADAESGVAGTKGRYIPPHLRNKEASRNDSNWDSGRGGNGYINGMQDDRDGRMNGYDRGGYGSRGTGRSDRGFYDRENSGWNSGRDKDAYSSFGSRGDRGKGSLFNERGSGSRRTDDRRQDGFDGMGNRSDKSGFGRFDRGNSRWSDDRNDEDDWSKPLAPNDRVEQELFSGSNTGINFEKYDDIPVEATGSNCPPHIESFHDVTMGEIIMGNIQLTRYTRPTPVQKHAIPIIIEKRDLMACAQTGSGKTAAFLLPILSQIYADGPGDAMKHLQENGRYGRRKQFPLSLVLAPTRELAVQIYEEARKFAYRSRVRPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRQTMMFSATFPKEIQILARDFLDEYIFLAVGRVGSTSENITQKVVWVEEMDKRSFLLDLLNATGKDSLTLVFVETKKGADALEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGRVGNLGLATSFFNEKNINITKDLLDLLVEAKQEVPSWLENMAYEQHHKSSSRGRSKSRFSGGFGAKDYRQSSGAGSSFGSSRGGRSSGHGGSRGFGGGYGGFYNSDGYGGNYGGSSQVDWWGN,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.O,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.O,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1.O>>Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.7323937598229686,,,s_cb9dab15f0923a3851d27ae2,test
catpreddb_kcat_kcat_46377334ad9b05,catpred_iteration1_kcat,kcat,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.948412965778601,,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_kcat_kcat_4655ccc14228b5,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(O)(CC(=O)O)CC(=O)O,public_strict_iteration1_fulltrue_msa,-1.1023729087095586,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_4669b1738845bf,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.0969100130080563,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_466ddd00db8530,catpred_iteration1_kcat,kcat,O67636,O67636,MAILSSMFNPSPPQGFCKKNIIKILKSLSMQNVLIVGVGFMGGSFAKSLRRSGFKGKIYGYDINPESISKAVDLGIIDEGTTSIAKVEDFSPDFVMLSSPVRTFREIAKKLSYILSEDATVTDQGSVKGKLVYDLENILGKRFVGGHPIAGTEKSGVEYSLDNLYEGKKVILTPTKKTDKKRLKLVKRVWEDVGGVVEYMSPELHDYVFGVVSHLPHAVAFALVDTLIHMSTPEVDLFKYPGGGFKDFTRIAKSDPIMWRDIFLENKENVMKAIEGFEKSLNHLKELIVREAEEELVEYLKEVKIKRMEID,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,1.1139433523068367,,,s_bc9221c35c7214224092dbad,test
catpreddb_kcat_kcat_468bb6a2967345,catpred_iteration1_kcat,kcat,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,COc1cc(/C=C/C=O)cc(O)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,COc1cc(/C=C/C=O)cc(O)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,COc1cc(/C=C/C=O)cc(O)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>COc1cc(CCC=O)cc(O)c1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.7721132953863264,,,s_08cbf502c176a7783bac2948,test
catpreddb_kcat_kcat_46afc8169ce5a7,catpred_iteration1_kcat,kcat,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.8388490907372553,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_46d16b06530774,catpred_iteration1_kcat,kcat,D4N500,D4N500,MEKAKLMKLGNGMEIPSVQELAKLTLAEIPSRYVCANENLLLPMGASVINDHETIPVIDIENLLSPEPIIGKLELDRLHFACKEWGFFQVVNHGVDASLVDSVKSEIQGFFNLSMDEKTKYEQEDGDVEGFGQGFIESEDQTLDWADIFMMFTLPLHLRKPHLFSKLPVPLRETIESYSSEMKKLSMVLFNKMEKALQVQAAEIKGMSEVFIDGTQAMRMNYYPPCPQPNLAIGLTSHSDFGGLTILLQINEVEGLQIKREGTWIAVKPLPNAFVVNVGDILEIMTNGIYHSVDHRAVVNSTNERLSIATFHDPSLESVIGPISSLITPETPALFKSGSTYGDLVEECKTRKLDGKSFLDSMRI,COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5.O=C(O)CCC(=O)C(=O)O.O=O,COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5.O=C(O)CCC(=O)C(=O)O.O=O,COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5.O=C(O)CCC(=O)C(=O)O.O=O>>C=O.COc1ccc2c3c1OC1C(=O)CC=C4C(C2)N(C)CCC431.O=C(O)CCC(=O)O.O=C=O,public_strict_iteration1_fulltrue_msa,-1.769551078621726,,,s_e36fe41b61be86b8015e2b49,test
catpreddb_kcat_kcat_4709718779ab58,catpred_iteration1_kcat,kcat,P71447,P71447,MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLEKMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSYYTLEFLKEVWLQKQK,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-1.749579997691106,,,s_a76484e5b19a83bd01990ff4,test
catpreddb_kcat_kcat_4709e77824277d,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,O,O,O>>CC(C)CC(N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,1.1205739312058498,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_471fbd5b956195,catpred_iteration1_kcat,kcat,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12>>,public_strict_iteration1_fulltrue_msa,1.1139433523068367,,,s_27531fb3688217415c49ec38,test
catpreddb_kcat_kcat_4723e4b31ba522,catpred_iteration1_kcat,kcat,P07913,P07913,MKALSKLKAEEGIWMTDVPVPELGHNDLLIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVGIGQEVKGFKIGDRVSGEGHITCGHCRNCRGGRTHLCRNTIGVGVNRPGCFAEYLVIPAFNAFKIPDNISDDLAAIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVAKHVGARNVVITDVNEYRLELARKMGITRAVNVAKENLNDVMAELGMTEGFDVGLEMSGAPPAFRTMLDTMNHGGRIAMLGIPPSDMSIDWTKVIFKGLFIKGIYGREMFETWYKMAALIQSGLDLSPIITHRFSIDDFQKGFDAMRSGQSGKVILSWD,CC(O)C(N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(O)C(N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(O)C(N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)C(N)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,5.686636269262293,,,s_4738684cd83688944be39dab,test
catpreddb_kcat_kcat_47464fa26cf277,catpred_iteration1_kcat,kcat,P13513,P13513,MENFPTEYFLNTTVRLLEYIRYRDSNYTREERIENLHYAYNKAAHHFAQPRQQQLLKVDPKRLQASLQTIVGMVVYSWAKVSKECMADLSIHYTYTLVLDDSKDDPYPTMVNYFDDLQAGREQAHPWWALVNEHFPNVLRHFGPFCSLNLIRSTLDFFEGCWIEQYNFGGFPGSHDYPQFLRRMNGLGHCVGASLWPKEQFNERSLFLEITSAIAQMENWMVWVNDLMSFYKEFDDERDQISLVKNYVVSDEISLHEALEKLTQDTLHSSKQMVAVFSDKDPQVMDTIECFMHGYVTWHLCDRRYRLSEIYEKVKEEKTEDAQKFCKFYEQAANVGAVSPSEWAYPPVAQLANVRSKDVKEVQKPFLSSIELVE,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C1CCC[C@]1(C)[C@]1(C)CC=C(C)CC1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.8601209135987634,-4.107905397309519,,s_e07b39022512286a54bacbc8,test
catpreddb_kcat_kcat_4757ee28588f77,catpred_iteration1_kcat,kcat,Q9UVQ2,Q9UVQ2,MSRFQSLFFFVLVSLTAVANAAIGPVADLTLTNAQVSPDGFAREAVVVNGITPAPLITGNKGDRFQLNVIDQLTNHTMLKTSSIHWHGFFQQGTNWADGPAFVNQCPIASGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPHASLYDIDNDDTVITLADWYHVAAKLGPRFPFGSDSTLINGLGRTTGIAPSDLAVIKVTQGKRYRFRLVSLSCDPNHTFSIDNHTMTIIEADSINTQPLEVDSIQIFAAQRYSFVLDASQPVDNYWIRANPAFGNTGFAGGINSAILRYDGAPEIEPTSVQTTPTKPLNEVDLHPLSPMPVPGSPEPGGVDKPLNLVFNFNGTNFFINDHTFVPPSVPVLLQILSGAQAAQDLVPEGSVFVLPSNSSIEISFPATANAPGFPHPFHLHGHAFAVVRSAGSSVYNYDNPIFRDVVSTGQPGDNVTIRFETNNPGPWFLHCHIDFHLDAGFAVVMAEDTPDTKAANPVPQAWSDLCPIYDALDPSDL,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O>>COC1=CC(=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O.O,public_strict_iteration1_fulltrue_msa,1.421603926869831,,,s_d45fcdab7810d2b63f6ed638,test
catpreddb_kcat_kcat_4759ca16662f4b,catpred_iteration1_kcat,kcat,A0A0P0ISK8,A0A0P0ISK8,MSKSIARMTIDPQYQLADVDPRLFGSFIEHLGRAVYGGIYEPDHPSADEMGFRQDVLELVRELQVPIVRYPGGNFVSGYRWEDGVGPLASRPAQLDLAWRSLEPNRVGVNEFVEWAKRANSEVMMAVNLGTRGIDEAKQIVEYCNHPGGSYWSDLRKSHGYEQPHGIKVWCLGNEMDGPWQIGHKTAEEYGRIAEEAAKVMKWVDPSIELVACGSSGSKMPTFPDWERIVLEHTYDHVEYISMHSYYGNRENDLATYLAQSLDMDHFIRSVIATCDYVKAKKRSKKTINISFDEWNVWFHSNEADKQVAPWQVGPPLLEDVYTFEDALVVGCLLITLLRHADRVKMACLAQLVNVIAPIMTENGGVSWKQTIYYPFLHASRYGRGKVMHCSLQSPKYDCKEFTDVPLVESVAVWNQDIAELTIFAVNRSQDGGIELECDIRGFAQASVIEHTVLVHSDLKAANTKEEPQEVIPQHAQGAKVDGGLLFAPLPKLSWNVIRLRV,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.3617278360175928,,,s_abce955d3d9452e2c62d6ebd,test
catpreddb_kcat_kcat_4763e9ed1de40c,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O.O>>,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_477d3bb593ed8d,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,CC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,CC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CC(C)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.1760912590556813,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_47b8d5b35443a7,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.8961962790440432,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_47baf895ef2e57,catpred_iteration1_kcat,kcat,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,CC(O)C(O)C1CN=C2NC(=N)N=C(O)C2(O)N1.CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.O=O,CC(O)C(O)C1CN=C2NC(=N)N=C(O)C2(O)N1.CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.O=O,CC(O)C(O)C1CN=C2NC(=N)N=C(O)C2(O)N1.CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.O=O>>CC(O)C(O)C1CN=C2NC(=N)N=C(O)C2(O)N1.O=O,public_strict_iteration1_fulltrue_msa,3.89209460269048,,,s_11464cac78fa396921bed3a7,test
catpreddb_kcat_kcat_47c29078b3f316,catpred_iteration1_kcat,kcat,Q59718,Q59718,MSVIAITGSASGIGAALKELLARAGHTVIGIDRGQADIEADLSTPGGRETAVAAVLDRCGGVLDGLVCCAGVGVTAANSGLVVAVNYFGVSALLDGLAEALSRGQQPAAVIVGSIAATQPGAAELPMVEAMLAGDEARAIELAEQQGQTHLAYAGSKYAVTCLARRNVVDWAGRGVRLNVVAPGAVETPLLQASKADPRYGESTRRFVAPLGRGSEPREVAEAIAFLLGPQASFIHGSVLFVDGGMDALMRAKTF,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,1.3617278360175928,,,s_d157ec4a40d8cc628dd60cdd,test
catpreddb_kcat_kcat_48063ef79762ea,catpred_iteration1_kcat,kcat,B8I944,B8I944,MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINELKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLDVHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLEVLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRTAGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMGGTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECHKHS,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,public_strict_iteration1_fulltrue_msa,1.7474118078864234,1.7283537820212285,,s_fdd4fe1170624f6293cad7e3,test
catpreddb_kcat_kcat_48134972811255,catpred_iteration1_kcat,kcat,A3DEX4,A3DEX4,MPKKLKKIIKLCSMVFVIGILTLLLPEKGAADYPIFSQRFTADPAAVVYNGRLYIYCSHDSDATPGQSTYNIPDITCISTDDLKNWTDHGEVFNAKRDSRWASVSWAPSIVYRNNKFYLYYGNGGNGIGVAVSDSPTGPFKDPLPGPLVSWNTPGVQPAQNMWLFDPGVFVDDDGQAYMYFGGNGQNNIRVIKLGNDMISTVGSAMTMSAPRFFEAAYMHKYNGKYYFSYASDFSQGASKIEYMMSDKPTTGFQYKGVILPQPPDNYSNNNHHAIVEYKGNWYVVYHNRTVAKQRGLDPVYQRNVCIDQMFYNADGTIKQVVPTVDGLKQLKYVDPYTKNLAVTMHKESGIETEECSEGGRNVAFIENGDWIQVKGVDFGNVGPTSFEARVASATNGGNIEIRLDSPTGTLIGTCKVEGTGDWQKWVTKTCSVSKVTGVHDLFFRFTGGSGYLFNFSWWKFNSDATPTPTPPPQPSTVPVTERSAFSKIEVEDFNDIKSSTIQKIGTPNGGSGIGYIENGDWLAYKNIDFGNGATTFKALVASTLSPNIELRLDSPTGTLIGTLKVAATGGFNAYEEQSCNISKVTGKHDLYLVFSGAVNIDWFTFGGSSGIIKRGDTNSDGKINSTDVTALKRHLLRVTQLTGDNLANADVNGDGNVNSTDLLLLKRYILGEIENFPI,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.6794278966121189,,,s_55fc837940c28ac01a3c5307,test
catpreddb_kcat_kcat_48219212ee386a,catpred_iteration1_kcat,kcat,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)Cc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)Cc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)Cc3ccccc3)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,1.3911116137028026,,,s_9cc6c1623917d877b3099a50,test
catpreddb_kcat_kcat_482d62c76ade20,catpred_iteration1_kcat,kcat,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H+],public_strict_iteration1_fulltrue_msa,1.130333768495006,,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_kcat_kcat_48431e20cea669,catpred_iteration1_kcat,kcat,W8VZ54,W8VZ54,MTSYDYDYVVIGGGSGGMASSKEAARLGARVALFDFVKPSTQGTKWGLGGTCVNVGCVPKKLMHYAGLLGAGLHDARHFGWRLGEPTHDWTALRTAVQNHVKSLNFGYRNGLRSAKVNYLNQLARFADPHTVEYTEKDGSVKRLTAAHICISVGGRPIIPTDVPGAVEHAITSDDIFALKNAPGRTLVVGASYIALECAGFLNELGYDVTVAVRSIVLRGFDRQCSEKVASLMADIGVKFKYGPLPTKIEKADGQLHVTFSDGTVDTYQTVLYATGRYADTGGLALENAGVVVGKNGKIPVINEVTNVPHIYAVGDIVEGGLELTPVAIRAGELLARRLFAGATEQMDYVNVPTAVFTPFEYGCVGYTEEAAIAKYGEENIETYLFEFASLELGAAHRSKVPARRADEFDDALPLPCLSKLVCLKPEGERVVGFHYVGPNAGEVTQGFALAVILGATKKDFNKVIGIHPTDAESFTALDITRASGQPFAASGGCGGGKCG,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C([O-])c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-].[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C([O-])c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-].[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C([O-])c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-].[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)c1cc(S)ccc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,1.0293837776852095,,,s_e77e91408a71927ee8058d29,test
catpreddb_kcat_kcat_486e31e8376517,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-1.3979400086720375,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_48978437a3bc7f,catpred_iteration1_kcat,kcat,Q9CKB0,Q9CKB0,MKNLKGIFSALLVSFNADGSINEKGLRQIVRYNIDKMKVDGLYVGGSTGENFMLSTEEKKEIFRIAKDEAKDEIALIAQVGSVNLQEAIELGKYATELGYDSLSAVTPFYYKFSFPEIKHYYDSIIEATGNYMIVYSIPFLTGVNIGVEQFGELYKNPKVLGVKFTAGDFYLLERLKKAYPNHLIWAGFDEMMLPAASLGVDGAIGSTFNVNGVRARQIFELTQAGKLKEALEIQHVTNDLIEGILANGLYLTIKELLKLDGVEAGYCREPMTKELSPEKVAFAKELKAKYLS,CC(=O)C(=O)O.CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H](C=O)N=C(C)O,CC(=O)C(=O)O.CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H](C=O)N=C(C)O,CC(=O)C(=O)O.CO[C@H](CO)[C@@H](O)[C@H](O)[C@@H](C=O)N=C(C)O>>CO[C@H](CO)[C@@H](O)[C@@H]1O[C@@](O)(C(=O)O)C[C@H](O)[C@H]1N=C(C)O,public_strict_iteration1_fulltrue_msa,0.2787536009528289,,,s_4e42204780ed0b8eec266a30,test
catpreddb_kcat_kcat_48bb6adaea0caa,catpred_iteration1_kcat,kcat,A0A3G4RI75,A0A3G4RI75,MILAGDIGGTKTVLSLLEKGADGLMNCALERTFASAEYDSFDEILDLFLPGDIQIDSACFGVAGPVVEQRCFATNLSWILDGQELKSKLGTERVRLLNDLEAMAVGMLHLDPDDFIELNPAAEPQTGNIAVIAAGTGLGEAILYWDGKQHHPIATEGGHGSFAPQNAQQDLLLQFLRRRYPQHVSYERILSGKGFSHLYDFLLEYQFAPPCPAVPSVDSVQVSGIDRNAVISRLGINGEDVLCSEAVRLFVEIYGAEAGNLVLKSFATGGVFIGGGIGPKIRSALEAGDFMQAFAAKGRFQTLLGRMSVKLALNPRTPLIGAAHYFQAD,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.9605858808238628,,,s_158a3e9d75230b3579248779,test
catpreddb_kcat_kcat_490a25bf102359,catpred_iteration1_kcat,kcat,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,N=c1nc(O)c2nc[nH]c2[nH]1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,N=c1nc(O)c2nc[nH]c2[nH]1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,N=c1nc(O)c2nc[nH]c2[nH]1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_819c9375ca8203a769c0057f,test
catpreddb_kcat_kcat_49346086a99b3b,catpred_iteration1_kcat,kcat,Q8GMG0,Q8GMG0,MALTQVETEIVPVSVDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNIPIYGVTTGYGEMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIVAARLNTLAKGHSAVRPIILERLAQYLNEGITPAIPEIGSLGASGDLAPLSHVASTLIGEGYVLRDGRPVETAQVLAERGIEPLELRFKEGLALINGTSGMTGLGSLVVGRALEQAQQAEIVTALLIEAVRGSTSPFLAEGHDIARPHEGQIDTAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRSEIYLQKAYSLRAIPQVVGAVRDTLYHARHKLRIELNSANDNPLFFEGKEIFHGANFHGQPIAFAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAGAQYPATALVAENRTIGPASTQSVPSNGDNQDVVSMGLISARNARRVLSNNNKILAVEYLAAAQAVDISGRFDGLSPAAKATYEAVRRLVPTLGVDRYMADDIELVADALSRGEFLRAIARETDIQLR,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>NC(CC(=O)O)c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,4.0,-2.0955570663200938,,s_ed7ffc280e1a91db2c848542,test
catpreddb_kcat_kcat_4943eb7ee69ba3,catpred_iteration1_kcat,kcat,P58795,P58795,MTKVLVLYYSSYGHIETMAYAVAEGVESTGAEAVVKRVPELVPEEVAKSSHFKMDQPAPVATVDELAEYDAIIVGAGTRFGTVASQMRNFWDQTGGLWFSGKLVGKVGSAFTSSATQHGGQESTILGFIPTFLHHGMAVVGLPYAFQGQMGVDEIKGGSPYGASTITDGDGSRQPSAIELDAARYQGAHVAKLAAKLSA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CC(=O)C=C1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CC(=O)C=C1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CC(=O)C=C1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,3.505149978319906,,,s_4c96caaf4c01798e4214903b,test
catpreddb_kcat_kcat_495f459e0e5631,catpred_iteration1_kcat,kcat,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,0.0899051114393979,,,s_d45caf713d065ae4220c2800,test
catpreddb_kcat_kcat_499044e48ffa4e,catpred_iteration1_kcat,kcat,Q8VHF5,Q8VHF5,MALLTAAARLLGAKNSSCLVLAARHASASSTNLKDILSNLIPKEQARVKTFRQQHGKTVVGQITVDMMYGGMRGMKGLVYETSVLDPDEGIRFRGYSIPECQKLLPKAKGGEEPLPEGLFWLLVTGQMPTEEQVSWLSQEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAITALNSESNFARAYAEGINRTKYWELIYEDCMDLIAKLPCVAAKIYRNLYREGSSIGAIDSKLDWSHNFTNMLCYTEPQFTELMRLYLTIHSDHDGGNVSAHTSHLVGSALSDTYLSFAAAMNGLAGPLHGLANQEVLVWLTQLQKEVGKDVSDEKLRDYIWNTLNSGRVVPGYGHAVLRKTDPRYSCQREFALKHLPKDPMFKLVAQLYKIVPNILLEQGKAKNPWPNVDAHSGVLLQYYGMTEMNYYTVLFGVSRALGVLAQLIWSRALGFPLERPKSMSTDGLMKFVDSKSG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O.O=C(O)CC(=O)C(=O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O.O=C(O)CC(=O)C(=O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O.O=C(O)CC(=O)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)CC(O)(CC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,5.892094602690481,,,s_d0c6cf86befa4642af938787,test
catpreddb_kcat_kcat_4a40606edca4e0,catpred_iteration1_kcat,kcat,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_feb69b7c7de35df748b92a04,test
catpreddb_kcat_kcat_4a597ed6f68344,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=P(O)(O)OCC1OC(O)C(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=P(O)(O)OCC1OC(O)C(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=P(O)(O)OCC1OC(O)C(O)C1O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=P(O)(O)OCC(O)C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,0.6127838567197355,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_4a6cfe21e7f01e,catpred_iteration1_kcat,kcat,Q1M7F4,Q1M7F4,MDAMVETNRHFIDADPYPWPYNGALRPDNTALIIIDMQTDFCGKGGYVDHMGYDLSLVQAPIEPIKRVLAAMRAKGYHIIHTREGHRPDLADLPANKRWRSQRIGAGIGDPGPCGRILTRGEPGWDIIPELYPIEGETIIDKPGKGSFCATDLELVLNQKRIENIILTGITTDVCVSTTMREANDRGYECLLLEDCCGATDYGNHLAAIKMVKMQGGVFGSVSNSAALVEALP,N=C(O)NC(=N)O.O,N=C(O)NC(=N)O.O,N=C(O)NC(=N)O.O>>N.N=C(N)O.O=C=O,public_strict_iteration1_fulltrue_msa,1.0755469613925308,,,s_9703e782c71ec0fd8b7e8ed1,test
catpreddb_kcat_kcat_4a73b90a60b55a,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CO,public_strict_iteration1_fulltrue_msa,2.9444826721501687,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_4a8e2a2d0b687e,catpred_iteration1_kcat,kcat,P0AG18,P0AG18,MSSRNNPARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAHRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRGAA,O=C(O)Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,O=C(O)Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,O=C(O)Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.1903316981702914,-0.8538719643217619,,s_c1004897da4bd8e576950e7c,test
catpreddb_kcat_kcat_4aab5e95426783,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,-1.8860566476931635,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_4abd8271f4b34f,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)CS,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)CS,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)CS>>N[C@@H](CS)C(=O)O.Nc1ccccc1C(=O)CC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.3565473235138126,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_4ac320939155f5,catpred_iteration1_kcat,kcat,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,COC1=CC(=O)C=C(OC)C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,COC1=CC(=O)C=C(OC)C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,COC1=CC(=O)C=C(OC)C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>COc1cc(O)cc(OC)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.7481880270062,,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_kcat_kcat_4ac68ae49b003c,catpred_iteration1_kcat,kcat,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O.O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O.O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O.O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>O=[N+]([O-])c1ccccc1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.238297067875394,,,s_05faba509306d0ae6d9f3eea,test
catpreddb_kcat_kcat_4aea12a9acc3b0,catpred_iteration1_kcat,kcat,P11032,P11032,MRNASGPRGPSLATLLFLLLIPEGGCERIIGGDTVVPHSRPYMALLKLSSNTICAGALIEKNWVLTAAHCNVGKRSKFILGAHSINKEPEQQILTVKKAFPYPCYDEYTREGDLQLVRLKKKATVNRNVAILHLPKKGDDVKPGTRCRVAGWGRFGNKSAPSETLREVNITVIDRKICNDEKHYNFHPVIGLNMICAGDLRGGKDSCNGDSGSPLLCDGILRGITSFGGEKCGDRRWPGVYTFLSDKHLNWIKKIMKGSV,N=C(N)NCCC[C@H](N=C(O)CN=C(O)OCc1ccccc1)C(=O)SCc1ccccc1.O,N=C(N)NCCC[C@H](N=C(O)CN=C(O)OCc1ccccc1)C(=O)SCc1ccccc1.O,N=C(N)NCCC[C@H](N=C(O)CN=C(O)OCc1ccccc1)C(=O)SCc1ccccc1.O>>N=C(N)NCCC[C@H](N=C(O)CN=C(O)OCc1ccccc1)C(=O)O.SCc1ccccc1,public_strict_iteration1_fulltrue_msa,1.7708520116421442,,,s_2717a1dc500e71829f5ad886,test
catpreddb_kcat_kcat_4aec5e5e6c57c8,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-3.1739251972991736,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_4b076e97a6cf8d,catpred_iteration1_kcat,kcat,Q62087,Q62087,MGKLVALTLLGACLALIGERLLNFRERVSTTREIKATEPQNCHLIEGLENGSEDIDILPSGLAFISTGLKYPGMPAFAPDKPGRIFLMDLNEQNPEAQALEISGGLDQESLNPHGISTFIDKDNTAYLYVVNHPNMDSTVEIFKFEEQQRSLIHLKTLKHELLKSVNDIVVLGPEQFYATRDHYFTSYFLVLLEMILDPHWTSVVFYSPKEVKVVAQGFSSANGITVSLDQKFVYVADVTAKNIHIMKKHDNWDLTPVKVIQLGTLVDNLTVDPATGDILAGCHPNPMKLLIYNPEDPPGSEVLRIQDSLSDKPRVSTLYANNGSVLQGSTVASVYHKRMLIGTIFHKALYCDL,CC(=O)Oc1ccc2ccccc2c1.O,CC(=O)Oc1ccc2ccccc2c1.O,CC(=O)Oc1ccc2ccccc2c1.O>>CC(=O)O.Oc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,0.3263358609287514,,,s_8355cc7a8bc57f26e925c227,test
catpreddb_kcat_kcat_4b10fa657e438b,catpred_iteration1_kcat,kcat,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2[nH]1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_0ad9625fa36195c17c775d5c,test
catpreddb_kcat_kcat_4b64e8c608d14a,catpred_iteration1_kcat,kcat,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.656098202012832,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_4b82dfffa029de,catpred_iteration1_kcat,kcat,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.899273187317604,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_4b9b52bb588fc2,catpred_iteration1_kcat,kcat,A0A0E3JXX5,A0A0E3JXX5,MPRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAEYKRKSPSGLDVERDPIEYSKFMERYAVGLSILTEEKYFNGSYETLRKIASSVSIPILMKDFIVKESQIDDAYNLGADTVLLIVKILTERELESLLEYARSYGMEPLIEINDENDLDIALRIGARFIGINSRDLETLEINKENQRKLISMIPSNVVKVAESGISERNEIEELRKLGVNAFLIGSSLMRNPEKIKEFIL,O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(O)c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)(O)O>>O.O=C=O.O=P(O)(O)OC[C@@H](O)[C@@H](O)c1c[nH]c2ccccc12,public_strict_iteration1_fulltrue_msa,0.4983105537896005,-3.747618537419268,,s_a5678301cecc2d1e42270d7e,test
catpreddb_kcat_kcat_4ba2fac1d05e79,catpred_iteration1_kcat,kcat,E2CWD2,E2CWD2,MAPKSSTRVPLSVKGPIDCPYEGKEMLNLPQFNRGTAFTAEERDLFNLVGNLPAALQTLQNQVDRAYDQYSSISTALGKNTFLMSLKVQNEVLYFKLLQDHLKEMFSIIYTPTESEAIEHYSRLFRRPEGCFLNINHPEYIERSLAAWGTEEDIDYIIVSDGEEILGIGDQGVGAIGISSAKAVLMTLCAGVHPSRCIPVALDVGTDNEQLLEDELYLGNRHNRVRGGRYDKFVDDFVQCVKKLYPRAVLHFEDFGLPNARRLLDTYRPRLACFNDDVQGTGAVTLAALSSAVRVAGIDFRDLRTVIFGAGTAGTGIADQLRDFLNTQGISKQQVIDHIWLVDKPGLLLKSMHDKLTSAQRPYAASDDRWKEIDTKSLSEIVKKVKPHVLIGCSTKPKAFNEAVLREMAKHVERPIVFPLSNPTRLHEATPAEIFKYTDGKALVATGSPFDPVDGKEIAENNNCFVYPGIGMGSILSRADRVTETMIAAVVKELASLAPSEKDPTGALLPDVADIRDISAKIATAVVLQALEEGTARVEEIEGIKVPRDRDHCLEWVKEQMWQPEYRPLRKV,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O>>CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C=O.[H],public_strict_iteration1_fulltrue_msa,1.0569048513364727,,,s_7575381591ce1f3fb1ab1419,test
catpreddb_kcat_kcat_4bbdd507cb242e,catpred_iteration1_kcat,kcat,P21437,P21437,MMSLAWPLFRVTEQAALAAWPQTGCGDKNKIDGLAVTAMRQALNDVAFRGRVVIGEGEIDHAPMLWIGEEVGKGDGPEVDIAVDPIEGTRMVAMGQSNALAVMAFAPRDSLLHAPDMYMKKLVVNRLAAGAIDLSLPLTDNLRNVAKALGKPLDKLRMVTLDKPRLSAAIEEATQLGVKVFALPDGDVAASVLTCWQDNPYDVMYTIGGAPEGVISACAVKALGGDMQAELIDFCQAKGDYTENRQIAEQERKRCKAMGVDVNRVYSLDELVRGNDILFSATGVTGGELVNGIQQTANGVRTQTLLIGGADQTCNIIDSLH,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.3979400086720376,,,s_177b6147736721bc6e5504f1,test
catpreddb_kcat_kcat_4bd6d1bbf67a50,catpred_iteration1_kcat,kcat,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,C[C@H](N=C(O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,C[C@H](N=C(O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O>>C[C@H](N=C(O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.N=C(N)NCCC[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.1760912590556811,,,s_2caefa44f3749bcdb7479c26,test
catpreddb_kcat_kcat_4bda28fcbcc31a,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCCCCN.O.O=O,CCCCCN.O.O=O,CCCCCN.O.O=O>>CCCCC=O.N.OO,public_strict_iteration1_fulltrue_msa,0.6364878963533654,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_4c1eff6eb91c5f,catpred_iteration1_kcat,kcat,P09147,P09147,MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.6989700043360187,,,s_4369495df3d7617c874a103e,test
catpreddb_kcat_kcat_4c1f237fc3238a,catpred_iteration1_kcat,kcat,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](O)[C@@H](C(C)O)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](C(C)O)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](C(C)O)O2)c(=O)nc1O.O=P(O)(O)O>>C[C@H](O)[C@H]1OC(OP(=O)(O)O)C[C@@H]1O.Cc1cnc(O)nc1O,public_strict_iteration1_fulltrue_msa,-0.3467874862246563,,,s_3be5357697ef18007ae0960b,test
catpreddb_kcat_kcat_4c27e4f28df358,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NC(CCSCC(N)C(=O)O)C(=O)O.O,NC(CCSCC(N)C(=O)O)C(=O)O.O,NC(CCSCC(N)C(=O)O)C(=O)O.O>>CC(=O)C(=O)O.N.NC(CCS)C(=O)O,public_strict_iteration1_fulltrue_msa,0.8450980400142568,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_4c40a15e8d8d50,catpred_iteration1_kcat,kcat,P24670,P24670,MKTVTVKNLIIGEGMPKIIVSLMGRDINSVKAEALAYREATFDILEWRVDHFMDIASTQSVLTAARVIRDAMPDIPLLFTFRSAKEGGEQTITTQHYLTLNRAAIDSGLVDMIDLELFTGDADVKATVDYAHAHNVYVVMSNHDFHQTPSAEEMVLRLRKMQALGADIPKIAVMPQSKHDVLTLLTATLEMQQHYADRPVITMSMAKEGVISRLAGEVFGSAATFGAVKQASAPGQIAVNDLRSVLMILHNA,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O>>O.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,public_strict_iteration1_fulltrue_msa,0.041392685158225,,,s_6e2f32d064d86ca5896055ca,test
catpreddb_kcat_kcat_4c7379798a3ecb,catpred_iteration1_kcat,kcat,B5ARZ9,B5ARZ9,MNLKNLIIYEAFARAYPGEKGKKFLSLEKDLERLKGMGINTVWLMPIHPTGVEGRKGTLGSPYAIRDYYEIDLLIGTKGDFKKFVKRAHELNMYVLMDMVLNHAAVDNVLVKKHPEWFLRDENGNPTRKVPDWSDVVDFDYSNGELREYMINMMRYWVEEFDVDGFRCDVAGLVPLDFWLQARKNLDPVKRLIWISETHDPYMYQAFDITYDYDGYYRFRDFIEGKNSLREYIDFLRMQDHMYPRGYIKMRFLENHDQPRVAKFLSRESLMHWIAFLFTVKGVPLVHNGQEYALKEDLDIFNEYTLPIPGEENEIFSLHRKLAHYRYKTNVFSNGEMIFIRNDQPERVISYLWRHGNRFILCVLNPLLENTSVTLDFSGIWENICIHSKNVFNDDIVRVSVKNSRAKIKVGREPLILSFVLY,O.O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,1.5314789170422551,,,s_c2ee9fcdf9a067adb2bd36a5,test
catpreddb_kcat_kcat_4c740404006ff3,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,OCC(Cl)CCl,OCC(Cl)CCl,OCC(Cl)CCl>>Cl.ClCC1CO1,public_strict_iteration1_fulltrue_msa,0.0,-0.0861861476162832,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_4c8bc60fbeb19e,catpred_iteration1_kcat,kcat,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,CC1=CC(=O)c2ccccc2C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC1=CC(=O)c2ccccc2C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC1=CC(=O)c2ccccc2C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-2.036212172654445,,,s_2764a837703abb2f4c81a0d2,test
catpreddb_kcat_kcat_4c90892816cb02,catpred_iteration1_kcat,kcat,P56937,P56937,MRKVVLITGASSGIGLALCKRLLAEDDELHLCLACRNMSKAEAVCAALLASHPTAEVTIVQVDVSNLQSVFRASKELKQRFQRLDCIYLNAGIMPNPQLNIKALFFGLFSRKVIHMFSTAEGLLTQGDKITADGLQEVFETNVFGHFILIRELEPLLCHSDNPSQLIWTSSRSARKSNFSLEDFQHSKGKEPYSSSKYATDLLSVALNRNFNQQGLYSNVACPGTALTNLTYGILPPFIWTLLMPAILLLRFFANAFTLTPYNGTEALVWLFHQKPESLNPLIKYLSATTGFGRNYIMTQKMDLDEDTAEKFYQKLLELEKHIRVTIQKTDNQARLSGSCL,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.815308569182401,,,s_20d8b766c0a6b2c809342f00,test
catpreddb_kcat_kcat_4ca7ae38f7fa2e,catpred_iteration1_kcat,kcat,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CN(C)c1ccc(N)cc1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ccccc1C(=O)O,public_strict_iteration1_fulltrue_msa,1.7715874808812555,,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_kcat_kcat_4cc65bef722182,catpred_iteration1_kcat,kcat,A8CF75,A8CF75,MDDNRIRSILVLGGGTAGWMSACYLSKALGPGVEVTVLEAPSISRIRVGEATIPNLHKVFFDFLGIAEDEWMRECNASYKAAVRFVNWRTPGDGQATPRRRPDGRPDHFDHLFGQLPEHENLPLSQYWAHRRLNGLTDEPFDRSCYVQPELLDRKLSPRLMDGTKLASYAWHFDADLVADFLCRFAVQKLNVTHVQDVFTHADLDQRGHITAVNTESGRTLAADLFIDCSGFRSVLMGKVMQEPFLDMSKHLLNDRAVALMLPHDDEKVGIEPYTSSLAMRSGWSWKIPLLGRFGSGYVYSSQFTSQDEAAEELCRMWDVDPAEQTFNNVRFRVGRSRRAWVRNCVAIGVSAMFVEPLESTGLYFSYASLYQLVKHFPDKRFRPILADRFNREVATMYDDTRDFLQAHFSLSPRDDSEFWRACKELPFADGFAEKVEMYRAGLPVELPVTIDDGHYYGNFEAEFRNFWTNSNYYCIFAGLGFLPEHPLPVLEFRPEAVDRAEPVFAAVRRRTEELVATAPTMQAYLRRLHQGT,Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=O.[Cl-],Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=O.[Cl-],Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=O.[Cl-]>>Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C.N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O.O,public_strict_iteration1_fulltrue_msa,-2.494850021680094,,,s_f4c790e7db1bc2c27610f0c9,test
catpreddb_kcat_kcat_4cdac1b10c34e0,catpred_iteration1_kcat,kcat,Q8DQ16,Q8DQ16,MKIGIIAAMPEELAYLVQHLDNTQEQVVLGNTYHTGTIASHEVVLVESGIGKVMSAMSVAILADHFQVDALINTGSAGAVAEGIAVGDVVIADKLAYHDVDVTAFGYAYGQMAQQPLYFESDKTFVAQIQESLSQLDQNWHLGLIATGDSFVAGNDKIEAIKSHFPEVLAVEMEGAAIAQAAHTLNLPVLVIRAMSDNANHEANIFFDEFIIEAGRRSAQVLLAFLKALD,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O>>CSC[C@H]1OC(O)[C@H](O)[C@@H]1O.Nc1nc[nH]c2ncnc1-2,public_strict_iteration1_fulltrue_msa,-0.6020599913279624,,,s_c7b28f8ba09847a017ee5c8c,test
catpreddb_kcat_kcat_4cf08e04ee3f59,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,O,O,O>>CC(C)CC(N)C(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(C)C(O)=NC(CCCNC(=N)N)C(=O)O,public_strict_iteration1_fulltrue_msa,0.4313637641589873,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_4d0f678d908e41,catpred_iteration1_kcat,kcat,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>O=C(CO)COP(=O)(O)O.O=C[C@H](O)CO,public_strict_iteration1_fulltrue_msa,-0.2006594505464183,1.0203604535653936,,s_c914da2418e4f7c204592eba,test
catpreddb_kcat_kcat_4d13144ebfa6b4,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C(O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C(O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C(O)Cc1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.9493900066449128,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_4d131d88e3619b,catpred_iteration1_kcat,kcat,A0A168S2H6,A0A168S2H6,MTLSSVPLATSDIQIPEGARRNSTLICVPIMADSVDQMLGQIRKAKEVGGDLVEIRLDYLKNFSPRQDLQFLVKQSPLPTLVTYRPTWEGGQYDGDEGKRLDALRLAIELGADYIDVELQVAPEFINSIQGKTSGKVKIIVSSHNYQNTPSAEELGNLVARIQATGADIVKIATTALDITDCARIFQVLAHSQVPTIGIAMAERGLISRILSAKFGSYLTFGSLEAGVVSAPGQPTVKDLLDLYNFRQIGPDTKVHGVIGKPIGHSKSPHLYNSAFKSVGFNGIYLPLLVDSVKNFLATYSSPDFVGYSYTIPHKEDGLRCCDEIDPIAQAIGAISCMIRRPADGKLMGYNVDYLGAIAAIEEGLRASNGTTSVGSPLAGKLFVVIGAGGAGKALAYGGKEKGARVVVANRTFEKAKELASKVGGEAMTLAELENFHPEDGMILANTTSVGMKPNIDNTPLSKKALSRYSLVFDAIYTPKLTRLLREAQESGAIIVYGTEMFINQAFVQFERFTGLPAPKELIREVLVRNT,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1.[H+],public_strict_iteration1_fulltrue_msa,1.4169731726030363,,,s_df020c31aa268a93cfbe76f2,test
catpreddb_kcat_kcat_4d156a39424381,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1C=CC=CC1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1C=CC=CC1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1C=CC=CC1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C=CC=CC1O.[H],public_strict_iteration1_fulltrue_msa,3.0569048513364727,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_4d1f2c8b2d8c6c,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.3096301674258988,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_4d5b2d3a14746f,catpred_iteration1_kcat,kcat,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12.O>>CC(C)C[C@H](N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,2.2984163800612945,,,s_9cc6c1623917d877b3099a50,test
catpreddb_kcat_kcat_4d61d8016b4784,catpred_iteration1_kcat,kcat,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.O,COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.O,COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.O>>CO.C[C@@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.8000293592441343,,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_kcat_kcat_4def1e8e3c4e24,catpred_iteration1_kcat,kcat,P9WHK7,P9WHK7,MRKHPQTATKHLFVSGGVASSLGKGLTASSLGQLLTARGLHVTMQKLDPYLNVDPGTMNPFQHGEVFVTEDGAETDLDVGHYERFLDRNLPGSANVTTGQVYSTVIAKERRGEYLGDTVQVIPHITDEIKRRILAMAQPDADGNRPDVVITEIGGTVGDIESQPFLEAARQVRHYLGREDVFFLHVSLVPYLAPSGELKTKPTQHSVAALRSIGITPDALILRCDRDVPEALKNKIALMCDVDIDGVISTPDAPSIYDIPKVLHREELDAFVVRRLNLPFRDVDWTEWDDLLRRVHEPHETVRIALVGKYVELSDAYLSVAEALRAGGFKHRAKVEICWVASDGCETTSGAAAALGDVHGVLIPGGFGIRGIEGKIGAIAYARARGLPVLGLCLGLQCIVIEAARSVGLTNANSAEFDPDTPDPVIATMPDQEEIVAGEADLGGTMRLGSYPAVLEPDSVVAQAYQTTQVSERHRHRYEVNNAYRDKIAESGLRFSGTSPDGHLVEFVEYPPDRHPFVVGTQAHPELKSRPTRPHPLFVAFVGAAIDYKAGELLPVEIPEIPEHTPNGSSHRDGVGQPLPEPASRG,NC(=O)CCC(N)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,NC(=O)CCC(N)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,NC(=O)CCC(N)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>NC(CCC(=O)O)C(=O)O.Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.359835482339888,,,s_e0ed7aff493d7c51494ea2e7,test
catpreddb_kcat_kcat_4e01d39b8523ef,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,C/C(=C/C=C\C(=O)[O-])C(=O)[O-],C/C(=C/C=C\C(=O)[O-])C(=O)[O-],C/C(=C/C=C\C(=O)[O-])C(=O)[O-]>>CC1=CC(CC(=O)O)OC1=O,public_strict_iteration1_fulltrue_msa,5.450249108319361,-0.3098039199714864,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_4e146c3f2b1cc2,catpred_iteration1_kcat,kcat,F0S8P2,F0S8P2,MKIKSLLIILLLFPILSIGKGKSSLSGADFNNLNLDYPGLEKVKSLVANKKYDDAAKTLLAYYKQRSIKHPDYNIQDRAKFFGKPISKDNQEKADKGLEHLFFVHKGYGFIDYGKDINWQHWPIKDNEIRWQLHRTYWWVPMGLAYWSSGDEKYAKEWTFQYLDWIKKNPLGLSKENDRFAWRALEVATRVQDQTAMFNMFISSPYFTPEFLMAFLNNYNKHADYILNNYSDKGNHLLFEAQRMIYAGAFFPEFKDAPAWRKSGIEILNTEIKKQIYADGMQFELSPNYHTAAINIFLKALRMTQLANLDNEFPQSFKNTIEEMIMAQVNFSFPDYTYPMFSDAKLETKESMLKNYKDWLKVFPSNKVIQYYATEGKKGETPKFLSHALKNGGFYTFRNSWKDTATVMVLKASPPAFWHSQPDNGTFDLWVKGRNFMPDAGAYVYGGDEEILKLRNWYRQTRVHKTLTLNNENIDTCDAKLVRWETSDTLDLLVYKNPSYKGLDHYRTVVFVNKKYFIIFDSAVGTTTGNVGIHFQLKEDNEPLYNMKENSVATTYKDGNNLIIRNFNIGQAKFVKEEGKVSYSYRQEAARPAFAFEQDKKDTKDINFTTILYPFNGNQAPKLDFKEEIGNNPQEGKINFSLFIDGKKQTIKHQF,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]3[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]4[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]9[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%10[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%11[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%12[C@H](O)C(S(N)(=O)=O)[C@@H](O)O[C@@H]%12COS(=O)(=O)O)O[C@@H]%11COS(=O)(=O)O)O[C@@H]%10COS(=O)(=O)O)O[C@@H]9COS(=O)(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@H]6C(=O)O)O[C@H]5C(=O)O)O[C@H]4C(=O)O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]3[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]4[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]9[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%10[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%11[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%12[C@H](O)C(S(N)(=O)=O)[C@@H](O)O[C@@H]%12COS(=O)(=O)O)O[C@@H]%11COS(=O)(=O)O)O[C@@H]%10COS(=O)(=O)O)O[C@@H]9COS(=O)(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@H]6C(=O)O)O[C@H]5C(=O)O)O[C@H]4C(=O)O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]3[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]4[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]9[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%10[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%11[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%12[C@H](O)C(S(N)(=O)=O)[C@@H](O)O[C@@H]%12COS(=O)(=O)O)O[C@@H]%11COS(=O)(=O)O)O[C@@H]%10COS(=O)(=O)O)O[C@@H]9COS(=O)(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@H]6C(=O)O)O[C@H]5C(=O)O)O[C@H]4C(=O)O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O>>O=C(O)[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]2COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.9493900066449128,,,s_0952af0de0e841f479a2d8bd,test
catpreddb_kcat_kcat_4e1f82a616566f,catpred_iteration1_kcat,kcat,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,3.401400540781544,,,s_1f9dafe578e10e0347c193ca,test
catpreddb_kcat_kcat_4e3496f293cf4b,catpred_iteration1_kcat,kcat,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CCCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>CCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_5f171a39f788d95d16fb2f10,test
catpreddb_kcat_kcat_4e39e9057ac804,catpred_iteration1_kcat,kcat,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1.O,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1.O,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1.O>>CCCCO.C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.6201360549737576,,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_kcat_kcat_4e3fd3e0f9b77b,catpred_iteration1_kcat,kcat,Q9Y5Y6,Q9Y5Y6,MGSDRARKGGGGPKDFGAGLKYNSRHEKVNGLEEGVEFLPVNNVKKVEKHGPGRWVVLAAVLIGLLLVLLGIGFLVWHLQYRDVRVQKVFNGYMRITNENFVDAYENSNSTEFVSLASKVKDALKLLYSGVPFLGPYHKESAVTAFSEGSVIAYYWSEFSIPQHLVEEAERVMAEERVVMLPPRARSLKSFVVTSVVAFPTDSKTVQRTQDNSCSFGLHARGVELMRFTTPGFPDSPYPAHARCQWALRGDADSVLSLTFRSFDLASCDERGSDLVTVYNTLSPMEPHALVQLCGTYPPSYNLTFHSSQNVLLITLITNTERRHPGFEATFFQLPRMSSCGGRLRKAQGTFNSPYYPGHYPPNIDCTWNIEVPNNQHVKVRFKFFYLLEPGVPAGTCPKDYVEINGEKYCGERSQFVVTSNSNKITVRFHSDQSYTDTGFLAEYLSYDSSDPCPGQFTCRTGRCIRKELRCDGWADCTDHSDELNCSCDAGHQFTCKNKFCKPLFWVCDSVNDCGDNSDEQGCSCPAQTFRCSNGKCLSKSQQCNGKDDCGDGSDEASCPKVNVVTCTKHTYRCLNGLCLSKGNPECDGKEDCSDGSDEKDCDCGLRSFTRQARVVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPICLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV,CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,public_strict_iteration1_fulltrue_msa,5.5910646070265,,,s_b263b22b3360761991316e48,test
catpreddb_kcat_kcat_4e40a5c055f158,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,O=C(O)CCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,O=C(O)CCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,O=C(O)CCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,0.4313637641589873,1.0413926851582251,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_4e61c6cee81595,catpred_iteration1_kcat,kcat,P53582,P53582,MAAVETRVCETDGCSSEAKLQCPTCIKLGIQGSYFCSQECFKGSWATHKLLHKKAKDEKAKREVSSWTVEGDINTDPWAGYRYTGKLRPHYPLMPTRPVPSYIQRPDYADHPLGMSESEQALKGTSQIKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARPHFMSQF,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CSCC[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-1.316052869248488,,,s_87fcc95bdef2ef3411c967e4,test
catpreddb_kcat_kcat_4eb50f1e94f730,catpred_iteration1_kcat,kcat,P71447,P71447,MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLEKMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSYYTLEFLKEVWLQKQK,O,O,O>>O=P(O)(O)O.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.5257837359237447,,,s_a76484e5b19a83bd01990ff4,test
catpreddb_kcat_kcat_4ed6fc66218b28,catpred_iteration1_kcat,kcat,Q9KQ59,Q9KQ59,MFKSQTAILPEAGPFALYTLLKVRQNHAHVLQALKALPALVEEINQNQPGAELTVSVAFSKGFWSHFEMASPPELIDFPELGEGETHAPSTDVDVLIHCHATRHDLLFYTLRKGISDIAQDIEIVDETYGFRYLDARDMTGFIDGTENPKAEKRAEVALVADGDFAGGSYVMVQRFVHNLPAWNRLNLAAQEKVIGRTKPDSVELENVPAASHVGRVDIKEEGKGLKIVRHSLPYGSVSGDHGLLFIAYCHTLHNFKTMLESMYGVTDGKTDQLLRFTKAVTGAYFFAPSQVMLQELTLKNQ,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.OO>>O,public_strict_iteration1_fulltrue_msa,2.6989700043360187,,,s_3cbca65e461c0a174ffca49a,test
catpreddb_kcat_kcat_4ed722305a9506,catpred_iteration1_kcat,kcat,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCC(O)CC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCC(O)CC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCC(O)CC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CCCCCC(O)CC(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.3115801779972894,,,s_7c84c2d6fea9905641654dda,test
catpreddb_kcat_kcat_4edc2c7ef28fa5,catpred_iteration1_kcat,kcat,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.57978359661681,,,s_27015adbfee76024dda17db7,test
catpreddb_kcat_kcat_4eeca48cf17bb4,catpred_iteration1_kcat,kcat,C4LWC7,C4LWC7,MVFVIGITGRICSGKSTLSKTLIKRKIPVIDCDKLGHELYQKGSIVYNDFIKLFGKEVVGVDGSIDRKKLSELVFSNPQNVKIISDLTWPAIYTLLQERIKVLEKEGHPIVGVEAALLIRANWSIVNVIWETRIDEAETIKRLKTRNGLSEEQAKKRIQSQPTQEEYDNKSQVQINTMGTIEETATLINKEVDKLLEQLKITLN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.0177287669604316,,,s_1c265de126553ecec4f9f7ff,test
catpreddb_kcat_kcat_4f09bb1696ca63,catpred_iteration1_kcat,kcat,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O.O=C(O)/C=C(/CCCCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCCCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCCCC(=O)O)C(=O)O>>O=C(O)CCCC[C@H](C(=O)O)[C@@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.3979400086720376,,,s_d45e89fa98a913150cf54b5f,test
catpreddb_kcat_kcat_4f12a51e174993,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.5686362358410126,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_4f157ba990b569,catpred_iteration1_kcat,kcat,A0A075BSX9,A0A075BSX9,MTEKIYDAIVVGAGFSGLVAARELSAQGRSVLIIEARHRLGGRTHVVNFLGRPVEIGGAGVHWCQPHVFAEMQRYGFGFKEAPLADLDKAYMVFADGQKIDVPPATFDEEYTTAFEKFCSRSRELFPRPYSPLDNHEVSNLDGVSARDHLESLGLNELQLASMNAELTLYGGAPTTELSYPSFVKFHALASWDTITFTDSEKRYHVQGGTNALCQAIFDDCRADSEFGVPVEAVAQTDNGVTVTLADKRVFRALTCVLTLPTKVYADVRFEPPLPPEKRAFIEHAEMADGAELYVHVRQNLGNTFTFCDDPNPFNAVQTYAYDDELGTILKITIGRQSLINLENFDAIAAEIRKIHGDVEVLEALPYNWAMDEYARTSYPAMRKGWFSRYKDMAKPENRLFFAGSATADGWHEYIDGAIESGIRVGREIRHFMKATA,CN1CCC[C@H]1c1ccc(O)nc1.O.O=O,CN1CCC[C@H]1c1ccc(O)nc1.O.O=O,CN1CCC[C@H]1c1ccc(O)nc1.O.O=O>>CNCCCC(=O)c1ccc(O)nc1.OO,public_strict_iteration1_fulltrue_msa,1.4116197059632305,,,s_f559454f7a41afe33325e9b9,test
catpreddb_kcat_kcat_4f19464fac4434,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-2.0,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_4f2be94f523c02,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.0,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_4f57ae1d8751ed,catpred_iteration1_kcat,kcat,Q9S5E2,Q9S5E2,MTTKQICFADRCFNFAFGEHVLESVESYIPRDEFDQYIMISDSGVPDSIVHYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVAVGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGKNLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTEDDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGHAIELAEQGGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGALQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQTLLTPVRKTLIKEVIREGL,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.0,-0.7016224296065977,,s_f75b223c631ef9d7f0451dd3,test
catpreddb_kcat_kcat_4f6b0e6212aab9,catpred_iteration1_kcat,kcat,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.1674910872937636,,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_kcat_kcat_4f8f6f5bc19b76,catpred_iteration1_kcat,kcat,Q8GW43,Q8GW43,MADHSWDKTVEEAVNVLESRQILRSLRPICMSRQNEEEIVKSRANGGDGYEVFDGLCQWDRTSVEVSVSIPTFQKWLHDEPSNGEEIFSGDALAECRKGRFKKLLLFSGNDYLGLSSHPTISNAAANAVKEYGMGPKGSALICGYTTYHRLLESSLAQLKKKEDCLVCPTGFAANMAAMVAIGSVASLLAASGKPLKNEKVAIFSDALNHASIIDGVRLAERQGNVEVFVYRHCDMYHLNSLLSNCKMKRKVVVTDSLFSMDGDFAPMEELSQLRKKYGFLLVIDDAHGTFVCGENGGGVAEEFNCEADVDLCVGTLSKAAGCHGGFIACSKKWKQLIQSRGRSFIFSTAIPVPMAAAAYAAVVVARKEIWRRKAIWERVKEFKELSGVDISSPIISLVVGNQEKALKASRYLLKSGFHVMAIRPPTVPPNSCRLRVTLSAAHTTEDVKKLITALSSCLDFDNTATHIPSFLFPKL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O.C[C@@H](N)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O.C[C@@H](N)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O.C[C@@H](N)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(N)C(=O)CCCCCC(=O)O.O=C=O,public_strict_iteration1_fulltrue_msa,-1.0,,,s_d50b2275aed2d155d2bcd75f,test
catpreddb_kcat_kcat_4f91513b775e44,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,0.0899051114393979,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_4f9ce92a0cba9b,catpred_iteration1_kcat,kcat,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>NCCCC[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.958607314841775,,,s_0c3e58e911f51068e88986ab,test
catpreddb_kcat_kcat_4ff2a2e672a911,catpred_iteration1_kcat,kcat,F7IX06,F7IX06,MSVTTPRRETSLLSRALRATAAAATAVVATVALAAPAQAANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVEEYRSTCPF,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.5158738437116791,,,s_e806085a30d0427b3ece1df8,test
catpreddb_kcat_kcat_50088e12c25a4c,catpred_iteration1_kcat,kcat,Q6XZ78,Q6XZ78,MAPLGDGGAAAAAASNNLVVSFGEMLIDFVPDVAGLSLAESGGFVKAPGGAPANVACAIAKLGGSSAFVGKFGDDEFGHMLVNILKQNNVNAEGCLFDKHARTALAFVTLKHDGEREFMFYRNPSADMLLTEAELDLGLVRRARVFHYGSISLISEPCRSAHMAAMRAAKAAGVLCSYDPNVRLPLWPSPDAAREGILSIWKEADFIKVSDDEVAFLTRGDANDEKNVLSLWFDGLKLLVVTDGDKGCRYFTKDFKGSVPGFKVDTVDTTGAGDAFVGSLLVNVAKDDSIFHNEEKLREALKFSNACGAICTTKKGAIPALPTVATAQDLIAKAN,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.693726948923647,,,s_636d56adb3089dc7f190aa93,test
catpreddb_kcat_kcat_5022810f09b449,catpred_iteration1_kcat,kcat,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O,N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O,N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=[N+]([O-])O.[H],public_strict_iteration1_fulltrue_msa,2.462397997898956,,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_kcat_kcat_502517b4324f91,catpred_iteration1_kcat,kcat,Q5BLZ6,Q5BLZ6,MLKEAVYHRPTDQFAYAYDDKTLHIRLRTKKSDVHAVSLLHGDPYCWEDRQWQFTKTEMTKSGSDALFDYWWVAISPPYRRLRYGFELVSGNERCVYTEKGFFHEAPIDDIAYYFCFPFLNRIDVFHAPTWVKDTVWYQIFPERFANGDPSLNPKGTIPWGSADPTPTSFFGGDFAGIMERLDYLVELGINGIYFTPIFKASSNHKYDTIDYFEIDPQFGDKPTFKRLVERCHQKGIRVMLDAVFNHSGHFFAPFQDVLKHGEKSKYKDWFHIHEFPLQTEPLPNYDTFAFVPTMPKLNTENQEVKQYLLDVATYWIREFDIDGWRLDVANEVDHQFWREFRQAVKAVKQDVYILGEIWHDAMPWLRGDQFDAVMNYPFTNGVLRYFAKSEMKASEFAHSITNVLHSYPNNVNEVAFHLLGSHDTPRILTECGENKEKVKLMFTFQFSFTGTPCIYYGDEIGLTGGQDPLCRKCMVWEEEKQDLELFAHVQKLISLRRKYRSLSRGELHFLETNDETNHLVYTKTYEQETVIFLLNNSNRKLDITLPLSVKRKKLTDLWTNKQFVSEENEWTVTLAPYGFLMFLVE,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](OC[C@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9CO)O[C@@H]8CO)[C@H](O)[C@@H](O)[C@@H]7O)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](OC[C@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9CO)O[C@@H]8CO)[C@H](O)[C@@H](O)[C@@H]7O)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](OC[C@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9CO)O[C@@H]8CO)[C@H](O)[C@@H](O)[C@@H]7O)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.5563025007672873,,,s_dd5d216cdf90f90ee5b636e1,test
catpreddb_kcat_kcat_502b48c29ae4a2,catpred_iteration1_kcat,kcat,Q66CJ2,Q66CJ2,MKYIKLTVLAGIFVGISSPVFALPNITLLATGGTIAGGGDSATKSNYTAGKLGVDALVEAVPAIKDIANIQGEQVVNIGSQDMNDDVWLTLAKKINKDCTKTDGFVITHGTDTLEETAYFLDLTVNCDKPVVIVGAMRPATALGADGPLNLYNAVVVASEADSAKRGVLVAMNDMVFTGRDVVKTNTTSVQTFQSPNTGPLGYIYDGKVNYLHQPAARQPAFDISKLNTLPKVGIIYNYANASDIPAKALIADGYQGIVSAGVGNGNLYHTVFDTLATAASHGVAVVRSSRVPSGSTTEGAEIDDAKYGFVAAGALNPQKARVLLQLALTQTQKPQEIQKLFHTY,N=C(O)C[C@H](N)C(=O)O.O,N=C(O)C[C@H](N)C(=O)O.O,N=C(O)C[C@H](N)C(=O)O.O>>N.N[C@@H](CC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.6575773191777937,,,s_e071e954647dfd6841979df3,test
catpreddb_kcat_kcat_50430201d571b9,catpred_iteration1_kcat,kcat,A0A067YIW8,A0A067YIW8,MAIPDEFDIIVVGGGSTGCCIAGRLGNLDPNVTVALIEGGENNLNNPWVYLPGVYPRNMRLDSKTATFYEARPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWESEGWTTDELMPLIRKLETYQRPCNNRELHGFDGPIKVSFGNYTYPTCQDFLRACESQGIPYVDDLEDFKTSHGAEHWLKWINRDLGRRSDTAHAYIHPTMRNKQNLFLITSTKCDKVIIEDGKAVAVKTVAMKPVNTKKCHGRTYKARKQIVVSCGTISSPLVLQRSGIGAAHHLRSVGIKPIVDLPGVGENFQDHYCFFTPYYVKPGVPTFDDFVRGDPVAQKSAFDQWYSNKDGPLTTNGIEAGVKIRPTEEELATADEDFRAGYADYFENKPDKPLMHYSVISGYFGDHTKIPNGKFMTMFHFLEYPFSRGFVRVTSANPYDAPDFDTGFLNDERDLWPMVWAYKKSRETARRMESFAGEVTSHHPLFKVDSPARAKDLDLETCNAFAGPNHLTANLYHGSWTVPIEKPSGKNTQHVSSNQVEIFSDIEYSAEDDEAIVNYIKEHTETTWHCLGTCSMAPREGSKIAPKGGVVDCRLNVHGVQNLKVADLSICPDNVGCNTYSTALTIGEKCATLVAEDLGYSGSDLDMTIPNFKLGTYEETGLARF,CCCO.O=O,CCCO.O=O,CCCO.O=O>>CCC=O.OO,public_strict_iteration1_fulltrue_msa,1.972341716325748,,,s_fd3ef2f6ad3f9712e85b68df,test
catpreddb_kcat_kcat_5063d75ede5966,catpred_iteration1_kcat,kcat,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,COc1cc(C(=O)O)cc(OC)c1[O-].O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(C(=O)O)cc(OC)c1[O-].O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(C(=O)O)cc(OC)c1[O-].O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_a6bfd646457ffec3f91681c4,test
catpreddb_kcat_kcat_506fe9b730384a,catpred_iteration1_kcat,kcat,Q3HW12,Q3HW12,IESQVATVWINRAELHNAFNTQVIEELNHCFTTLNANDDVRVVVLASRGKSFSAGADLNWMKQAGQASKVENEEDALKLAKMLQSLATLKQPTIARVHGIAFGGGMGLASACDICVASTDAKFATSEVRLGLAPSTISPYVIRAIGARQASRYFLTAERISAEQAKHIGLVHEVCQPEQLDATVLEIIDAILLGGPEAQAASKSLIRLVDHQEVTEDLLIQTAQHIAHVRQGDEAKNGLTAFLNKQSPAWIQAEQ,C/C(=C\C(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C(=C\C(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,C/C(=C\C(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@@](C)(O)CC(=O)O,public_strict_iteration1_fulltrue_msa,2.1398790864012365,,,s_bf45c254801263e51a6f4c04,test
catpreddb_kcat_kcat_50b78fdd2a1cc1,catpred_iteration1_kcat,kcat,Q1GSG1,Q1GSG1,MASQVETLIRSAVVKTIGKVADFNRRRLPRPTDAHPFLSGIHRPMTEELTIEALRVDGEIPAALRGRYLRNGPNPAMPPDPASYHWFIGAGMVHGIRIEGGQAVWYRNRWVRGSEACAALGEELPPGPREERNDAPNTNVVGLAGRTFAIVEAGGTPVELDHELGTIAHNPFDGTLAGAFTAHPHADPFTGETHAITYRSDEPNKVWHVVLDEQAHVVREEPIAVSDGPSIHDCALTENYVLVFDLPVTFSMKRLLAGYRFPYMWNENHPARVGLLPREGRGDDIVWVPVDPCYVFHPANAFETADGRVIVDVVAHETMFATSKRGPDSEKSRMERWTIDPVARTTTRTVIHDHAQEFPRYDERLTTRPYRYVYSIAIPDGRSAEWALADTRLFRHDLETGTTAIHDFGSGRHPGEFVFVPRKAAGAEDDGWLIGLVVDMNDETTDLVILNADDFTGPPQAVVHLPHRVPPGFHGNWVAD,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1.O=O,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1.O=O,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1.O=O>>CC(=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,public_strict_iteration1_fulltrue_msa,0.6901960800285137,,,s_50d0718f3ba851d9e6a35d29,test
catpreddb_kcat_kcat_50cd30ab4ac3a9,catpred_iteration1_kcat,kcat,M9Z1G5,M9Z1G5,MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMTMLDGGKERTKQQFEDLAKQAGFTVFKIVARAYYCWVIELYK,COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(O)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.220108088040055,,,s_7d63982e25dfe2080c9a3604,test
catpreddb_kcat_kcat_50f7cc0a20125a,catpred_iteration1_kcat,kcat,P65456,P65456,MAQEVIKIRGGRTLNGEVNISGAKNSAVAIIPATLLAQGHVKLEGLPQISDVKTLVSLLEDLNIKASLNGTELEVDTTEIQNAALPNNKVESLRASYYMMGAMLGRFKKCVIGLPGGCPLGPRPIDQHIKGFKALGAEIDESSTTSMKIEAKELKGAHIFLDMVSVGATINIMLAAVYATGQTVIENAAKEPEVVDVANFLTSMGANIKGAGTSTIKINGVKELHGSEYQVIPDRIEAGTYMCIAAACGENVILNNIVPKHVETLTAKFSELGVNVDVRDERIRINNNAPYQFVDIKTLVYPGFATDLQQPITPLLFMANGPSFVTDTIYPERFKHVEELKRMGANIEVDEGTATIKPSTLHGAEVYASDLRAGACLIIAGLIAEGVTTIYNVKHIYRGYTDIVEHLKALGADIWTETV,C=C(OP(=O)(O)O)C(=O)O.CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O,C=C(OP(=O)(O)O)C(=O)O.CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O,C=C(OP(=O)(O)O)C(=O)O.CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O>>C=C(OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O)C(=O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.1191864077192086,,,s_610a922d93b1efeac0ae1953,test
catpreddb_kcat_kcat_5114d6561d26ef,catpred_iteration1_kcat,kcat,J7JYU5,J7JYU5,MAQKEQITFYTHFYSPYCDRVHLALEEVKADYTVYTVDVMNKPKWYTEQINPVGKIPAITYGGPKVKPEEPSPESCKLRESLVILEFLADLFPEAGLLPTDPVLRAKARLFASDVDAHVFEGFKAYFFMREPASKLLDALDRFQQQLPARGFAVGDKWTLADMAAAPFLVRTYLLLEHDLGVYPAGEGPKTLALLRGERFARLNQYLADLRAQPSFKATWDEAAQVAIWKSNPMFKRE,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>Cl.N[C@@H](CCC(O)=N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.3180633349627615,,,s_acc8279b1cb8e7e619605320,test
catpreddb_kcat_kcat_511f7514773cc9,catpred_iteration1_kcat,kcat,Q5JRX3,Q5JRX3,MWRCGGRQGLCVLRRLSGGHAHHRAWRWNSNRACERALQYKLGDKIHGFTVNQVTSVPELFLTAVKLTHDDTGARYLHLAREDTNNLFSVQFRTTPMDSTGVPHILEHTVLCGSQKYPCRDPFFKMLNRSLSTFMNAFTASDYTLYPFSTQNPKDFQNLLSVYLDATFFPCLRELDFWQEGWRLEHENPSDPQTPLVFKGVVFNEMKGAFTDNERIFSQHLQNRLLPDHTYSVVSGGDPLCIPELTWEQLKQFHATHYHPSNARFFTYGNFPLEQHLKQIHEEALSKFQKIEPSTVVPAQTPWDKPREFQITCGPDSFATDPSKQTTISVSFLLPDITDTFEAFTLSLLSSLLTSGPNSPFYKALIESGLGTDFSPDVGYNGYTREAYFSVGLQGIAEKDIETVRSLIDRTIDEVVEKGFEDDRIEALLHKIEIQMKHQSTSFGLMLTSYIASCWNHDGDPVELLKLGNQLAKFRQCLQENPKFLQEKVKQYFKNNQHKLYEKGLELRSQQSKPQDASCLPALKVSDIEPTIPVTELDVVLTAGDIPVQYCAQPTNGMVYFRAFSSLNTLPEELRPYVPLFCSVLTKLGCGLLDYREQAQQIELKTGGMSASPHVLPDDSHMDTYEQGVLFSSLCLDRNLPDMMQLWSEIFNNPCFEEEEHFKVLVKMTAQELANGIPDSGHLYASIRAGRTLTPAGDLQETFSGMDQVRLMKRIAEMTDIKPILRKLPRIKKHLLNGDNMRCSVNATPQQMPQTEKAVEDFLRSIGRSKKERRPVRPHTVEKPVPSSSGGDAHVPHGSQVIRKLVMEPTFKPWQMKTHFLMPFPVNYVGECIRTVPYTDPDHASLKILARLMTAKFLHTEIREKGGAYGGGAKLSHNGIFTLYSYRDPNTIETLQSFGKAVDWAKSGKFTQQDIDEAKLSVFSTVDAPVAPSDKGMDHFLYGLSDEMKQAHREQLFAVSHDKLLAVSDRYLGTGKSTHGLAILGPENPKIAKDPSWIIQ,COc1ccc2c(CC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1.O,COc1ccc2c(CC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1.O,COc1ccc2c(CC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1.O>>,public_strict_iteration1_fulltrue_msa,0.8750612633917001,,,s_5f2a570f769667ffa4881e4c,test
catpreddb_kcat_kcat_513d27e64c56a7,catpred_iteration1_kcat,kcat,P12851,P12851,MSVQATREDKFSFGLWTVGWQARDAFGDATRTALDPVEAVHKLAEIGAYGITFHDDDLVPFGSDAQTRDGIIAGFKKALDETGLIVPMVTTNLFTHPVFKDGGFTSNDRSVRRYAIRKVLRQMDLGAELGAKTLVLWGGREGAEYDSAKDVSAALDRYREALNLLAQYSEDRGYGLRFAIEPKPNEPRGDILLPTAGHAIAFVQELERPELFGINPETGHEQMSNLNFTQGIAQALWHKKLFHIDLNGQHGPKFDQDLVFGHGDLLNAFSLVDLLENGPDGAPAYDGPRHFDYKPSRTEDYDGVWESAKANIRMYLLLKERAKAFRADPEVQEALAASKVAELKTPTLNPGEGYAELLADRSAFEDYDADAVGAKGFGFVKLNQLAIEHLLGAR,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>OCC1OC(O)(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.403120521175818,3.278753600952829,,s_5edc77e1f8c52732ee9e8352,test
catpreddb_kcat_kcat_514220e95251d4,catpred_iteration1_kcat,kcat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public_strict_iteration1_fulltrue_msa,0.9777236052888478,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_514510588b6c0c,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-3.136677139879544,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_5147476a2e5c28,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O.O,CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O.O,CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O.O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.0644579892269186,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_51676454c0bd03,catpred_iteration1_kcat,kcat,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O>>,public_strict_iteration1_fulltrue_msa,1.6504046698680317,,,s_55a74685ac62fb5c184ff381,test
catpreddb_kcat_kcat_519b9ff9e73a88,catpred_iteration1_kcat,kcat,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,Cc1ncc(CO)c(C=O)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],Cc1ncc(CO)c(C=O)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],Cc1ncc(CO)c(C=O)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>Cc1ncc(CO)c(CO)c1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,3.527114111639805,,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_kcat_kcat_51ab81d695ff55,catpred_iteration1_kcat,kcat,Q8TGI8,Q8TGI8,MRNGLLKVAALAAASAVNGENLAYSPPFYPSPWANGQGDWAEAYQKAVQFVSQLTLAEKVNLTTGTGWEQDRCVGQVGSIPRLGFPGLCMQDSPLGVRDTDYNSAFPAGVNVAATWDRNLAYRRGVAMGEEHRGKGVDVQLGPVAGPLGRSPDAGRNWEGFAPDPVLTGNMMASTIQGIQDAGVIACAKHFILYEQEHFRQGAQDGYDISDSISANADDKTMHELYLWPFADAVRAGVGSVMCSYNQVNNSYACSNSYTMNKLLKSELGFQGFVMTDWGGHHSGVGSALAGLDMSMPGDIAFDSGTSFWGTNLTVAVLNGSIPEWRVDDMAVRIMSAYYKVGRDRYSVPINFDSWTLDTYGPEHYAVGQGQTKINEHVDVRGNHAEIIHEIGAASAVLLKNKGGLPLTGTERFVGVFGKDAGSNPWGVNGCSDRGCDNGTLAMGWGSGTANFPYLVTPEQAIQREVLSRNGTFTGITDNGALAEMAAAASQADTCLVFANADSGEGYITVDGNEGDRKNLTLWQGADQVIHNVSANCNNTVVVLHTVGPVLIDDWYDHPNVTAILWAGLPGQESGNSLVDVLYGRVNPGKTPFTWGRARDDYGAPLIVKPNNGKGAPQQDFTEGIFIDYRRFDKYNITPIYEFGFGLSYTTFEFSQLNVQPINAPPYTPASGFTKAAQSFGQPSNASDNLYPSDIERVPLYIYPWLNSTDLKASANDPDYGLPTEKYVPPNATNGDPQPIDPAGGAPGGNPSLYEPVARVTTIITNTGKVTGDEVPQLYVSLGGPDDAPKVLRGFDRITLAPGQQYLWTTTLTRRDISNWDPVTQNWVVTNYTKTIYVGNSSRNLPLQAPLKPYPGI,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,3.347525159998689,,,s_75ed30970c46263bfbfb163d,test
catpreddb_kcat_kcat_51c68fe1f875c2,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2ccccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc(O)c2ccccc2c1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.2695129442179165,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_51f919a1a487c7,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,O.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1,O.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1,O.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1>>Nc1ccc([N+](=O)[O-])cc1.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,1.3649260337899756,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_521ce41cf676c8,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O.O>>,public_strict_iteration1_fulltrue_msa,1.7596678446896306,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_5228fb766fc928,catpred_iteration1_kcat,kcat,P9WGR1,P9WGR1,MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL,CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.5563025007672873,,,s_d9241b63fbac3c7e22a88593,test
catpreddb_kcat_kcat_522ea2cbf12269,catpred_iteration1_kcat,kcat,Q9C7W7,Q9C7W7,MVGNILVTGGAGYIGSHTVLQLLLGGYNTVVIDNLDNSSLVSIQRVKDLAGDHGQNLTVHQVDLRDKPALEKVFSETKFDAVMHFAGLKAVGESVAKPLLYYNNNLIATITLLEVMAAHGCKKLVFSSSATVYGWPKEVPCTEESPLSGMSPYGRTKLFIEDICRDVQRGDPEWRIIMLRYFNPVGAHPSGRIGEDPCGTPNNLMPYVQQVVVGRLPNLKIYGTDYTTKDGTGVRDYIHVVDLADGHICALQKLDDTEIGCEVYNLGTGKGTTVLEMVDAFEKASGMKIPLVKVGRRPGDAETVYASTEKAERELNWKANFGIEEMCRDQWNWASNNPFGYGSSPNST,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.4471580313422192,-0.2518119729937995,,s_49464158cb91bbf7812b299a,test
catpreddb_kcat_kcat_523ef68bbbb412,catpred_iteration1_kcat,kcat,P93882,P93882,SVGFKAGVKDYKLTYYTPDYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVAGEESQFIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPTAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEAIYKAQAETGEIKGHYLNATAGTCEEMIKRAVFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHAGTVVGKLEGEREITLGFVDLLRDDFVEKDRSRGIYFTQDWVSLPGVLPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAREGNQIIREASKWSPELAAACEVWKE,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)[C@H](C(=O)O)C(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,0.6599162000698503,,,s_5723a83d1ad2206abc02e49d,test
catpreddb_kcat_kcat_5257560cbd6dda,catpred_iteration1_kcat,kcat,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N=C(O)C[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,N=C(O)C[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,N=C(O)C[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N=C(O)CC(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.6575773191777937,,,s_23a07e04da444562badc1284,test
catpreddb_kcat_kcat_525ccbeb9e803a,catpred_iteration1_kcat,kcat,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_528f38e44b861b,catpred_iteration1_kcat,kcat,Q5TCS8,Q5TCS8,MTSQEKTEEYPFADIFDEDETERNFLLSKPVCFVVFGKPGVGKTTLARYITQAWKCIRVEALPILEEQIAAETESGVMLQSMLISGQSIPDELVIKLMLEKLNSPEVCHFGYIITEIPSLSQDAMTTLQQIELIKNLNLKPDVIINIKCPDYDLCQRISGQRQHNNTGYIYSRDQWDPEVIENHRKKKKEAQKDGKGEEEEEEEEQEEEEAFIAEMQMVAEILHHLVQRPEDYLENVENIVKLYKETILQTLEEVMAEHNPQYLIELNGNKPAEELFMIVMDRLKYLNLKRAAILTKLQGAEEEINDTMENDELFRTLASYKLIAPRYRWQRSKWGRTCPVNLKDGNIYSGLPDYSVSFLGKIYCLSSEEALKPFLLNPRPYLLPPMPGPPCKVFILGPQYSGKTTLCNMLAENYKGKVVDYAQLVQPRFDKARETLVENTIAEATAAAIKVVKEKLLRELQARKQAETALREFQRQYEKMEFGVFPMEATHSSIDEEGYIRIIIVGPPKSGKTTVAKKITSEYGLKHLSIGGALRYVLNNHPETELALMLNWHLHKGMTAPDELAIQALELSLMESVCNTAGVVIDGYPVTKHQMNLLEARSIIPMVIFELSVPSKEIFKRLLLEKENEQRLPYPLHNSAQIVAVNNVKYRKNIGEIRQYYQEQHQNWYVIDGFHSKWWVWNEVIKNVQMVNKYMQTYLERIKAGKAACIDKLCITPQELLSRLGEFEQFCPVSLAESQELFDCSATDSLEFAAEFRGHYYKMSSQEKLNKFLENPELYVPPLAPHPLPSADMIPKRLTLSELKSRFPKCAELQGYCPVTYKDGNQRYEALVPGSINYALEYHNRIYICENKEKLQKFLRSPLKYWEQKLPHKLPPLREPILLTSLPLPGYLEQGIATSLIKAMNAAGCLKPKFPFLSIRRSALLYIALHLKAFNPKGSEYTRKKYKKKMEQFMESCELITYLGAKMTRKYKEPQFRAIDFDHKLKTFLSLRNIDPING,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,2.6989700043360187,,,s_5769cc0d347788c6f3637827,test
catpreddb_kcat_kcat_52aa6a2e10d031,catpred_iteration1_kcat,kcat,Q99538,Q99538,MVWKVAVFLSVALGIGAVPIDDPEDGGKHWVVIVAGSNGWYNYRHQADACHAYQIIHRNGIPDEQIVVMMYDDIAYSEDNPTPGIVINRPNGTDVYQGVPKDYTGEDVTPQNFLAVLRGDAEAVKGIGSGKVLKSGPQDHVFIYFTDHGSTGILVFPNEDLHVKDLNETIHYMYKHKMYRKMVFYIEACESGSMMNHLPDNINVYATTAANPRESSYACYYDEKRSTYLGDWYSVNWMEDSDVEDLTKETLHKQYHLVKSHTNTSHVMQYGNKTISTMKVMQFQGMKRKASSPVPLPPVTHLDLTPSPDVPLTIMKRKLMNTNDLEESRQLTEEIQRHLDARHLIEKSVRKIVSLLAASEAEVEQLLSERAPLTGHSCYPEALLHFRTHCFNWHSPTYEYALRHLYVLVNLCEKPYPLHRIKLSMDHVCLGHY,O,O,O>>Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,0.6020599913279624,,,s_7bfacd22313d7f3098c682ba,test
catpreddb_kcat_kcat_52c536e04bc763,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CCC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.O,CCC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.O,CCC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.O>>CCC[C@H](N=C(O)[C@H](C)N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)O)cc(=O)oc2c1,public_strict_iteration1_fulltrue_msa,-0.1191864077192086,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_52c85cc4f78c2c,catpred_iteration1_kcat,kcat,O66548,O66548,MKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(O)C1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_029fee419a480a1fbf8f2568,test
catpreddb_kcat_kcat_52cadd02866dd3,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CC(C)CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(C)CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(C)CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CC(C)CC(O)C(=O)[O-].N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.591064607026499,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_52f3c579d2da6a,catpred_iteration1_kcat,kcat,Q70EZ6,Q70EZ6,MAAKQGEVVRPDADYSYHPSLWGDQFLHYDEQEDDQVEVDQQIEILKEETRREILSSLDDPAKHTNLLKLIDVIQRLGIAYYFEHEITQALDHIYNVYGDEWNGGSTSLWFRLLRQQGFYVSCDIFNIYKLDNGSFKDSLTKDIECMLELYEAAYMRVQGEIILDEALEFTKTHLEQIAKDPLRCNNTLSRHIYEALKRPIRKRLPRVDALQYMPFYEQQDSHNKSLLRLAKLGFNRLQSLHKKELSQLSKWWKEFDAPKNLRYVRDRLVELYFWVLGVYFEPQYSRSRIFLTKVIKMATILDDTYDIHGTYEELEIFTKAVQRWSITCMDTLPDYMKMIYKSLLDVYEEMEEIIEKDGKAYQVHYAKDSMIDLVTSYMTEAKWLHEGHVPTFEEYNSITNLTGGYKMLTTSSFVDMPGDIVTQESFRWALNNPPLIKASADVSRIMDDIVGHKEEQQRKHLPSRVEMYMKKYHLAEEDVYDLLKQRVEDAWKDLNRETLTCKDIHMALKMRPINLARVIDMLYKNDDNLKNVGQEIQDYIKSCFINAISV,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C1/C=C/[C@H](C(C)C)CC/C(C)=C\CC1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.3979400086720375,-1.479481396066486,,s_711c293063843c36110ea2ac,test
catpreddb_kcat_kcat_5304964b180b44,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OC1COC(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OC1COC(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OC1COC(O)C1O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)C(O)CO,public_strict_iteration1_fulltrue_msa,0.3654879848908996,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_534d6d511c472b,catpred_iteration1_kcat,kcat,H9GF95,H9GF95,MQEGTFFYSSKSGGSFGKTMETSNNHGPKQLPFTLKRFHISEEYGFILPNPLQELPPFYGPWMEIARQLPDLIEDHELRSCVDKMPLLSSQYLQGYRELVLAHLVLSSITMGYVWQEGEKGVAKILPRNLAIPFWEISQTLGVPPILLHMDFILVNWKKKDPYGNLDPIVHLPGGEASRGFMLISFLVENAAAPGIKAVAQAINGLLLFDNNMLEEALRELTNTFKAMMTTLKKIHDHVDPAVFYGVTRIFFSGWKDSPVLPDGLIYEGVSEKPLLYSGGSAAQSTTLHAFDELLGIQHCKESTAFLQRMREYMPRDHRAFIEEMQSLPPLRCHVVSCGSAVLRSAYNECVAALSELRTYHLTVVTKYVIIASHKAKGKPSAPGSVHTLSFLDETGTGGSRIASFLKSTRDAARKAVIMS,NC(CC(=O)c1ccccc1NC=O)C(=O)O.O=O,NC(CC(=O)c1ccccc1NC=O)C(=O)O.O=O,NC(CC(=O)c1ccccc1NC=O)C(=O)O.O=O>>NC(CC(=O)c1ccccc1NC=O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.7558748556724915,,,s_960b2740d413fdeaac828f5c,test
catpreddb_kcat_kcat_53b59d48177b4f,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O=[N+]([O-])c1ccccc1OC1OC[C@@H](O)[C@H](O)[C@H]1O,O.O=[N+]([O-])c1ccccc1OC1OC[C@@H](O)[C@H](O)[C@H]1O,O.O=[N+]([O-])c1ccccc1OC1OC[C@@H](O)[C@H](O)[C@H]1O>>O=[N+]([O-])c1ccccc1O.OC1OC[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.9822712330395684,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_53ba1e62f220f2,catpred_iteration1_kcat,kcat,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO>>O=C(O)C(O)C(O)C(O)C(O)CO.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.0,,,s_05faba509306d0ae6d9f3eea,test
catpreddb_kcat_kcat_53c023d1b40931,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,C=COC(=O)CC.O,C=COC(=O)CC.O,C=COC(=O)CC.O>>*CC(*)O.CCC(=O)O,public_strict_iteration1_fulltrue_msa,2.3010299956639813,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_53ed045d0404e1,catpred_iteration1_kcat,kcat,B8I944,B8I944,MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINELKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLDVHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLEVLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRTAGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMGGTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECHKHS,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,1.7331972651065697,,,s_fdd4fe1170624f6293cad7e3,test
catpreddb_kcat_kcat_53f0837dd91c7d,catpred_iteration1_kcat,kcat,Q5BLZ6,Q5BLZ6,MLKEAVYHRPTDQFAYAYDDKTLHIRLRTKKSDVHAVSLLHGDPYCWEDRQWQFTKTEMTKSGSDALFDYWWVAISPPYRRLRYGFELVSGNERCVYTEKGFFHEAPIDDIAYYFCFPFLNRIDVFHAPTWVKDTVWYQIFPERFANGDPSLNPKGTIPWGSADPTPTSFFGGDFAGIMERLDYLVELGINGIYFTPIFKASSNHKYDTIDYFEIDPQFGDKPTFKRLVERCHQKGIRVMLDAVFNHSGHFFAPFQDVLKHGEKSKYKDWFHIHEFPLQTEPLPNYDTFAFVPTMPKLNTENQEVKQYLLDVATYWIREFDIDGWRLDVANEVDHQFWREFRQAVKAVKQDVYILGEIWHDAMPWLRGDQFDAVMNYPFTNGVLRYFAKSEMKASEFAHSITNVLHSYPNNVNEVAFHLLGSHDTPRILTECGENKEKVKLMFTFQFSFTGTPCIYYGDEIGLTGGQDPLCRKCMVWEEEKQDLELFAHVQKLISLRRKYRSLSRGELHFLETNDETNHLVYTKTYEQETVIFLLNNSNRKLDITLPLSVKRKKLTDLWTNKQFVSEENEWTVTLAPYGFLMFLVE,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.7363965022766426,,,s_dd5d216cdf90f90ee5b636e1,test
catpreddb_kcat_kcat_5414c0803b5e04,catpred_iteration1_kcat,kcat,A0QY29,A0QY29,MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVVPDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAMYTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFHPAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADRPESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAALWRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVPAALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIEIDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGYGF,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCc1cnc[nH]1,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCc1cnc[nH]1,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCc1cnc[nH]1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(O)=NCCc1cnc[nH]1,public_strict_iteration1_fulltrue_msa,0.4313637641589873,,,s_c98fff9ef9ca8eb344a3f0c8,test
catpreddb_kcat_kcat_5414d4ce0abbe4,catpred_iteration1_kcat,kcat,S5TMG0,S5TMG0,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPCQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKVADP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CCCc1ccc(O)cc1.[H+],public_strict_iteration1_fulltrue_msa,-1.0087739243075051,,,s_08cbf502c176a7783bac2948,test
catpreddb_kcat_kcat_544aecef73e7a2,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1O[C@](O)(CO)[C@@H](O)[C@@H]1O.[H+],public_strict_iteration1_fulltrue_msa,2.0806264869218056,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_54675d2405bf27,catpred_iteration1_kcat,kcat,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)COP(=O)(O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)COP(=O)(O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)COP(=O)(O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H],public_strict_iteration1_fulltrue_msa,-0.2596373105057561,,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_kcat_kcat_547bb9320a8f7f,catpred_iteration1_kcat,kcat,Q9WYX9,Q9WYX9,MNILVTGGAGFIGSHVVDKLIENGYGVIVVDNLSSGKVENLNRNALFYEQSIEDEEMMERIFSLHRPEYVFHLAAQASVAISVREPARDAKTNIIGSLVLLEKSIKYGVKKFIFSSTGGAIYGENVKVFPTPETEIPHPISPYGIAKYSTEMYLEFFAREYGLKYTVLRYANVYGPRQDPYGEAGVVAIFTERMLRGEEVHIFGDGEYVRDYVYVDDVVRANLLAMEKGDNEVFNIGTGRGTTVNQLFKLLKEITGYDKEPVYKPPRKGDVRKSILDYTKAKEKLGWEPKVSLEEGLKLTVEYFRKTLE,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,4.583142073859932,0.2619094495626607,,s_0b4bddf78d15da0e3e880812,test
catpreddb_kcat_kcat_548b4253d1f41c,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,3.003029470553618,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_54a9d3b0336d83,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.7686381012476144,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_54b4c3ba23fd40,catpred_iteration1_kcat,kcat,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,COC(=O)/C=C/c1ccc(O)c(O)c1.O,COC(=O)/C=C/c1ccc(O)c(O)c1.O,COC(=O)/C=C/c1ccc(O)c(O)c1.O>>CO.O=C(O)/C=C/c1ccc(O)c(O)c1,public_strict_iteration1_fulltrue_msa,0.2787536009528289,,,s_9e06a86c4d466395e96365e4,test
catpreddb_kcat_kcat_54c53f7445c8fb,catpred_iteration1_kcat,kcat,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.298197867109815,,,s_6054a43023a3df240062cbaf,test
catpreddb_kcat_kcat_54ec19031ec692,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)Cc1cccc(O)c1,public_strict_iteration1_fulltrue_msa,0.3222192947339193,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_54f1639032800a,catpred_iteration1_kcat,kcat,Q5I6B5,Q5I6B5,MEKIEVSIISRDTIKPSAASSSLHPYKLSIIDQFTPTTYFPVIFFYPITDRVFNLPQTLTDLKNTVSQALTLYHPLSGRIKNNLYIDDFEAGIPYLEARVNFHMIDFLRLPKIEWLNEFVPMAPYRKETISEFLPLLGIQVNIFDSGIAIGVSFSHKINDGQTASCFLKSWVAIFRGYRNKIIHPNLSQAALLLPSRDDLPEKYVAMMERMWFGEKKVVTRRFVFDAKAISALQDEGKSEYVPKPSRVQALTGFLWKHQLAASRALSSGTSTRFSVASQTVNLRSKMNMKTTLDNAIGNIFLWASARLDLNDTAPGSSDLKLCDLVNLLNESIKEFNSDYLEILKGKEGYGGMCDLLDFMEEGSFVEPAPEFYSFSSWTRFFDQVDFGWGRPSWVGFSGRVETRNFTIFVETQCDDGIDAWVTVDEKQMAMLEQDPQFLAFASPNPRISIASSVGMD,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OCc1ccccc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OCc1ccccc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OCc1ccccc1>>CC(=O)OCc1ccccc1.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,public_strict_iteration1_fulltrue_msa,-0.9244530386074692,,,s_c7bbaddd8533855138d88c4c,test
catpreddb_kcat_kcat_54f9f1f140511a,catpred_iteration1_kcat,kcat,A9W9U6,A9W9U6,MLLLRITMLEGRSTEQKAELARALSAAAAAAFDVPLAEVRLIIQEVPPTHWTVGGISMAELRQQASTSTQGQ,O=C(O)/C=C/C=C(\O)C(=O)O,O=C(O)/C=C/C=C(\O)C(=O)O,O=C(O)/C=C/C=C(\O)C(=O)O>>O=C(O)C/C=C/C(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,3.4771212547196626,-1.154901959985743,,s_ccf8357b7a237359ce53d9a4,test
catpreddb_kcat_kcat_5526732318e1ea,catpred_iteration1_kcat,kcat,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,3.146128035678238,,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_kcat_kcat_5556eae70e4719,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCCCN.O.O=O,CCCCN.O.O=O,CCCCN.O.O=O>>CCCC=O.N.OO,public_strict_iteration1_fulltrue_msa,0.8000293592441343,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_55724bd19cf7d1,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_5582aa51100948,catpred_iteration1_kcat,kcat,F9FRH4,F9FRH4,MVALLIFLGIFTCVETLPLSDSPSSYIPEEVPSSQTADIGLPPPTEFTLPNEDDEILIRKLNIQKTRKEILYGPSLIGKTSFFISGPLGDQISQRDQTLWSRDAAPVVQAVSHDAAAALHDIQIHGGLQNLDDYKILYQGHWSSSVPGGIAKGQFSNFTSDLLFSMERLSTNPYILRRLHPHADELPFAVDSKIVQKLTGSTLPSLHKAGRLFLADHSYQKDYVAQEGRYAAACQALFYLDDRCHQFLPLAIKTNVGSNLTYTPLDEPNDWLLAKVMFNVNDLFHGQMYHLASTHAVAEIVHLAALRTMSSRHPVLALLQRLMYQAYAIRPIGNNILFNPGGLIDQNSVFSNVAVRKFATDFYPTVAGPVRSNYFEANLRSRGLLNATHGPDLPHFPFYEDGARIIKVIRTFIQSFVKSIYKSDKVLAKDWELQAWIAEANGAAEVIDFPPTPLKKRKHLVDILTHMAWLTGVSHHVLNQGEPVTTSGVLPLHPGSLYAPVPGEKGVVDSLLPWLPNEQKSVDQISFLALFNRPQIVENNRTLRYMFNSESLLAGTVRAVAAANERFMEEMGHISQEISNRKFDDDGLSQGMPFIWTGMDPGVIPFYLSV,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,1.5976951859255124,,,s_0442306892007a90f6d96c43,test
catpreddb_kcat_kcat_55ab8eddffc43c,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(O)=NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(O)=NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(O)=NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(O)=NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.3767507096020995,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_5625a2488c3a3c,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CC[C@@H](O)C4)[C@H]3CC[C@@]21C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.040602340114073,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_562f16e5abab98,catpred_iteration1_kcat,kcat,Q9KWR0,Q9KWR0,MSAIRVGIVGYGNLGRGVEFAISQNPDMELVAVFTRRDPSTVSVASNASVYLVDDAEKFQDDIDVMILCGGSATDLPEQGPHFAQWFNTIDSFDTHAKIPEFFDAVDAAAQKSGKVSVISVGWDPGLFSLNRVLGEAVLPVGTTYTFWGDGLSQGHSDAVRRIEGVKNAVQYTLPIKDAVERVRNGENPELTTREKHARECWVVLEEGADAPKVEQEIVTMPNYFDEYNTTVNFISEDEFNANHTGMPHGGFVIRSGESGANDKQILEFSLKLESNPNFTSSVLVAYARAAHRLSQAGEKGAKTVFDIPFGLLSPKSAAQLRKELL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=N[C@H](C(=O)O)CCC1.[NH4+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=N[C@H](C(=O)O)CCC1.[NH4+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=N[C@H](C(=O)O)CCC1.[NH4+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@H](CCC[C@H](N)C(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.7091851295502454,,,s_68da8d735af24f5f6ba0cee8,test
catpreddb_kcat_kcat_5639d3f9e11f2c,catpred_iteration1_kcat,kcat,Q3M985,Q3M985,MVIISRSSALPFPQGGAKTQRKKFDELFVAGGSLREAIACAGEVLIDCFATQGKPYSGRSPQELSRTIADIAVCPDEGVGLRQVLAEVGEKIIKHSVVVTHPTCMAHLHCPPLLPAVAAEVLISGTNQSLDSWDQSPAATVLEQQVVNWLCASFGYDAGADGIFTSGGTQSNFMGLLLARDAYAHRQLNWCVQQQGLPPEAQRFRILCSQVAHFTISQAASLLGLGQQAVVAVETDSDYQLCAADVEQKLEQLQQQDLLPIALVATAGTTDFGSIDKLPELAACAEKYGLWFHVDAAFGGALVMSDRHRDKLDGIALADSITVDFHKLFYQPISCGAFLVKQHQNFDLIKLHADYLNPETNEIASIPDLVTKSIQTTKRFDALKLFVSLRTLGRRQFADMIDTTIELAKETANLIDAEPALELANNPTINAVVFRYLPSETPAHLDSTTWANQINSHIRMSLLQQGIAVIAQTKIGQLTYLKFTLLNPQTAIADIQEVLNSITTIGEKHLFHPQESQEGLSL,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O>>NCCCCCN.O=C=O,public_strict_iteration1_fulltrue_msa,-2.096910013008056,-0.5228787452803376,,s_c51f800e701e9ea0396bc442,test
catpreddb_kcat_kcat_56668a6457ca78,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O>>OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.6989700043360187,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_56bde30c3d162c,catpred_iteration1_kcat,kcat,Q84G06,Q84G06,MTKNQALRAALDSGRLFTAMAAHNPLVAKLAEQAGFGGIWGSGFELSASYAVPDANILSMSTHLEMMRAIASTVSIPLIADIDTGFGNAVNVHYVVPQYEAAGASAIVMEDKTFPKDTSLRTDGRQELVRIEEFQGKIAAATAARADRDFVVIARVEALIAGLGQQEAVRRGQAYEEAGADAILIHSRQKTPDEILAFVKSWPGKVPLVLVPTAYPQLTEADIAALSKVGIVIYGNHAIRAAVGAVREVFARIRRDGGIREVDAALPSVKEIIELQGDERMRAVEARYLK,O.O=C(O)C(=O)CP(=O)(O)O,O.O=C(O)C(=O)CP(=O)(O)O,O.O=C(O)C(=O)CP(=O)(O)O>>CC(=O)C(=O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.0211892990699383,,,s_ab0d84db60ceb3c15f046f24,test
catpreddb_kcat_kcat_56e4e893cacbe3,catpred_iteration1_kcat,kcat,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1nc(O)c2nc[nH]c2n1,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1nc(O)c2nc[nH]c2n1,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1nc(O)c2nc[nH]c2n1>>O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.4623979978989561,,,s_819c9375ca8203a769c0057f,test
catpreddb_kcat_kcat_5700cc4453649f,catpred_iteration1_kcat,kcat,P39829,P39829,MANIEIRQETPTAFYIKVHDTDNVAIIVNDNGLKAGTRFPDGLELIEHIPQGHKVALLDIPANGEIIRYGEVIGYAVRAIPRGSWIDESMVVLPEAPPLHTLPLATKVPEPLPPLEGYTFEGYRNADGSVGTKNLLGITTSVHCVAGVVDYVVKIIERDLLPKYPNVDGVVGLNHLYGCGVAINAPAAVVPIRTIHNISLNPNFGGEVMVIGLGCEKLQPERLLTGTDDVQAIPVESASIVSLQDEKHVGFQSMVEDILQIAERHLQKLNQRQRETCPASELVVGMQCGGSDAFSGVTANPAVGYASDLLVRCGATVMFSEVTEVRDAIHLLTPRAVNEEVGKRLLEEMEWYDNYLNMGKTDRSANPSPGNKKGGLANVVEKALGSIAKSGKSAIVEVLSPGQRPTKRGLIYAATPASDFVCGTQQVASGITVQVFTTGRGTPYGLMAVPVIKMATRTELANRWFDLMDINAGTIATGEETIEEVGWKLFHFILDVASGKKKTFSDQWGLHNQLAVFNPAPVT,O=C(O)C(O)C(O)C(O)C(O)C(=O)O,O=C(O)C(O)C(O)C(O)C(O)C(=O)O,O=C(O)C(O)C(O)C(O)C(O)C(=O)O>>O.O=C(O)C(=O)CC(O)C(O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.3424226808222062,-0.0969100130080563,,s_72fb9809f9f9d04b962b08d6,test
catpreddb_kcat_kcat_5700e8f05574d3,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O.O.O=C(O)c1cc(=O)c2ccccc2[nH]1,public_strict_iteration1_fulltrue_msa,-0.494850021680094,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_57119d701b9fc6,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2>>O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.1023729087095586,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_571bb81635411c,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,O,O,O>>,public_strict_iteration1_fulltrue_msa,2.05307844348342,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_5745255b6030e2,catpred_iteration1_kcat,kcat,Q9VSL2,Q9VSL2,MSSGKHLAKGSPKPVLPDDGVLRLYSMRFCPYAQRAHLVLNAKNVPYHSVYINLTEKPEWLVEVSPLLKVPALQLVAEKGEPSLIESLIIAEYLDDKYPENPLLPKDPLKRAQDKILLERFSSITSAFINILVQGTGLEDYWTALDIFEEELTKRGTPYFGGNKPGFVDYMIWPWFERLSVIELKLQKEYNFNESRFPKITKWIALLKADSVVQSFYATPEQHNEFWRTRKAGNANYDLLA,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>Cl.NC(CCC(=O)NC(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-1.3010299956639813,,,s_016d785c1269382bd95d5143,test
catpreddb_kcat_kcat_57a8f77e8034d5,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.326335860928752,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_57bfc44237481d,catpred_iteration1_kcat,kcat,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1[N+](=O)[O-].[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])c1ccccc1CO,public_strict_iteration1_fulltrue_msa,3.3044905277734875,,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_kcat_kcat_5811bf75f116a8,catpred_iteration1_kcat,kcat,D4GWT7,D4GWT7,MSLVVLKLGGSVVTDKDEPETVDEAGLAAAADAVAPLAESRRVVVVHGGGSFGHHHAAEHGVSSESGSHDARGVRAIHDAMKRLNDAVLDALEERGVAALPVHPLSAGAREADGSLSLPLAATETMLDEGFVPVLHGDVISHAGKGATIVSGDDLVVSLASGLGADRVGLCSTVPGVLDADGDVIPEITAFADAADALGGSDSTDVTGGMAAKVRKLLALGAPAHVFGPEGLSAFVAGESPGTVIRGE,C=C(C)CCOP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C=C(C)CCOP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C=C(C)CCOP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C=C(C)CCOP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.212187604403958,,,s_7684f52edea29f95a52d623f,test
catpreddb_kcat_kcat_581f5a9effb4e0,catpred_iteration1_kcat,kcat,Q0E4W0,Q0E4W0,MSNSLEALKATGTVIVTDTGEFESIAKYKPQDATTNPSLILAVSKKPEYAALVDAAAKAATGANAKEKASNALDILLVEFGTKILEIVPGRVSTEVDARLSFDKDATIKKALHIIELYKQKGISKDRVLIKIASTWEGIQAAAELEAKHGIHCNLTLLFSFVQAVTAAEAKATLISPFVGRILDWYKKSTGKTYESSEDPGVHSVKSIYNYYKKFGYDTIVMGASFRNTGEIKELAGVDYLTVSPALLEELVNSTEAVPKKLEKSQATSLDLEKVSYINDEAKFRFELNEDQMATEKLSEGIRKFAADAVTMLEELEKRVA,O=C[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=C[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=C[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.6901960800285137,,,s_8e95f7f6a44a08f359304c13,test
catpreddb_kcat_kcat_582c14919f4d11,catpred_iteration1_kcat,kcat,C0LL35,C0LL35,MECENGQVASNGNGLCMATPRADPLNWGKAAEELMGSHLEEVKRMVAEYRQPVVKIEGASLRIAQVAAVAAGAGEAKVQLDDSARGRVKESSDWVMNSMMNGTDSYGVTTGFGATSHRRTKEGGALQRELIRFLNAGAFGTGSDGHVLAAEATRAAMLVRINTLLQGYSGIRFEILEAIAKLLNANVTPCLPLRGTITASGDLVPLSYIAGLVTGRENSVAVAPDGRKVNAAEAFKIAGIQGGFFELQPKEGLAMVNGTAVGSGLASTVLFEANILAILAEVLSAVFCEVMNGKPEYTDHLTHKLKHHPGQIEAAAIMEHILEGSSYMKLAKKLGELDPLMKPKQDRYALRTSPQWLGPQIEVIRAATKSIEREINSVNDNPLIDVSRGKALHGGNFQGTPIGVSMDNTRLAIAAVGKLMFAQFSELVNDFYNNGLPSNLSGGRNPSLDYGFKGAEIAMASYCSELQFLGNPVTNHVQSAEQHNQDVNSLGLISSRKTAEAIDILKIMSSTFLVALCQAIDLRHIEENVKSAVKSCVMTVAKKTLSTNSTGDLHVARFCEKDLLKEIDREAVFAYADDPCSPNYPLMKKMRNVLVERALANGMAEFNAETSVFAKVAQFEEELRATLPRAVEAARAAVENGTAATPNRITECRSYPLYRFVREELGTAYLTGEKTRSPGEELNKVLLAINQGKHIDPLLECLKEWNGEPLPIN,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O>>N.O=C(O)C=Cc1ccccc1,public_strict_iteration1_fulltrue_msa,1.205204363948145,-0.5411159987761218,,s_4e968ebdbb19f645e6fa425d,test
catpreddb_kcat_kcat_58407b1d0b9124,catpred_iteration1_kcat,kcat,O50215,O50215,MTLKKDMAVDIDSTNFRQAVALFATGIAVLSAETEEGDVHGMTVNSFTSISLDPPTVMVSLKSGRMHELLTQGGRFGVSLLGESQKVFSAFFSKRAMDDTPPPAFTIQAGLPTLQGAMAWFECEVESTVQVHDHTLFIARVSACGTPEANTPQPLLFFASRYHGNPLPLN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.7781512503836436,,,s_b28907c2bd04d1cb9aa313a2,test
catpreddb_kcat_kcat_58533efd3f5816,catpred_iteration1_kcat,kcat,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,Cn1ccnc1S.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],Cn1ccnc1S.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],Cn1ccnc1S.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>Cn1cc[nH]c1=S=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,-0.2798406965940431,,,s_709e219952fa967255321ee7,test
catpreddb_kcat_kcat_585e575e34183d,catpred_iteration1_kcat,kcat,C4LXC4,C4LXC4,MSFIFIPTVRTLHQAELVLNHKNTYLRVNSSHMEVPQLVEFIHQLVDKYPGQKIYVDLQGSKIRISRSQPNLILTKDQSVELTIKAPTKDTKAIHIGNPNTIKLLSQGTHVKIDDGRMEIVVNSIKDSETAIATVIKGGELKPGKGFNLQPHPFVQNQLSERDAEIVEKLKDVKEVCFALSFVCVVEEIQDLKKRSNGKYIVAKIEREMDLERLKAISSQCNEIWICRGDMGVQLGFVGMAKFVREYTTFMKQLNCPSIMAGEVMEHLCDNTIPTRSEICYLGNLIADGYNGIVLSDETVFGKYPQQTMDFCYDFVQQYLN,C=C(OP(=O)(O)O)C(=O)O.N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(O)n1,C=C(OP(=O)(O)O)C(=O)O.N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(O)n1,C=C(OP(=O)(O)O)C(=O)O.N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(O)n1>>CC(=O)C(=O)O.N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1,public_strict_iteration1_fulltrue_msa,0.9907826918031378,,,s_ba31fac01ab2e8eb6f4c0726,test
catpreddb_kcat_kcat_58a7e782e22c1f,catpred_iteration1_kcat,kcat,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,CC(=O)C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.0791812460476247,,,s_451a9f71732397357584e474,test
catpreddb_kcat_kcat_58b21dc50643e6,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(O)ccc1O.O,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(O)ccc1O.O,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(O)ccc1O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1cc(O)ccc1O,public_strict_iteration1_fulltrue_msa,-1.0969100130080565,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_58b6d590405b18,catpred_iteration1_kcat,kcat,P04798,P04798,MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,2.842609239610562,,,s_716474a92aa109ca90555f9e,test
catpreddb_kcat_kcat_58e40bdfd8476d,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCC1CCCCC1.O.O=O,NCC1CCCCC1.O.O=O,NCC1CCCCC1.O.O=O>>N.O=CC1CCCCC1.OO,public_strict_iteration1_fulltrue_msa,0.72916478969277,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_58ec4e03c2e1ae,catpred_iteration1_kcat,kcat,P71875,P71875,MSTDTSGVGVREIDAGALPTRYARGWHCLGVAKDYLEGKPHGVEAFGTKLVVFADSHGDLKVLDGYCRHMGGDLSEGTVKGDEVACPFHDWRWGGDGRCKLVPYARRTPRMARTRSWTTDVRSGLLFVWHDHEGNPPDPAVRIPEIPEAASDEWTDWRWNRILIEGSNCRDIIDNVTDMAHFFYIHFGLPTYFKNVFEGHIASQYLHNVGRPDVDDLGTSYGEAHLDSEASYFGPSFMINWLHNRYGNYKSESILINCHYPVTQNSFVLQWGVIVEKPKGMSEEMTDKLSRVFTEGVSKGFLQDVEIWKHKTRIDNPLLVEEDGAVYQLRRWYEQFYVDVADIKPEMVERFEIEVDTKRANEFWNAEVEKNLKSREVSDDVPAEQH,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,0.8450980400142568,,,s_17b685d1dec68eb1ef1f91ee,test
catpreddb_kcat_kcat_58fd2618c52fb2,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+]>>,public_strict_iteration1_fulltrue_msa,-1.6777807052660807,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_5918059788ccfc,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.055517327849831,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_59364e3e226d0c,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1.O,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1.O,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1.O>>N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.3565473235138126,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_595c5904538521,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1ccccc1,public_strict_iteration1_fulltrue_msa,0.2695129442179163,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_59869da341b100,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-1.1870866433571443,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_59932bc138c900,catpred_iteration1_kcat,kcat,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1.O>>,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_48d0e57876a633501632a01a,test
catpreddb_kcat_kcat_5999e1c87c5710,catpred_iteration1_kcat,kcat,Q17427,Q17427,MSHIFDASVLAPHIPSNLPDNFKVRPLAKDDFSKGYVDLLSQLTSVGNLDQEAFEKRFEAMRTSVPNYHIVVIEDSNSQKVVASASLVVEMKFIHGAGSRGRVEDVVVDTEMRRQKLGAVLLKTLVSLGKSLGVYKISLECVPELLPFYSQFGFQDDCNFMTQRF,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCC(O)=N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.133538908370217,,,s_8de33c8ccd395e59df5f3bd8,test
catpreddb_kcat_kcat_59c56b44e62155,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,Cc1ccc(O)c(O)c1.O=O,Cc1ccc(O)c(O)c1.O=O,Cc1ccc(O)c(O)c1.O=O>>CC1=CC(=O)C(=O)C=C1.O,public_strict_iteration1_fulltrue_msa,1.0791812460476249,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_59c6cb3f590206,catpred_iteration1_kcat,kcat,Q9UVQ5,Q9UVQ5,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSISTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O>>O,public_strict_iteration1_fulltrue_msa,5.033423755486949,,,s_7be56673c21fd425bdc26c98,test
catpreddb_kcat_kcat_5a2763ef89fa81,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.OCC1OC(O)C(O)C(O)C1O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.OCC1OC(O)C(O)C(O)C1O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.OCC1OC(O)C(O)C(O)C1O>>Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.0705810742857072,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_5a3abfeb1b2bf9,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.2365720064370629,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_5a3dbfc94574cc,catpred_iteration1_kcat,kcat,P09147,P09147,MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD,CC(O)=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CO)C(O)C1O,CC(O)=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CO)C(O)C1O,CC(O)=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CO)C(O)C1O>>CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.5228787452803374,,,s_4369495df3d7617c874a103e,test
catpreddb_kcat_kcat_5a46a4a7b8ae44,catpred_iteration1_kcat,kcat,G4NAP4,G4NAP4,MRVLVWIAGLAPLAVAVPSSSYRVAVAARADNTSASVAPSQNVSGAAPPELVVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPTEDALPFQVDRATVKQLTKTSLKALHAAGRLFVADHSYQRNYTRLANRYSAACTALFYLDPRSNQFLPLAIKTNVGADLTYTPLDTDNNNWLLAKIMFNNNDLFHGQIFHVAYPHAIAEIVHLAALRTMSARHPVLALMERLMYQAYAVRPLGERVLFNKGGLFEQNFAYPQDMVYKFVGDSYPTTGRWRAGYLDTDVRARGLVDADYGPELPHFPFYEDGSRLVEVIRRFVRSFVDATYHESDEMVAKDAELQAWVAEANGPAGVEDFEPGPLDTRERLVEVLTHMAWLTGCAHHVLNQGEPVTASGVLPMHPTALYAPVPTSKANTTADLLGYLPSAQKSVDQVTLLARFNRPDVVPTNQTLRYMFAAPQLLLGNGEAYRRANQRFVRAMGRISDEVKARRFDDRGLSQGMPFIWQALDPGNIPFYLSV,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.O=O,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.O=O,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.O=O>>CCCCCCCCCCCCCC=CC=CC=C(OO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.6434526764861874,,,s_10729ae42944f3da11c01607,test
catpreddb_kcat_kcat_5a5784cef830e0,catpred_iteration1_kcat,kcat,Q5XBL7,Q5XBL7,MSIISTDLTPFQIDDTLKAALREDVHSEDYSTNAIFDHHGQAKVSLFAKEAGVLAGLTVFQRVFTLFDAEVTFQNPHQFKDGDRLTSGDLVLEIIGSVRSLLTCERVALNFLQHLSGIASMTAAYVEALGDDRIKVFDTRKTTPNLRLFEKYAVRVGGGYNHRFNLSDAIMLKDNHIAAVGSVQKAIAQARAYAPFVKMVEVEVESLAAAEEAAAAGVDIIMLDNMSLEQIEQAITLIAGRSRIECSGNIDMTTISRFRGLAIDYVSSGSLTHSAKSLDFSMKGLTYLDV,O=C(O)c1cccnc1C(=O)O.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.[H+],O=C(O)c1cccnc1C(=O)O.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.[H+],O=C(O)c1cccnc1C(=O)O.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.[H+]>>O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1.O=C=O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.7781512503836436,,,s_656a7156624fb8cfe82f8376,test
catpreddb_kcat_kcat_5a8be399a56cea,catpred_iteration1_kcat,kcat,Q4A482,Q4A482,GGIAEMSGAEPDVRRITDRLDECGNSTKAFTKGFAVGSAALAGYLLFSSFMEEMSAQLPGKMEFRTVDLAKPEVFTAGLLGAAVVFLFASLAMTAVGRAAQQVVGEVRRQFREHPGIMSGTEKPEYERCVALVATAALRQMVLPGLLPVLAPILIGVVFREIGTLTAQPLLGLECAAGLLMVATITGVLMALFMNNAGGAWDNA,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.2659963704950794,,,s_f7bf6338fdd5f4f61e73f45a,test
catpreddb_kcat_kcat_5ac543c2c84b15,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12.O,Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12.O,Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12.O>>Cc1cc(=O)oc2cc(O)ccc12.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.6998377258672457,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_5aed41c93ea2d6,catpred_iteration1_kcat,kcat,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CO)C(=O)O.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CO)C(=O)O.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CO)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C(O)CCN[C@@H](CO)C(=O)O,public_strict_iteration1_fulltrue_msa,1.3736474722092178,,,s_60739e58ddb317a5c595f6fd,test
catpreddb_kcat_kcat_5af62ef3d10138,catpred_iteration1_kcat,kcat,A0A7I8I5R5,A0A7I8I5R5,MYDLIVIGAGSGGVRASRISAGHGAKVALIEPSLSHGPPNFSAVGGTCVNVGCVPKKLMVYGSHMSHDLHYAKSYGWHTPDHVAHDWGTLMANKDKEISRLNGVYINMLKNSGVDLIQGFGSFVDAHTVAIKADQAENPAGRTITGDKVLIATGSWPFVPDIPGKEYCVTSNEAFYLRECPKRIVIVGGGYIAVEFACIFKGYGADVTLMYRGEMFLRGFDDDIRRHLCTEMQELGVHVQLQTNPAKVEKKEDGTYEVTTEKGEVVAADLVMYATGRNPNVKALGLEAVGVELLPKNGAIKVDAYSRTTVDNIYAVGDVTDRINLTPVALHEGHCLADTLFGGKDRKPCHDLVAAAVFSQPPIGTVGLTTERAIQRHERVAVYKSTFRPMLHTMTGAATKALMKILVDVDTDKVLGVHMCGPDAAEIIQGIAIALKMGATKADFDATIGIHPSSAEEFVTMRSPAYYYVKGEKVEKLP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CCC(O)=N[C@H]1CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN=C(O)CN=C1O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CCC(O)=N[C@H]1CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN=C(O)CN=C1O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CCC(O)=N[C@H]1CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN=C(O)CN=C1O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(O)=NCCCCNCCCN=C(O)CN=C(O)[C@H](CS)N=C(O)CC[C@H](N)C(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.45178643552429,,,s_0c8b8c2eb2d3f1d4266374b8,test
catpreddb_kcat_kcat_5b5a131a5aceb1,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CN.O.O=O,CN.O.O=O,CN.O.O=O>>C=O.N.OO,public_strict_iteration1_fulltrue_msa,0.7481880270062004,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_5bb99a8a13b8ee,catpred_iteration1_kcat,kcat,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCCCCCCCC(=O)NCCO.O,CCCCCCCCCCCC(=O)NCCO.O,CCCCCCCCCCCC(=O)NCCO.O>>CCCCCCCCCCCC(=O)O.NCCO,public_strict_iteration1_fulltrue_msa,-0.585026652029182,,,s_d02e45ef02098b997a7f78aa,test
catpreddb_kcat_kcat_5bc3e70e748cbe,catpred_iteration1_kcat,kcat,A0A2N0UQI0,A0A2N0UQI0,MKKILSILLAGAMLAGCVLTGCSDSSSSKSDSSDGNTAKVADPIEGVKATASTDKYRNYYEIFVNSFCDSNGDETGDLQGIISQLDYLNDGDPNSGDDLGVDAIWLTPIMPSKSYHKYDVEDYYNIDPDFGTLDDFDKLIEECHKRGINVILDLVLNHASSKNPLFTKAVEEVADNKLDGNAEYFEIHKASYFDSDTQTISLGNGYACEANFSQEMPEWNLNSKKTREEFTKIAKFWLDRGVDGFRLDACKYFTNKETDGTEFLKWFYNTCKGIKEDVYMVGENWTDDSDIQELYKSGIDSQFAFKFSTSTGTIISNIISQGGMATAKKIMNYDNKMTESNPNAINAMFLSNHDQVRSGNALESQGLSSQKLAAAVYMLAPGNPFIYYGEEIGVKAPNTTNDAAYRTQMVFDSDNLPDIYVNGIGDEPEVPTGGGVKQQLADKDSLLNYYRRIITIKNQNPEIARGRIVGTQGFDDKAVGAYYVEYEDSKLLIIHNFSKNDAKELTITDDMIKNATLRADLIPESSSKHTELKDGKISVPPQSTVIIKSAE,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](OC[C@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9CO)O[C@@H]8CO)[C@H](O)[C@@H](O)[C@@H]7O)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](OC[C@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9CO)O[C@@H]8CO)[C@H](O)[C@@H](O)[C@@H]7O)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](OC[C@H]7O[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@H](O)O[C@@H]9CO)O[C@@H]8CO)[C@H](O)[C@@H](O)[C@@H]7O)O[C@@H]6CO)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.4727564493172123,,,s_e36ab01d5775e2329c8e4bdf,test
catpreddb_kcat_kcat_5bc9455644e405,catpred_iteration1_kcat,kcat,Q9MYU4,Q9MYU4,MEDRRESELKTFCSKNILVILGFSSIIAVIALLALGLTQNKPLPENVKFGIVLDAGSSHTSLYIYKWPAEKENDTGVVSQVEECKLKGPGISEFAKKLGEIDIYLEACMERARTVVPKSQHAETPVYLGATAGMRLLRMKNENLASKILSTVAESITRYPFDFQGARIITGQEEGAYGWITINYLLDKFIQKSGWFNLKPRKGDTQETYGALDLGGASTQITFVPQNQVLESPENTLHFRLYGKNYSVYTHSFLCYGKDQALLQKLTKDLKNTNGTIHEPCFHSGYQRRMNVSHLYEAPCTRRFLTSLPFPELEIQGTGDFQKCQQSIRPLFNTSYCPYSRCSFDGVFLPLPQGDFAAFSAFYYVMGFLNLTSEEGSFQSKVTSTLEAFCSRPWAELQMYFGDVKEKYLSEYCFSGTYILTLLLSGYHFTAETWKNIHFMGKVQSTSVGWTLGYMLNLTNMIPSEEPSSTRLSHSTYVFLMVLFSLILVIVVIIGLFVCHRPSYFWKDMV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.934498451243568,,,s_9a0e07b7012bc1cc9b27b550,test
catpreddb_kcat_kcat_5bc9d2f095bab5,catpred_iteration1_kcat,kcat,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.7315887651867388,,,s_b4fc93511b787a1abe84ae24,test
catpreddb_kcat_kcat_5be0155fde6271,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.0,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_5c1557c676f8e4,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.0705810742857072,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_5c315fb844fddc,catpred_iteration1_kcat,kcat,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,BrCCCBr.O,BrCCCBr.O,BrCCCBr.O>>OCCCBr.[Br-],public_strict_iteration1_fulltrue_msa,1.462397997898956,,,s_e220e6dd4311615191e3744b,test
catpreddb_kcat_kcat_5c368f6982b04b,catpred_iteration1_kcat,kcat,P21953,P21953,MAVVAAAAGWLLRLRAAGAEGHWRRLPGAGLARGFLHPAATVEDAAQRRQVAHFTFQPDPEPREYGQTQKMNLFQSVTSALDNSLAKDPTAVIFGEDVAFGGVFRCTVGLRDKYGKDRVFNTPLCEQGIVGFGIGIAVTGATAIAEIQFADYIFPAFDQIVNEAAKYRYRSGDLFNCGSLTIRSPWGCVGHGALYHSQSPEAFFAHCPGIKVVIPRSPFQAKGLLLSCIEDKNPCIFFEPKILYRAAAEEVPIEPYNIPLSQAEVIQEGSDVTLVAWGTQVHVIREVASMAKEKLGVSCEVIDLRTIIPWDVDTICKSVIKTGRLLISHEAPLTGGFASEISSTVQEECFLNLEAPISRVCGYDTPFPHIFEPFYIPDKWKCYDALRKMINY,CC(C)C(=O)C(=O)O.O,CC(C)C(=O)C(=O)O.O,CC(C)C(=O)C(=O)O.O>>CC(C)C(=O)O.O=C=O.[H],public_strict_iteration1_fulltrue_msa,2.8573324964312685,,,s_f5cb3b8e0e3b02ef901952cb,test
catpreddb_kcat_kcat_5c78a003813473,catpred_iteration1_kcat,kcat,Q5ALM0,Q5ALM0,MSVKKAGVLGATGSVGQRFILLLSKHPEFEIHALGASSRSAGKKYKDAASWKQTETLPETEQDIVVQECKPEGNFLECDVVFSGLDADVAGDIEKSFVEAGLAVVSNAKNYRREKDVPLVVPIVNPEHIDVVENKVKQAVSKGGKKPGFIICISNCSTAGLVAPLKPLVEKFGPIDALTTTTLQAISGAGFSPGVSGMDILDNIVPYISGEEDKLEWETKKILGGVNAEGTEFVPIPESEMKVSAQCNRVPVIDGHTECISLRFANRPAPSVEDVKQCLREYECAASKLGCHSAPKQTIHVLDQPDRPQPRLDRDRDSGYGVSVGRIREDSLLDFKMVVLSHNTIIGAAGAGILIAEILKAKNII,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CC=O)C(=O)O.O=P(O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CC=O)C(=O)O.O=P(O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CC=O)C(=O)O.O=P(O)(O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CC(=O)OP(=O)(O)O)C(=O)O.[H+],public_strict_iteration1_fulltrue_msa,-0.9208187539523752,,,s_6addf96ce62cae01385fdd88,test
catpreddb_kcat_kcat_5ca952e10c8a49,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O[C@@H]1CCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O[C@@H]1CCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O[C@@H]1CCc2ccccc21>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1CCc2ccccc21.[H],public_strict_iteration1_fulltrue_msa,2.9822712330395684,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_5caa4393e54024,catpred_iteration1_kcat,kcat,P0C0F4,P0C0F4,MKIAVAGSGYVGLSLGVLLSLQNEVTIVDILPSKVDKINNGLSPIQDEYIEYYLKSKQLSIKATLDSKAAYKEAELVIIATPTNYNSRINYFDTQHVETVIKEVLSVNSHATLIIKSTIPIGFITEMRQKFQTDRIIFSPEFLRESKALYDNLYPSRIIVSCEENDSPKVKADAEKFALLLKSAAKKNNVPVLIMGASEAEAVKLFANTYLALRVAYFNELDTYAESRKLNSHMIIQGISYDDRIGMHYNNPSFGYGGYCLPKDTKQLLANYNNIPQTLIEAIVSSNNVRKSYIAKQIINVLKEQESPVKVVGVYRLIMKSNSDNFRESAIKDVIDILKSKDIKIIIYEPMLNKLESEDQSVLVNDLENFKKQANIIVTNRYDNELQDVKNKVYSRDIFGRD,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_613ff69dedff2ae8096b03f3,test
catpreddb_kcat_kcat_5ce24a1e28aaca,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC=CC(=O)O,public_strict_iteration1_fulltrue_msa,-1.853871964321762,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_5d0b1ca10da9cc,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.0087739243075051,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_5d1368362a125b,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C(=O)c2ccccc2-c2ccccc21.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.632644078973981,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_5d614967b1f487,catpred_iteration1_kcat,kcat,P37061,P37061,MKVVVVGCTHAGTSAVKSILANHPEAEVTVYERNDNISFLSCGIALYVGGVVKNAADLFYSNPEELASLGATVKMEHNVEEINVDDKTVTAKNLQTGATETVSYDKLVMTTGSWPIIPPIPGIDAENILLCKNYSQANVIIEKAKDAKRVVVVGGGYIGIELVEAFVESGKQVTLVDGLDRILNKYLDKPFTDVLEKELVDRGVNLALGENVQQFVADEQGKVAKVITPSQEFEADMVIMCVGFRPNTELLKDKVDMLPNGAIEVNEYMQTSNPDIFAAGDSAVVHYNPSQTKNYIPLATNAVRQGMLVGRNLTEQKLAYRGTQGTSGLYLFGWKIGSTGVTKESAKLNGLDVEATVFEDNYRPEFMPTTEKVLMELVYEKGTQRIVGGQLMSKYDITQSANTLSLAVQNKMTVEDLAISDFFFQPHFDRPWNYLNLLAQAALENM,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,6.0,,,s_66de01111f47e1318e3e0e9e,test
catpreddb_kcat_kcat_5d8d66afdb91e0,catpred_iteration1_kcat,kcat,P23857,P23857,MFKKGLLALALVFSLPVFAAEHWIDVRVPEQYQQEHVQGAINIPLKEVKERIATAVPDKNDTVKVYCNAGRQSGQAKEILSEMGYTHVENAGGLKDIAMPKVKG,O=S(=O)(O)[S-].[C-]#N,O=S(=O)(O)[S-].[C-]#N,O=S(=O)(O)[S-].[C-]#N>>N#CS.O=S(O)O,public_strict_iteration1_fulltrue_msa,1.806179973983887,,,s_6bddb45cf4c82ee922a2db21,test
catpreddb_kcat_kcat_5d961c58127dd7,catpred_iteration1_kcat,kcat,G4NAP4,G4NAP4,MRVLVWIAGLAPLAVAVPSSSYRVAVAARADNTSASVAPSQNVSGAAPPELVVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPTEDALPFQVDRATVKQLTKTSLKALHAAGRLFVADHSYQRNYTRLANRYSAACTALFYLDPRSNQFLPLAIKTNVGADLTYTPLDTDNNNWLLAKIMFNNNDLFHGQIFHVAYPHAIAEIVHLAALRTMSARHPVLALMERLMYQAYAVRPLGERVLFNKGGLFEQNFAYPQDMVYKFVGDSYPTTGRWRAGYLDTDVRARGLVDADYGPELPHFPFYEDGSRLVEVIRRFVRSFVDATYHESDEMVAKDAELQAWVAEANGPAGVEDFEPGPLDTRERLVEVLTHMAWLTGCAHHVLNQGEPVTASGVLPMHPTALYAPVPTSKANTTADLLGYLPSAQKSVDQVTLLARFNRPDVVPTNQTLRYMFAAPQLLLGNGEAYRRANQRFVRAMGRISDEVKARRFDDRGLSQGMPFIWQALDPGNIPFYLSV,CC/C=C/C/C=C/C/C=C/CCCCCC(=O)O.O=O,CC/C=C/C/C=C/C/C=C/CCCCCC(=O)O.O=O,CC/C=C/C/C=C/C/C=C/CCCCCC(=O)O.O=O>>CCCCCCCCCC=CC=CC=C(OO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.4623979978989561,,,s_10729ae42944f3da11c01607,test
catpreddb_kcat_kcat_5dc511d9e5c3d8,catpred_iteration1_kcat,kcat,Q9SAH9,Q9SAH9,MLVDGKLVCVTGAGGYIASWIVKLLLERGYTVRGTVRNPTDPKNNHLRELQGAKERLTLHSADLLDYEALCATIDGCDGVFHTASPMTDDPETMLEPAVNGAKFVIDAAAKAKVKRVVFTSSIGAVYMNPNRDTQAIVDENCWSDLDFCKNTKNWYCYGKMLAEQSAWETAKAKGVDLVVLNPVLVLGPPLQSAINASLVHILKYLTGSAKTYANLTQVYVDVRDVALGHVLVYEAPSASGRYILAETALHRGEVVEILAKFFPEYPLPTKCSDEKNPRAKPYKFTTQKIKDLGLEFKPIKQSLYESVKSLQEKGHLPLPQDSNQNEVIIES,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.COc1cc(C=CC=O)ccc1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.1264561134318045,,,s_b5f6d9163eaf383b66897a43,test
catpreddb_kcat_kcat_5e0417e3993172,catpred_iteration1_kcat,kcat,Q9L9F4,Q9L9F4,MLILGLNGNVSAAGADVVPNLNELYMHDAAATLVRDGVLVAAVEEERLNRIKKTTKFPSNAIRECLAAAGAKPADVDAIAYYFPEDFFDDIFQQLYTEHPSVPTRYSREMILERLRVDLGWAAPPDILHYVPHHLAHAMSTYYRSGMREALVVVMDGAGERNCTTIYRSDGAELFEIASYPVPKSLGMFYLYGTRHLGYGFGDEYKVMGLAPYGDPSTYRDVFSTLYSLGPNGTYELIPRGGVVFRMTTILREHGLQPRRRGEPFTQAHMDFAASVQETTEQIAMHVIGYWARSTGLRNLAFGGGVAHNSTLNGRILTSGLFDEVFVHPASHDAGSSEGAALVVARERGERVWPLPRLTNASLGPDLGDVDSLERTLKSWSPLVDVERPDDIVEATAHLLAAGEAIGWAHGRSEFGPRALGNRSILADARPKENQTRINAMVKKRESFRPFAPVVTAEAAGDYFDLPETVGHHDFMSFVVQVRADRRELLGAVTHVDGSARVQVVTEETNPRFHRLVTRFGELTGTPVLLNTSFNNHAEPIVQSVDDVLTSYLTTSLDVLVIEDFVVRRRTELPLALEDFTIGFRPVTRLVRRLADVSAGRPGAPEVSHEIYLDHTSGPRATISAAMYELLTHADGVTPLGSLGIELTGELLTELYDLWQGRFVTVAPVGDGAGSAP,CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1O.N=C(O)OP(=O)(O)O,CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1O.N=C(O)OP(=O)(O)O,CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1O.N=C(O)OP(=O)(O)O>>CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](OC(=N)O)[C@H]4O)c(Cl)c3oc2=O)ccc1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.1846914308175988,,,s_cf92563dbf75db8cc3f111e8,test
catpreddb_kcat_kcat_5e639e45f1f48a,catpred_iteration1_kcat,kcat,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCC=O.O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCC=O.O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCC=O.O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.NCCCC(=O)O.[H],public_strict_iteration1_fulltrue_msa,4.441852175773292,,,s_5f171a39f788d95d16fb2f10,test
catpreddb_kcat_kcat_5e7792e65c483f,catpred_iteration1_kcat,kcat,Q9AE70,Q9AE70,MTLKGKTALVTGSTSGIGLGIAQVLARAGANIVLNGFGDPAPALAEIARHGVKAVHHPADLSDVAQIEALFALAEREFGGVDILVNNAGIQHVAPVEQFPLESWDKIIALNLSAVFHGTRLALPGMRARNWGRIINIASVHGLVGSTGKAAYVAAKHGVVGLTKVVGLETATSNVTCNAICPGWVLTPLVQKQIDDRAANGGDPLQAQHDLLAEKQPSLAFVTPEHLGELVLFLCSEAGSQVRGAAWNVDGGWLAQ,C[C@@H](O)CC(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@@H](O)CC(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@@H](O)CC(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)CC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,3.14050804303818,,,s_3d3d5d951341d2362831d124,test
catpreddb_kcat_kcat_5e8c2944b026a6,catpred_iteration1_kcat,kcat,Q8TLW1,Q8TLW1,MSRMTSLLSQFVSKTDFESYEDFQENFKILVPENFNFAYDVVDVYARDSPEKLAMIWCDDYGNEKIFTFKDLKYYSDKAANFFVKHGIGKGDYVMLTLKSRYDFWYCMLGLHKLGAIAVPATHMLKTRDIVYRIEKAGLKMIVCIAEDDVPEQVDEAHAECGDIPLKKAKVGGDVLEGWIDFRKELEESSPIFERPTGEVSTKNEDICLVYFSSGTAGFPKMVEHDNTYPLGHILTAKYWQNVEDDGLHYTVADSGWGKCVWGKLYGQWIAGCAVFVYDYDRFEAKNMLEKASKYGVTTFCAPPTIYRFLIKEDLSHYNFSTLKYAVVAGEPLNPEVFNRFLEFTGIKLMEGFGQTETVVTIATFPWMEPKPGSIGKPTPGYKIELMDRDGRLCEVGEEGEIVINTMEGKPVGLFVHYGKDPERTEETWHDGYYHTGDMAWMDEDGYLWFVGRADDIIKTSGYKVGPFEVESALIQHPAVLECAITGVPDPVRGQVIKATIVLTKDYTPSDSLKNELQDHVKNVTAPYKYPRIIEFVPELPKTISGKIRRVEIRDKDQSQ,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(C)C(=O)[O-].Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(C)C(=O)[O-].Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(C)C(=O)[O-].Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CCC(C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.1986570869544226,,,s_5df5588f23339e6a8fa46c15,test
catpreddb_kcat_kcat_5ea99a1c2899a6,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCCCC(=O)CC(O)=NC1CCOC1=O.O,CCCCCCCCCC(=O)CC(O)=NC1CCOC1=O.O,CCCCCCCCCC(=O)CC(O)=NC1CCOC1=O.O>>CCCCCCCCCC(=O)CC(O)=NC(CCO)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.4089353929735008,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_5eb44674d541d7,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N)CCC(O)=NC(=O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(=O)N=C(O)CC[C@H](N)C(=O)N=C(O)CC[C@H](N)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N)CCC(O)=NC(=O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(=O)N=C(O)CC[C@H](N)C(=O)N=C(O)CC[C@H](N)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N)CCC(O)=NC(=O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(=O)N=C(O)CC[C@H](N)C(=O)N=C(O)CC[C@H](N)C(=O)O.O>>CC[C@H](C)[C@H](N)C(=O)ON[C@@H](C)C(=O)ONCC(=O)ON[C@@H](CCC(=N)O)C(=O)ON[C@@H](CCC(=N)O)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=NCC(=O)O,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_5ee6d8f1a98bd1,catpred_iteration1_kcat,kcat,B0VH76,B0VH76,MAEKLKLARSMSLFEEAKQLVPGGVAGIRRPYNFVPGEYPIFFDHGKGGRVVDVDGNEYIDFLCAYGPIIIGYREDEIDDAVINQIKNKGFCFSLTQEMQNTLVKKLRELIPCCEMAALVKTGSDATTIAIRVARGYTGKTKIARYGYHGWHDWCVEVKGGIPPKLYEDIYEFHYNDLDSLKAILEANKDDMAGIIITPIGHPNGAEVQMPKPGYLEAVRELANQYHCLLIFDEIRSGFRCSLGGAQKLFGVTPDLSTFGKAMANGYAIAALVGKEEYMQVLADKVFLSSTFFPNSDGIVAAIKTIEILERDRILDVVAAKGRKFGAEVEKVVEESGVPVNFTGAPWMPYITFKKDEAGLYKKLRTEYYTQLIRHNVFMQPYHHGYICYRHTDEDLAYTVEAIRESLAEVKKML,CC(=O)C(=O)O.C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)C(=O)O.C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)C(=O)O.C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.3979400086720376,,,s_cb5f03968ec2a3ea41ee648c,test
catpreddb_kcat_kcat_5f1493222802a8,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.8195439355418688,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_5f31c181aa3598,catpred_iteration1_kcat,kcat,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,CC(=O)OC[C@H](N)C(=O)O.S,CC(=O)OC[C@H](N)C(=O)O.S,CC(=O)OC[C@H](N)C(=O)O.S>>CC(=O)O.N[C@@H](CS)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.1079053973095195,,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_kcat_kcat_5f6ead4f085937,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(Cl)=C(Cl)C(=O)c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(Cl)=C(Cl)C(=O)c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C(Cl)=C(Cl)C(=O)c2ccccc21.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.4623979978989561,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_5f90fea7a55887,catpred_iteration1_kcat,kcat,A0A168S2B8,A0A168S2B8,MESGGMSKNSTLICVPIMGETIEKMVVDMSKAKTSGADLVEVRLDTLKRFNPRQDLEVLIRKCPLPTLFTYRPKWEGGQYEGDENSRRDALRLAMELGADYVDIELKVAHEFINSIHGRKPEKFKVIVSSHNYQNTPSVEDLGNLVVSIQATGADIVKIATTALEITDVARIFQITVHSQVPVIGLVMGERGLISRILCPKFSGYLTFGSLEPGIVSAPGQPTIKDLLNLYNFRQLGPDTKVFGVIGKPVSHSKSPHLYNEAFKSVGFNGVYVHLLVDDIAKFFHTYSAADFAGFSCTIPHKEAALKCCDEVSPVAKSIGAVNCIIRRPSDGKLFGYNTDYVGAISAIEDGLRDLHKISSTSGSPLAGKLFVVIGAGGAGKALAYGAKEKGARVVIANRTYARARELADAVGGDALSLADLNNFHPENGMILANTTSIGMQPKVDETPISKHALKYYSLVFDAIYTPKITRLLREAQESGATIVTGLEMFIGQAYEQFERFTGLPAPKELFKQFISNLQ,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,public_strict_iteration1_fulltrue_msa,1.981592117214081,,,s_ea17a99ea775fd120e8e6609,test
catpreddb_kcat_kcat_5fcb86a8f75823,catpred_iteration1_kcat,kcat,P59626,P59626,MDISVEFSGHKLANVLMNASGIHCMTIKEMDELAASQAGAFVAKTATPNPRQGNEEPRYFDTPLGSINSMGLPNLGIDYYLDYQIARQKEFPEELRFLSVSGMNYEENIAILKKVQESEYTGVTEFNLSCPNLPGKPQIAYDFELTEKLLTEVFQFFTKPLGVKLPPFFDIAHFDAMAEILNKFPLVYVNSINSIGNGLYIDSDKEEVVIKPKGGFGGLGGEYVKPTALANVRAFAQRLKPEIKIIGTGGITCGKDVFEHLLCGATLVQVGTQLHQEGPQVFERLAKELQEIMAAKGYESIEEFRGKLKEM,O=C(O)C=CC(=O)O.O=C1CC(C(=O)O)NC(=O)N1,O=C(O)C=CC(=O)O.O=C1CC(C(=O)O)NC(=O)N1,O=C(O)C=CC(=O)O.O=C1CC(C(=O)O)NC(=O)N1>>O=C(O)CCC(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,1.3424226808222062,,,s_3d689b9a25c332dac074a68d,test
catpreddb_kcat_kcat_5fccb9f70bba97,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O.O,Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O.O,Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O.O>>Cc1ncc(CO)c(CO)c1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.2148438480476978,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_5fd2ac2b2610cf,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CC(C)[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CC(C)[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>CC(C)[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,0.5831987739686227,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_5fdc43abda795f,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCCCCC(O)CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.0606978403536116,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_6026432ccb7c4a,catpred_iteration1_kcat,kcat,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,C[C@H](N)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],C[C@H](N)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],C[C@H](N)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+]>>C[C@H](NC(C(=O)O)C(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,1.6459132750338443,,,s_60739e58ddb317a5c595f6fd,test
catpreddb_kcat_kcat_607043d22d221b,catpred_iteration1_kcat,kcat,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,COC1=CC(=O)C=CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,COC1=CC(=O)C=CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,COC1=CC(=O)C=CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>COc1cc(O)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,5.643452676486188,,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_kcat_kcat_60aa744259d80b,catpred_iteration1_kcat,kcat,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,CCCCCCCCCCCCCC=CC(O)C(N)CO.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CCCCCCCCCCCCCC=CC(O)C(N)CO.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CCCCCCCCCCCCCC=CC(O)C(N)CO.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CCCCCCCCCCCCCC=CC(O)C(N)COP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.9294189257142929,,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_kcat_kcat_60ac40b7485342,catpred_iteration1_kcat,kcat,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.64738297011462,,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_kcat_kcat_60adab98da9347,catpred_iteration1_kcat,kcat,N0DP12,N0DP12,MARIGIHSFVWSASSAQSELERTLANTRDAGFDLIEFSYLDPADVDIGRLAKRIADLGLGVAISIGLPADGDISSADKAVAARGVEILNQTIALTRDLGGRKVAGILSAGHGLQVEAPTRDQWNRSAAALAKVAETAKAAGVTLNLEIVNRFESNLLNTAAQGLAFIEDTGSDNIFLHLDTFHMNIEEADVGLAIRHAAGKIGYVHIGESHRGFLGTGNIDFAAIFDALTAIGYADDLSFESFSSEIVDENLSKKTAIWRNLWTDNMALAKHARAFIGLGLETARRKAELVSARHKP,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O>>OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.2441251443275083,2.146128035678238,,s_00e3b0bef8c1907ff732396c,test
catpreddb_kcat_kcat_60b392c8521f77,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.OCC1OC(O)C(O)C(O)C1O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.OCC1OC(O)C(O)C(O)C1O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.OCC1OC(O)C(O)C(O)C1O>>Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.2068258760318497,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_60bdd2b4375049,catpred_iteration1_kcat,kcat,Q88IJ7,Q88IJ7,MSDRYAVIGRPINHTKSPLIHGLFAQASNQQLEYGAIEGSLDDFEAQVLQFRSEGGKGMNITAPFKLRAFELADRRSERAQLARAANALKFEDGRIVAENFDGIGLLRDIEENLGEPLRNRRVLLLGAGGAVRGALLPFLQAGPSELVIANRDMAKALALRNELDHSRLRISRYEALEGQSFDIVVNATSASLTADLPPLPADVLGEAALAYELAYGKGLTPFLRLAREQGQARLADGVGMLVEQAAEAFAWWRGVRPDTRAVINQLTIPLE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1.[H+],public_strict_iteration1_fulltrue_msa,2.4871383754771865,,,s_0c0d843b21f182e40510ca14,test
catpreddb_kcat_kcat_60d29e9b6bff11,catpred_iteration1_kcat,kcat,P38993,P38993,MTNALLSIAVLLFSMLSLAQAETHTFNWTTGWDYRNVDGLKSRPVITCNGQFPWPDITVNKGDRVQIYLTNGMNNTNTSMHFHGLFQNGTASMDGVPFLTQCPIAPGSTMLYNFTVDYNVGTYWYHSHTDGQYEDGMKGLFIIKDDSFPYDYDEELSLSLSEWYHDLVTDLTKSFMSVYNPTGAEPIPQNLIVNNTMNLTWEVQPDTTYLLRIVNVGGFVSQYFWIEDHEMTVVEIDGITTEKNVTDMLYITVAQRYTVLVHTKNDTDKNFAIMQKFDDTMLDVIPSDLQLNATSYMVYNKTAALPTQNYVDSIDNFLDDFYLQPYEKEAIYGEPDHVITVDVVMDNLKNGVNYAFFNNITYTAPKVPTLMTVLSSGDQANNSEIYGSNTHTFILEKDEIVEIVLNNQDTGTHPFHLHGHAFQTIQRDRTYDDALGEVPHSFDPDNHPAFPEYPMRRDTLYVRPQSNFVIRFKADNPGVWFFHCHIEWHLLQGLGLVLVEDPFGIQDAHSQQLSENHLEVCQSCSVATEGNAAANTLDLTDLTGENVQHAFIPTGFTKKGIIAMTFSCFAGILGIITIAIYGMMDMEDATEKVIRDLHVDPEVLLNEVDENEERQVNEDRHSTEKHQFLTKAKRFF,O=O.[Fe+2].[H],O=O.[Fe+2].[H],O=O.[Fe+2].[H]>>O.[Fe+3],public_strict_iteration1_fulltrue_msa,2.7558748556724915,,,s_47d6ad19027377fc8c915789,test
catpreddb_kcat_kcat_60df0e72100d74,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.42021640338319,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_60e12e5a7e0c94,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)CC(=O)O,public_strict_iteration1_fulltrue_msa,-0.744727494896694,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_60e1fa2e261e63,catpred_iteration1_kcat,kcat,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)O.O=P(O)(O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,O=P(O)(O)O.O=P(O)(O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,O=P(O)(O)O.O=P(O)(O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O>>O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.9169800473203824,,,s_d7aace9489d7fde5984a141e,test
catpreddb_kcat_kcat_60e6f4a815022d,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_615f508c94de1d,catpred_iteration1_kcat,kcat,P0CU53,P0CU53,MASSSRFAALLLLALPALALPPSQVVPRAACATPSTVPGYNNDRLPDPFLFDDGTAVTSSADWDCRRSQIAAVVQGYEAGYLPPQPPIVSATFSSSDGTGTLTVTAGLSSDNTISFSEPITYPSGTAPAAGWPLVIAYDVLSIPVPDGIAVMVYNNDDIAQENDLSSRGVGLFYDLYGTDATASAMTAWVWGVSRIIDALETTPAANINTAKIAVTGCSRDGKGALMAGAFEPRVALTIPQESGSGGDTCWRLSKYEQDSGDVVQQATEIVTENVWFSTNFDNYVNNLSVLPYDHHELAAMVAPRPLLSYENTEYEWLSPLSAYGCMSAAHTVYEALGIPDYHGFVQVGNHSHCYFPDTLDDSLYAFFDRFLLDEDDVSTDYFTTNYQFNGTVWNASYWINWTTPQLD,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O>>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.OCc1ccccc1,public_strict_iteration1_fulltrue_msa,0.1613680022349748,,,s_9fec1b0c57b37f0d9dbb181d,test
catpreddb_kcat_kcat_616b867240b98d,catpred_iteration1_kcat,kcat,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,C[C@H](N)CC(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N)CC(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N)CC(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N)CC(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.7109631189952756,,,s_0c3e58e911f51068e88986ab,test
catpreddb_kcat_kcat_61723b2502e529,catpred_iteration1_kcat,kcat,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,C=C(OP(=O)(O)O)C(=O)O.O=C=O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,C=C(OP(=O)(O)O)C(=O)O.O=C=O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,C=C(OP(=O)(O)O)C(=O)O.O=C=O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>O=C(O)CC(=O)C(=O)O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,4.193124598354462,,,s_d41fba0c5b340501d312a097,test
catpreddb_kcat_kcat_618a38002e6c0f,catpred_iteration1_kcat,kcat,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CC(=O)SCC[N+](C)(C)C.O,CC(=O)SCC[N+](C)(C)C.O,CC(=O)SCC[N+](C)(C)C.O>>CC(=O)O.C[N+](C)(C)CCS,public_strict_iteration1_fulltrue_msa,3.008600171761917,,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_kcat_kcat_6190fa3fbb9f4a,catpred_iteration1_kcat,kcat,A8BB85,A8BB85,MSAGKTVVIALGGNAMLQAKEKGDYDTQRKNVEIAASEIYKIHKAGYKVVLTSGNGPQVGAIKLQNQAAAGVSPEMPLHVCGAMSQGFIGYMMSQAMDNVFCANNEPANCVTCVTQTLVDPKDQAFTNPTKPVGRFYTEQEAKDLMAANPGKILREDAGRGWRVVVPSPRPLEIVEYGVIKTLIDNNVLVICTNGGGIPCKRENKVISGVDAVIDKDLATSLLAKTLNSDYLMILTDVLNACINYKKPDERKLEEIKLSEILALEKDGHFAAGSMGPKVRAAIEFTQATGKMSIITSLSTAVDALNGKCGTRIIKD,NC(=O)[O-].Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,NC(=O)[O-].Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,NC(=O)[O-].Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>N=C(O)OP(=O)(O)O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,1.6334684555795866,,,s_72c06ac273d521cddbd7338f,test
catpreddb_kcat_kcat_6193f682ae1ab2,catpred_iteration1_kcat,kcat,Q24JL3,Q24JL3,MKRAFSSQLRSAYPASKSTHFGRVMASSGSEAKANYAPISTNEPVVSVDWLHSNLGDADIKVLDASWYMAHEQRNPIQEYQVAHIPGALFFDLNGIADRKTNLRHMLPSEEAFAAGCSALGIENNDGVVVYDGMGLFSAARVWWMFRVFGHDKVWVLDGGLPKWRASGYDVESSVSNDAILKASAATEAIEKIYQGQTISPITFQTKFRPHLVLALDQVKENIEDKTYQHIDARSKARFDGIAPEPWKGLPSGHIPGSKCVPFPLMFDSSQTLLPAEELKKQFEQEDISLDSPIAASCGTGVTACILALGLYRLGKTNVAIYDGSWTEWATAPNLPIVGSSS,O=C(O)C(=O)CS.[C-]#N,O=C(O)C(=O)CS.[C-]#N,O=C(O)C(=O)CS.[C-]#N>>CC(=O)C(=O)O.N#CS,public_strict_iteration1_fulltrue_msa,5.033423755486949,,,s_4444e71530bfb89335d6e15b,test
catpreddb_kcat_kcat_61d688d5a71e93,catpred_iteration1_kcat,kcat,Q5FQJ0,Q5FQJ0,MASDTIRIPGIDTPLSRVALGTWAIGGWMWGGPDDDNGVRTIHAALDEGINLIDTAPVYGFGHSEEIVGRALAEKPNKAHVATKLGLHWVGEDEKNMKVFRDSRPARIRKEVEDSLRRLRVETIDLEQIHWPDDKTPIDESARELQKLHQDGKIRALGVSNFSPEQMDIFREVAPLATIQPPLNLFERTIEKDILPYAEKHNAVVLAYGALCRGLLTGKMNRDTTFPKDDLRSNDPKFQKPNFEKYLAAMDEFEKLAEKRGKSVMAFAVRWVLDQGPVIALWGARKPGQVSGVKDVFGWSLTDEEKKAVDDILARHVPNPIDPTFMAPPARD,CCC(=O)C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCC(=O)C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCC(=O)C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCC(=O)[C@@H](C)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.0293837776852095,,,s_d714fe7295deac8c6432a0b6,test
catpreddb_kcat_kcat_61e53cebcb6713,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,NC(CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)C(=O)O.O,NC(CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)C(=O)O.O,NC(CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.561101383649056,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_61f42a8719cf60,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.O,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.O,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.O>>Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(=O)O)cc1.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.0606978403536118,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_61fd748ece2fc0,catpred_iteration1_kcat,kcat,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccccc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.0681858617461616,,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_kcat_kcat_62172564523977,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.O,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.O,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.O>>CCCCCCCC(=O)O.CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC,public_strict_iteration1_fulltrue_msa,3.462397997898956,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_6227827b1abc73,catpred_iteration1_kcat,kcat,Q9ZN55,Q9ZN55,MKTSNTKTPKPVLIAGPCVIESLENLRSIAIKLQPLANNERLDFYFKASFDKANRTSLESYRGPGLEKGLEMLQTIKDEFGYKILTDVHESYQASVAAKVADILQIPAFLCRQTDLIVEVSQTNAIVNIKKGQFMNPKDMQYSVLKALKTRDSSIQSPTYETALKNGVWLCERGSSFGYGNLVVDMRSLKIMREFAPVIFDATHSVQMPGGANGKSSGDSSFPPILPRAAAAVGIDGLFAETHIDPKNALSDGANMLKPDELEHLVTDMLKIQNLF,C=C(OP(=O)(O)O)C(=O)O.O.O=CC(O)C(O)C(O)COP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.O.O=CC(O)C(O)C(O)COP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.O.O=CC(O)C(O)C(O)COP(=O)(O)O>>O=C(O)C1(O)CC(O)C(O)C(C(O)COP(=O)(O)O)O1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,3.591732238951836,,,s_6c6a9128c0ab4434580051fd,test
catpreddb_kcat_kcat_623983ff285777,catpred_iteration1_kcat,kcat,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.8241258339165489,,,s_2f0202dd752d2ea76fa66717,test
catpreddb_kcat_kcat_6251dcd9436bed,catpred_iteration1_kcat,kcat,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CS)C(=O)O.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CS)C(=O)O.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CS)C(=O)O.[H+]>>CC(N[C@@H](CS)C(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,1.6792461454138592,,,s_60739e58ddb317a5c595f6fd,test
catpreddb_kcat_kcat_6252f1373a00b7,catpred_iteration1_kcat,kcat,O02611,O02611,MSARKFVVGGNWKCNGTLASIETLTKGVAASVDAELAKKVEVIVGVPFIYIPKVQQILAGEANGANILVSAENAWTKSGAYTGEVHVGMLVDCQVPYVILGHSERRQIFHESNEQVAEKVKVAIDAGLKVIACIGETEAQRIANQTEEVVAAQLKAINNAISKEAWKNIILAYEPVWAIGTGKTATPDQAQEVHQYIRKWMTENISKEVAEATRIQYGGSVNPANCNELAKKADIDGFLVGGASLDAAKFKTIINSVSEKF,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O>>O=C(CO)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,3.541079767776629,-0.2355134031910146,,s_8f35bb516ccf1488f4b790d4,test
catpreddb_kcat_kcat_6257240bf9837e,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2c(O)ccc(O)c21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2c(O)ccc(O)c21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2c(O)ccc(O)c21.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C1C=CC(=O)c2c(O)ccc(O)c21,public_strict_iteration1_fulltrue_msa,0.380211241711606,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_62898221121657,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_6293334a37d8c1,catpred_iteration1_kcat,kcat,Q5TCS8,Q5TCS8,MTSQEKTEEYPFADIFDEDETERNFLLSKPVCFVVFGKPGVGKTTLARYITQAWKCIRVEALPILEEQIAAETESGVMLQSMLISGQSIPDELVIKLMLEKLNSPEVCHFGYIITEIPSLSQDAMTTLQQIELIKNLNLKPDVIINIKCPDYDLCQRISGQRQHNNTGYIYSRDQWDPEVIENHRKKKKEAQKDGKGEEEEEEEEQEEEEAFIAEMQMVAEILHHLVQRPEDYLENVENIVKLYKETILQTLEEVMAEHNPQYLIELNGNKPAEELFMIVMDRLKYLNLKRAAILTKLQGAEEEINDTMENDELFRTLASYKLIAPRYRWQRSKWGRTCPVNLKDGNIYSGLPDYSVSFLGKIYCLSSEEALKPFLLNPRPYLLPPMPGPPCKVFILGPQYSGKTTLCNMLAENYKGKVVDYAQLVQPRFDKARETLVENTIAEATAAAIKVVKEKLLRELQARKQAETALREFQRQYEKMEFGVFPMEATHSSIDEEGYIRIIIVGPPKSGKTTVAKKITSEYGLKHLSIGGALRYVLNNHPETELALMLNWHLHKGMTAPDELAIQALELSLMESVCNTAGVVIDGYPVTKHQMNLLEARSIIPMVIFELSVPSKEIFKRLLLEKENEQRLPYPLHNSAQIVAVNNVKYRKNIGEIRQYYQEQHQNWYVIDGFHSKWWVWNEVIKNVQMVNKYMQTYLERIKAGKAACIDKLCITPQELLSRLGEFEQFCPVSLAESQELFDCSATDSLEFAAEFRGHYYKMSSQEKLNKFLENPELYVPPLAPHPLPSADMIPKRLTLSELKSRFPKCAELQGYCPVTYKDGNQRYEALVPGSINYALEYHNRIYICENKEKLQKFLRSPLKYWEQKLPHKLPPLREPILLTSLPLPGYLEQGIATSLIKAMNAAGCLKPKFPFLSIRRSALLYIALHLKAFNPKGSEYTRKKYKKKMEQFMESCELITYLGAKMTRKYKEPQFRAIDFDHKLKTFLSLRNIDPING,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.0969100130080564,,,s_5769cc0d347788c6f3637827,test
catpreddb_kcat_kcat_6297fd0261fb01,catpred_iteration1_kcat,kcat,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,1.2624510897304295,,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_kcat_kcat_62a906e7093589,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O>>CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,1.9242792860618816,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_62b97679ae80e8,catpred_iteration1_kcat,kcat,Q6IP81,Q6IP81,MADPSSFASPEKFNIKHMHLKLHVDFTSRAIAASTSLTVRSLQDSLASLILDTKDLTIKKVAVNGKDATFALGTTHSFKGTPLEITLPFSLTRGQEVIVEIDSVTSPKSSALQWLNKEQTAGKIHPYLFSQCQATHCRSIIPCQDTPSVKFTYYSQVSVPKELMALMSALRDGELSEQSDSNRKIYRFKQNVPIPSYLIALVVGALEGRKVGPRTTIWTEKELLEPSVYEFAETEKMLKYAEDLAGPYVWGQYDLLILPPSFPYGGMENPCLTFVTPTVLAGDRSLASVIAHEISHSWTGNLVTNETWENFWLNEGHTVYLERRIDGRLYGEEFRQFKALGGWKELQNSVNTFGATNPLTNLVPNLHEVDVDAAFSSVPYEKGFALLFYLEQLLGGPEIFLGFLKSYIQMFAFKSVTTEEWKKFLYSYFKDKVDILDKVDWKGWMHTPGMPPVQPKYDMTLANACITLGQKWVKATESDLGSFSADDVKDLSSHQLIEVLAILLLEKPLPVSHVKRMQEVYNLNDVKNSEIRFRWLRLCIRAGWEDVIPLALAMATEQGRMKFTRPLYRDLYNFEKAREQTVNTFLKNRSFMHPVTEMLVAKDLHISAS,CC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.6334684555795865,,,s_075ae610bc9a7e816aa16a6b,test
catpreddb_kcat_kcat_62cd2ea683f525,catpred_iteration1_kcat,kcat,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC.O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.585026652029182,,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_kcat_kcat_62db9fa17e84a1,catpred_iteration1_kcat,kcat,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,CC1CNc2[nH]c(=N)nc(O)c2N1.Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12.O=O,CC1CNc2[nH]c(=N)nc(O)c2N1.Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12.O=O,CC1CNc2[nH]c(=N)nc(O)c2N1.Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12.O=O>>CC1=Nc2c(O)nc(=N)[nH]c2NC1.Cc1c(O)ccc2[nH]cc(CC(N)C(=O)O)c12.O,public_strict_iteration1_fulltrue_msa,0.1408221801093105,,,s_11464cac78fa396921bed3a7,test
catpreddb_kcat_kcat_631ffa36914c86,catpred_iteration1_kcat,kcat,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.899273187317604,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_6328893fd68c91,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.2596373105057561,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_633f3bb4caae51,catpred_iteration1_kcat,kcat,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.418135498425232,,,s_172b558c15818a4aa109b980,test
catpreddb_kcat_kcat_6343b6a96bcdb2,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.6635402661514704,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_634fbf321c2a23,catpred_iteration1_kcat,kcat,P04798,P04798,MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS,COc1ccc2[nH]cc(CCN=C(C)O)c2c1.O=O,COc1ccc2[nH]cc(CCN=C(C)O)c2c1.O=O,COc1ccc2[nH]cc(CCN=C(C)O)c2c1.O=O>>COc1ccc2[nH]cc(CCN=C(C)O)c2c1.O,public_strict_iteration1_fulltrue_msa,2.588383768378728,,,s_716474a92aa109ca90555f9e,test
catpreddb_kcat_kcat_635ff10e7574e7,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1.O>>,public_strict_iteration1_fulltrue_msa,2.7323937598229686,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_6367576e5d314e,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1Cc2cccc3cccc1c23,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1Cc2cccc3cccc1c23,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1Cc2cccc3cccc1c23>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1Cc2cccc3cccc1c23.[H],public_strict_iteration1_fulltrue_msa,2.6532125137753435,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_637f499d4071e7,catpred_iteration1_kcat,kcat,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,COP(=O)(O)Oc1ccc([N+](=O)[O-])cc1.O,COP(=O)(O)Oc1ccc([N+](=O)[O-])cc1.O,COP(=O)(O)Oc1ccc([N+](=O)[O-])cc1.O>>COP(=O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-2.397940008672037,,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_kcat_kcat_63f800b8c21252,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(=O)(=O)Nc2nccs2)cc1>>O=P(O)(O)OP(=O)(O)O.O=S(=O)(Nc1cccs1)c1ccc(N2C=N[C]3NCC=NC3=C2)cc1,public_strict_iteration1_fulltrue_msa,-1.0520763801682735,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_63f85c9ca88914,catpred_iteration1_kcat,kcat,B3VPB3,B3VPB3,MGVSAVLLPLYLLSGVTSGLAVPASRNQSTCDTVDQGYQCFSETSHLWGQYVPFFSLANESAISPDVPAGCRVTFAQVLSRHGARYPTDSKGKKYSALIEEIQQNATTFDGKYAFLKTYNYSLGADDLTPFGEQELVNSGIKFYQRYESLTRNIIPFIRSSGSSRVIASGKKFIEGFQSTKLKDPRAQPGQSSPKIDVVISEASSSNNTLDPGTCTVFEDSELADAVEANFTATFVPTIRQRLENDLSGVSLTDTEVTYLMDMCSFDTISTSTVDTKLSPFCDLFTHDEWINYDYLQSLKKYYGHGAGNPLGPTQGVGYANELIARLTHSPVHDDTSSNHTLDSNSATFPLNSTLYADFSHDNGIISILFALGLYNGTKPLSTTTVQNITQTDGFSSAWTVPFASRLYVEMMQCQAEQEPLVRVLVNDRVVPLHGCPVDALGRCTRDSFVKGLSFARSGGDWAECFA,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O>>O=P(O)(O)O.O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,2.44870631990508,,,s_5ed105acb4c7e38459e7081e,test
catpreddb_kcat_kcat_64020ce9cfcc11,catpred_iteration1_kcat,kcat,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,COc1ccccc1O.O=O,COc1ccccc1O.O=O,COc1ccccc1O.O=O>>COC1=CCC=CC1=O.O,public_strict_iteration1_fulltrue_msa,-0.707743928643524,,,s_55a74685ac62fb5c184ff381,test
catpreddb_kcat_kcat_641ff72dce091f,catpred_iteration1_kcat,kcat,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(=O)O.C[C@H](N=C(O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.3010299956639813,,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_kcat_kcat_6466a2da3c0bd9,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,CC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,CC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,CC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O>>CC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,-0.3872161432802645,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_6482831986bd48,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)C(=O)C(=O)O.CC[C@@H](C)[C@H](N)C(=O)O,CC(C)C(=O)C(=O)O.CC[C@@H](C)[C@H](N)C(=O)O,CC(C)C(=O)C(=O)O.CC[C@@H](C)[C@H](N)C(=O)O>>CC(C)[C@H](N)C(=O)O.CCC(C)C(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.431363764158988,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_64d2ae79da99c9,catpred_iteration1_kcat,kcat,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O>>C[C@H](N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_2caefa44f3749bcdb7479c26,test
catpreddb_kcat_kcat_64dc1822b00f49,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.61066016308988,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_64e7550846979e,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,2.1931245983544616,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_6532989074c361,catpred_iteration1_kcat,kcat,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC(c1ccccc1)c1ccncc1,public_strict_iteration1_fulltrue_msa,1.6232492903979006,,,s_2764a837703abb2f4c81a0d2,test
catpreddb_kcat_kcat_6552e3858a12e9,catpred_iteration1_kcat,kcat,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c12.OO.[Na+].[Na+].[Na+].[Na+],Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c12.OO.[Na+].[Na+].[Na+].[Na+],Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c12.OO.[Na+].[Na+].[Na+].[Na+]>>Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c12.O.[Na+].[Na+].[Na+].[Na+],public_strict_iteration1_fulltrue_msa,1.0253058652647702,,,s_3922a407c453485de3311bb6,test
catpreddb_kcat_kcat_655dbc5dbe6137,catpred_iteration1_kcat,kcat,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,O=Cc1ccc(CO)o1.O=O,O=Cc1ccc(CO)o1.O=O,O=Cc1ccc(CO)o1.O=O>>O=Cc1ccc(C=O)o1.OO,public_strict_iteration1_fulltrue_msa,-0.2518119729937995,,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_kcat_kcat_6568c1f32712b4,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCCCCN.O.O=O,NCCCCCN.O.O=O,NCCCCCN.O.O=O>>C1=NCCCC1.N.OO,public_strict_iteration1_fulltrue_msa,0.0,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_6568fc259e7116,catpred_iteration1_kcat,kcat,P02829,P02829,MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQFGVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDDQLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKEVPIPEEEKKDEEKKDEEKKDEDDKKPKLEEVDEEEEKKPKTKKVKEEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSISNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSAFSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAEREKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSANMERIMKAQALRDSSMSSYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKLLYETALLTSGFSLDEPTSFASRINRLISLGLNIDEDEETETAPEASTAAPVEEVPADTEMEEVD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.5976951859255124,,,s_a23da6027d1547e2d928653e,test
catpreddb_kcat_kcat_656c94fba7f2b5,catpred_iteration1_kcat,kcat,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O>>O,public_strict_iteration1_fulltrue_msa,1.6232492903979006,,,s_156ab3956782e3458257c298,test
catpreddb_kcat_kcat_6580da1504741d,catpred_iteration1_kcat,kcat,Q8N4J0,Q8N4J0,MQRRRRPPPPTSRLPEGCGGGGGGSEEVEVQFSAGRWGSAAAVSAAAAAATRSTEEEEERLEREHFWKIINAFRYYGTSMHERVNRTERQFRSLPANQQKLLPQFLLHLDKIRKCIDHNQEILLTIVNDCIHMFENKEYGEDGNGKIMPASTFDMDKLKSTLKQFVRDWSETGKAERDACYQPIIKEILKNFPKERWDPSKVNILVPGAGLGRLAWEIAMLGYACQGNEWSFFMLFSSNFVLNRCSEINKYKLYPWIHQFSNNRRSADQIRPIFFPDVDPHSLPPGSNFSMTAGDFQEIYSECNTWDCIATCFFIDTAHNVIDYIDTIWKILKPGGIWINLGPLLYHFENLANELSIELSYEDIKNVVLQYGFKVEVEKESVLSTYTVNDLSMMKYYYECVLFVVRKPQ,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCC(O)=NCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCC(O)=NCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCC(O)=NCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O>>Cn1cnc(C[C@H](N=C(O)COC(=O)CN)C(=O)O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.2218487496163564,,,s_480b955f6b56cd604a59a8c8,test
catpreddb_kcat_kcat_65aab6b0e5d2e8,catpred_iteration1_kcat,kcat,Q187D4,Q187D4,MYNKETICVQGNYKPGNGEPRVLPLYQSTTFKYSSIDQLAELFDLKVDGHIYSRISNPTIQAFEEKISLLEGGVSSVAVSSGQSANMLAVLNICKSGDSILCSSKVYGGTFNLLGPSLKKFGIDLISFDLDSSEDEIVELAKENTKVVFAETLANPTLEVIDFEKIANVAKRINVPFIVDNSLASPVLCNPLKYGANIVTHSTTKYLDGHASSVGGIIVDGGNFNWDNGKFPELVEPDPTYHGISYTQKFGNAAYATKARVQLLRDYGNCLSPFNAYLTNLNVETLHLRMERHSENALKIARFLEKHENVDWINYPGLEDNKYYENAKKYLSRGCSGVLSFGVRGGLENAKKFVEKLQIASLVTHVSDVRTCVIHPASTTHRQLTEEQLIASGVLPSLIRLSVGIENVEDLIADLNQALNF,N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O.S,N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O.S,N[C@@H](CCOC(=O)CCC(=O)O)C(=O)O.S>>N[C@@H](CCS)C(=O)O.O=C(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,1.985201858364572,,,s_ca1d2cddc60a3e3f5b491e27,test
catpreddb_kcat_kcat_65b3d5cb8a0e51,catpred_iteration1_kcat,kcat,A0A1D8EJG8,A0A1D8EJG8,MKSTVASALLVLAGTAVQAQSGPWQQCGGIGWQGPFTCVSGHTCQVLNDWYHQCVPGGGPSPPPTSPPPTTPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPSSGSCPSTPGGLGSGNQRLPDPFTFHNGNTVTSAADFQCRQREVSSLIQQYELGQFPAPPQSVTSSYSGNTLSITVSDQGRSISFSVSISGGSGSKSPAIIAYGAPSIPVPNGVATIRFNNDDIAAQQSGSSRGQGKFYNLYGSGHSAGAMTAWAWGVARIIDALEKTPAAGIDPTRVGVTGCSRNGKGAMVAGALEPRIALTIPQESGSGGSACWRISNWQGQQGQNVQTPAQIITENVWLGPVFNNHANNVNALPFDHHQLAGLIAPRALYVIENSDMEWLGWTATYGCMAAARTQWEALGALDNFGFSQVGGNQHCSFNSGKQSAELNAFINKFLLQSGGGTTSILRTERNHGSFNLAEWTPWNVPNLR,O.O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O.O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O.O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O>>O=C(O)C1OC(O)C(O)C(O)C1O.OCc1ccccc1,public_strict_iteration1_fulltrue_msa,-0.1023729087095585,,,s_14c73ee61fa57956bf09c3d5,test
catpreddb_kcat_kcat_65fa8d42276314,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.1818435879447725,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_6654e98e6e4940,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O>>CCC(N)C(=O)O.O.O=C(O)c1cc(=O)c2ccccc2[nH]1,public_strict_iteration1_fulltrue_msa,-0.1611509092627447,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_6698eafa3eb817,catpred_iteration1_kcat,kcat,A0A229Y8S8,A0A229Y8S8,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,public_strict_iteration1_fulltrue_msa,2.12057393120585,,,s_a6432c9e3ec244d8753afdde,test
catpreddb_kcat_kcat_66ad4f463d6487,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)CC(=O)C(=O)[O-].CCC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)[O-].CCC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)[O-].CCC[C@H](N)C(=O)O>>CC(C)C[C@H](N)C(=O)O.CCCC(=O)C(=O)[O-],public_strict_iteration1_fulltrue_msa,1.934498451243568,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_66b267e3b024b4,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.6127838567197355,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_66b342f0f62ba9,catpred_iteration1_kcat,kcat,K7NBW3,K7NBW3,MEKGDTHILVFPFPSQGHINPLLQLSKRLIAKGIKVSLVTTLHVSNHLQLQGAYSNSVKIEVISDGSEDRLETDTMRQTLDRFRQKMTKNLEDFLQKAMVSSNPPKFILYDSTMPWVLEVAKEFGLDRAPFYTQSCALNSINYHVLHGQLKLPPETPTISLPSMPLLRPSDLPAYDFDPASTDTIIDLLTSQYSNIQDANLLFCNTFDKLEGEIIQWMETLGRPVKTVGPTVPSAYLDKRVENDKHYGLSLFKPNEDVCLKWLDSKPSGSVLYVSYGSLVEMGEEQLKELALGIKETGKFFLWVVRDTEAEKLPPNFVESVAEKGLVVSWCSQLEVLAHPSVGCFFTHCGWNSTLEALCLGVPVVAFPQWADQVTNAKFLEDVWKVGKRVKRNEQRLASKEEVRSCIWEVMEGERASEFKSNSMEWKKWAKEAVDEGGSSDKNIEEFVAMLKQT,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,-0.3872161432802645,,,s_149cd835f6a77fca4008caab,test
catpreddb_kcat_kcat_66e971661f2360,catpred_iteration1_kcat,kcat,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCC(=O)O.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCC(=O)O.[H+],CC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCC(=O)O.[H+]>>C[C@@H](NCC(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,1.6996643202023731,,,s_60739e58ddb317a5c595f6fd,test
catpreddb_kcat_kcat_674f2e76082ada,catpred_iteration1_kcat,kcat,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,NC(Cc1cccc(O)c1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,NC(Cc1cccc(O)c1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,NC(Cc1cccc(O)c1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.2839966563652008,,,s_20763196f05a193ee16b396c,test
catpreddb_kcat_kcat_675a0d36110b58,catpred_iteration1_kcat,kcat,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,NCC(=O)NC1OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=CO,NCC(=O)NC1OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=CO,NCC(=O)NC1OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=CO>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=CNCC(=O)NC1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.3222192947339193,,,s_2925763e116557ae8a1c8b26,test
catpreddb_kcat_kcat_6760616b3cdf61,catpred_iteration1_kcat,kcat,O08467,O08467,MNEIKGIERAVQVEVPRPRFLLLAFTDINGSLKGMEIPMERYEEAVEDGVSFDGSSIPGFEGIEDSDLIFKADPSTYAEIPWEGIGRVYGYIYKGDEPYQADPRGILKRVLERLEKEGLKAHIGPEPEFYIFKKNGTWELHIPDSGGYFDLVGLDKAREIRREIALYMPYLGLKPEVLHHEVGKAQHEIDFRYDEALRTADNIVSFKHVVKAVAELHGYYATFMPKPIYGFPGNGMHLHISLWKDGENVFIGEDGLSDTALHFIGGILKHAKALAALTNPTVNSYKRLVPGYEAPVYISWGYRNRSALIRVPAFKGSGARIEYRCPDPSANPYLALAGILMVGLDGIKKKVEPDSYVETNVYEMDDAERERLGIDTLPGSLGEALEELKKDKTVREALGGAYKNFIDYKEREWEEYIEYLSSRDIPIDTKKVTEWELERYFYV,NO.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,NO.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,NO.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N[C@@H](CCC(O)=NO)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.1082266563749286,,,s_65f56d67ce4d07a65643cb4e,test
catpreddb_kcat_kcat_677478f852451f,catpred_iteration1_kcat,kcat,P39610,P39610,MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS,Cc1ncc(CO)c(C=O)c1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Cc1ncc(CO)c(C=O)c1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Cc1ncc(CO)c(C=O)c1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Cc1ncc(COP(=O)(O)O)c(C=O)c1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.494850021680094,,,s_24664a2ea5a6f8e1e0451e83,test
catpreddb_kcat_kcat_678679df330b14,catpred_iteration1_kcat,kcat,A2FT29,A2FT29,MRTFFVGGNWKANPKTVQEAEKLVEMLNGAKVEGNVEVVVAAPFVFLPTLQQKLRKDWKVSAENVFTKPNGAFTGEVTVPMIKSFGIEWTILGHSERRDILKEDDEFLAAKAKFALENGMKIIYCCGEHLSEREAGKASEFVSAQIEKMIPAIPAGKWDDVVIAYEPIWAIGTGKVASTQDAQEMCKVIRDILAAKVGADIANKVRILYGGSVKPNNCNELAACPDVDGFLVGGASLEAGFINIVNSNVHSK,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O>>O=C(CO)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,3.137670537236755,,,s_a1553708620c403ae3cb29c2,test
catpreddb_kcat_kcat_67909539a9370e,catpred_iteration1_kcat,kcat,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+],C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+],C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+]>>Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12.O,public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_kcat_kcat_67fd51193fdfbd,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_68005dea860a4a,catpred_iteration1_kcat,kcat,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,NC(CCS)C(=O)O.OCCS,NC(CCS)C(=O)O.OCCS,NC(CCS)C(=O)O.OCCS>>N[C@@H](CCSCCO)C(=O)O.S,public_strict_iteration1_fulltrue_msa,1.0236639181977936,,,s_482422f32efc21500360d70c,test
catpreddb_kcat_kcat_682d3f9b149054,catpred_iteration1_kcat,kcat,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_d45caf713d065ae4220c2800,test
catpreddb_kcat_kcat_6845b9ecee0c10,catpred_iteration1_kcat,kcat,Q7MUW6,Q7MUW6,MKKTIFQQLFLSVCALTVALPCSAQSPETSGKEFTLEQLMPGGKEFYNFYPEYVVGLQWMGDNYVFIEGDDLVFNKANGKSAQTTRFSAADLNALMPEGCKFQTTDAFPSFRTLDAGRGLVVLFTQGGLVGFDMLARKVTYLFDTNEETASLDFSPVGDRVAYVRNHNLYIARGGKLGEGMSRAIAVTIDGTETLVYGQAVHQREFGIEKGTFWSPKGSCLAFYRMDQSMVKPTPIVDYHPLEAESKPLYYPMAGTPSHHVTVGIYHLATGKTVYLQTGEPKEKFLTNLSWSPDENILYVAEVNRAQNECKVNAYDAETGRFVRTLFVETDKHYVEPLHPLTFLPGSNNQFIWQSRRDGWNHLYLYDTTGRLIRQVTKGEWEVTNFAGFDPKGTRLYFESTEASPLERHFYCIDIKGGKTKDLTPESGMHRTQLSPDGSAIIDIFQSPTVPRKVTVTNIGKGSHTLLEAKNPDTGYAMPEIRTGTIMAADGQTPLYYKLTMPLHFDPAKKYPVIVYVYGGPHAQLVTKTWRSSVGGWDIYMAQKGYAVFTVDSRGSANRGAAFEQVIHRRLGQTEMADQMCGVDFLKSQSWVDADRIGVHGWSYGGFMTTNLMLTHGDVFKVGVAGGPVIDWNRYEIMYGERYFDAPQENPEGYDAANLLKRAGDLKGRLMLIHGAIDPVVVWQHSLLFLDACVKARTYPDYYVYPSHEHNVMGPDRVHLYETITRYFTDHL,C[C@H](N=C(O)CN)C(=O)N1CCC[C@H]1C(O)=Nc1ccc2ccccc2c1.O,C[C@H](N=C(O)CN)C(=O)N1CCC[C@H]1C(O)=Nc1ccc2ccccc2c1.O,C[C@H](N=C(O)CN)C(=O)N1CCC[C@H]1C(O)=Nc1ccc2ccccc2c1.O>>C[C@H](N=C(O)CN)C(=O)N1CCC[C@H]1C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,2.708420900134713,,,s_04a178a70f8bf36ffee4f0c0,test
catpreddb_kcat_kcat_685bff7790bd2d,catpred_iteration1_kcat,kcat,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,N=C(N)NCCC[C@@H](N)C(=O)O.O.O=O,N=C(N)NCCC[C@@H](N)C(=O)O.O.O=O,N=C(N)NCCC[C@@H](N)C(=O)O.O.O=O>>N.N=C(N)NCCCC(=O)C(=O)O.OO,public_strict_iteration1_fulltrue_msa,1.658964842664435,,,s_d9fe73494ede26238d4e9e26,test
catpreddb_kcat_kcat_688a9526f9b546,catpred_iteration1_kcat,kcat,A0A4Y5R9F4,A0A4Y5R9F4,MAPSIFSDEPQHGNTTKPYSHDPSASTPASSQQNGNTPHDQNGSSCVVDKKKGRHAGAGHKSILQSDALYQYVLETSVYPRENPYQRELREITEKHPWNLMTTPPDEGQFLMLLMKLINAKNTMELGVYTGYSLLSTALALPDDGKIIAMDINRENYELGAPVIEKAGLSHKVDFREGLILPQLDEMLLEERNLGFFDFIFVDADKDNYVKYHERLIKLVKVGGVIGYDNTLWNGSLVAPEDAPYPKYICHYRPFVLELNRVLAGDKRIEISQVPIGDGLTLCRRIK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12>>COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,,,s_99bb8b4a9f1f4ed06cb0729c,test
catpreddb_kcat_kcat_688eb2e26ddfc4,catpred_iteration1_kcat,kcat,A5HII1,A5HII1,MGLPKSFVSMSLLFFSTLLILSLAFNAKNLTQRTNDEVKAMYESWLIKYGKSYNSLGEWERRFEIFKETLRFIDEHNADTNRSYKVGLNQFADLTDEEFRSTYLGFTSGSNKTKVSNRYEPRVGQVLPSYVDWRSAGAVVDIKSQGECGGCWAFSAIATVEGINKIVTGVLISLSEQELIDCGRTQNTRGCNGGYITDGFQFIINNGGINTEENYPYTAQDGECNLDLQNEKYVTIDTYENVPYNNEWALQTAVTYQPVSVALDAAGDAFKHYSSGIFTGPCGTAIDHAVTIVGYGTEGGIDYWIVKNSWDTTWGEEGYMRILRNVGGAGTCGIATMPSYPVKYNNQNHPKPYSSLINPPAFSMSKDGPVGVDDGQRYSA,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1.O,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1.O,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1.O>>NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.631443769013172,,,s_239c32671c5506cdb591582f,test
catpreddb_kcat_kcat_68a083d14c73e6,catpred_iteration1_kcat,kcat,J9XQS6,J9XQS6,MPSLRPVVIVGGGGQMGRLFEKMLTLSGYQVRILEQHDWDRAADIVADAGMVIVSVPIHVTEQVIGKLPPLPKDCILVDLASVKEFVARVLAEALPGVAVIPAHPVAGTERSGPDSGFASLFRNRWCIITPPADADPAKLEALSALWQTLGAKVEIMDARHHDMVLAVTSHLPHLIAYTIVGTASDLEGVTESEVIKYSAGGFRDFTRIAASDPTMWRDVFLSNRDAVLDMLQRFTEDLTALQKAIRVGDGQQLFDHFTRTRAIRRSIIELGQDDDRPDFGRSDHGG,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,1.0034605321095065,,,s_72bfd3cbda2a9cbbfac3b248,test
catpreddb_kcat_kcat_68b121dacd0db6,catpred_iteration1_kcat,kcat,Q12189,Q12189,MAAGVPKIDALESLGNPLEDAKRAAAYRAVDENLKFDDHKIIGIGSGSTVVYVAERIGQYLHDPKFYEVASKFICIPTGFQSRNLILDNKLQLGSIEQYPRIDIAFDGADEVDENLQLIKGGGACLFQEKLVSTSAKTFIVVADSRKKSPKHLGKNWRQGVPIEIVPSSYVRVKNDLLEQLHAEKVDIRQGGSAKAGPVVTDNNNFIIDADFGEISDPRKLHREIKLLVGVVETGLFIDNASKAYFGNSDGSVEVTEK,O=P(O)(O)OCC1OC(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C1O>>O=C(CO)C(O)C(O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,2.814913181275074,0.250420002308894,,s_2efa302e5081a19b90c62cc2,test
catpreddb_kcat_kcat_68b7103c7d256c,catpred_iteration1_kcat,kcat,P9WPH3,P9WPH3,MPDVDWNMLRGNATQAAAGAYVPYSRFAVGAAALVDDGRVVTGCNVENVSYGLTLCAECAVVCALHSTGGGRLLALACVDGHGSVLMPCGRCRQVLLEHGGSELLIDHPVRPRRLGDLLPDAFGLDDLPRERR,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.O>>N.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1,public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_f1eb084b8a8d2f00d2fe360b,test
catpreddb_kcat_kcat_68da0564486067,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.3263358609287514,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_68ea5b083b1b95,catpred_iteration1_kcat,kcat,P9WQB5,P9WQB5,MSIEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRGRGFLEGRYDDLRPGLRMNIIANPGIPKANFELWSFAVSAINGCSHCLVAHEHTLRTVGVDREAIFEALKAAAIVSGVAQALATIEALSPS,CC(C)(OO)c1ccccc1,CC(C)(OO)c1ccccc1,CC(C)(OO)c1ccccc1>>CC(C)(O)c1ccccc1.O,public_strict_iteration1_fulltrue_msa,-1.1739251972991736,-1.2839966563652008,,s_a7bfba343bd56c4b51ed01f6,test
catpreddb_kcat_kcat_68f557f0a9539a,catpred_iteration1_kcat,kcat,A0JC77,A0JC77,MAPNAPFARSLRLQRLHHHDPDRLFIVPLDHSITDGPLSRAHRLDPLVGELASHHVDGIVLHKGSLRHVDPEWFTRTSLIVHLSASTVHAPDPNAKYLVSSVEESLRMGADAVSVHVNLGSEGERHQIADMAAVAEACDRWNVPLLAMMYPRGPKIDDPRDPALVAHAVQVAVDLGADLVKTLYVGSVAAMAEITAASPVPVVVVGGPRDSDESRILAYVDDALRGGAAGVAMGRNVFQAPDPGAMADKLSDLIHNSGTRGAARAPAGAAAGAA,NC(CC=O)C(=O)O.O=C(CO)COP(=O)(O)O,NC(CC=O)C(=O)O.O=C(CO)COP(=O)(O)O,NC(CC=O)C(=O)O.O=C(CO)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_6ed69a3db6fe87e936fb4ce0,test
catpreddb_kcat_kcat_68f6118a2b2d9f,catpred_iteration1_kcat,kcat,Q9FMT1,Q9FMT1,MAAFLQTNISLNAIKIVPGKYSSLTDHQFRAPYRIRCAAASPGKKRYNIALLPGDGIGPEVISVAKNVLQKAGSLEGLEFDFKEMPVGGAALDLVGVPLPEETFTAAKLSDAILLGAIGGYKWDKNEKHLRPEMALFYLRRDLKVFANLRPATVLPQLVDASTLKKEVAEGVDMMIVRELTGGIYFGEPRGITINENGEEVGVSTEIYAAHEIDRIARVAFETARKRRGKLCSVDKANVLDASILWRKRVTALASEYPDVELSHMYVDNAAMQLIRDPKQFDTIVTNNIFGDILSDEASMITGSIGMLPSASLGESGPGLFEPIHGSAPDIAGQDKANPLATILSAAMLLKYGLGEEKAAKRIEDAVVDALNKGFRTGDIYSPGNKLVGCKEMGEEVLKSVESKVPATV,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)[C@H](C(=O)O)C(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,0.9566485792052032,,,s_432bb4b606ec423ec0d88ead,test
catpreddb_kcat_kcat_68fa777f94565f,catpred_iteration1_kcat,kcat,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,CC(=O)C(O)C(O)COP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(O)C(O)COP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(O)C(O)COP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)(CO)C(O)COP(=O)(O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,6.0,,,s_27015adbfee76024dda17db7,test
catpreddb_kcat_kcat_68fb22665170d6,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4CC1)[C@@H]32.O,CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4CC1)[C@@H]32.O,CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4CC1)[C@@H]32.O>>CC1(C)C(C=C(Cl)Cl)C1C(=O)[O-].O=Cc1cccc(Oc2ccccc2)c1.[C-]#N,public_strict_iteration1_fulltrue_msa,0.4099331233312945,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_694ac4d703fa26,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.2833012287035495,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_695e561701ff65,catpred_iteration1_kcat,kcat,A0A385MQ73,A0A385MQ73,MTNLAPLTWQDCVQPDWQVSPRVRALITTRDGGVSEGPYGRWQGAEALPGGMNLGLHTGDDPAHVAGNRARLLALAGQSSAAWLEQVHGAQIVRADEVIAAAPAALAPVQADASVTDRAGAVCVVMVADCLPVLLCDTQGRAVGAAHAGWRGLAAGIVEQTAARVAALAGGATDALHAYLGPATGPRAFEVGADVRDAFLDTAPQSEHDETRLAFVAIDGAPGKFLADLYALARLRLARAGVAHVSGGTACTVTEQARFYSYRRDRVTGRMAAAIWLAG,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>CCn1/c(=N/N=C2/Sc3cc(S(=O)(=O)[O-])ccc3[N+]2CC)sc2cc(S(=O)(=O)[O-])ccc21.O,public_strict_iteration1_fulltrue_msa,2.791999246255475,,,s_948ccaa461e967d2a5ceae33,test
catpreddb_kcat_kcat_697c515ce6dcde,catpred_iteration1_kcat,kcat,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.N[C@@H](CCC(=O)O)C(=O)O.O=C=O.O=O,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.N[C@@H](CCC(=O)O)C(=O)O.O=C=O.O=O,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.N[C@@H](CCC(=O)O)C(=O)O.O=C=O.O=O>>C/C(=C/CC12OC1(C)C(=O)c1ccccc1C2=O)CCCC(C)CCCC(C)CCCC(C)C.N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O.O,public_strict_iteration1_fulltrue_msa,0.0,,,s_758b68a2c36468550d799726,test
catpreddb_kcat_kcat_6981d79743d5af,catpred_iteration1_kcat,kcat,A3MV85,A3MV85,MDKINSRALYTPMHILTFQNALDIAEHFEGLGKVVQVEERTFPDGEVLVRVPEAGPVVVLVARLYPGVNDSVFKLFLALDALNDMGVGRVVVVAPYLPYARQDRRFRPGEPISAKALLKTLANLSVGALVAVDLHKPYIADYVPRVAVRNVYPAEEFAERLKGVDAVVSPDFGSLHRAEAVARILGVPYTYFEKYRDRETGAITLMPRRDLELRGARVAIVDDILSTGGTLVDACKAARTLGASEVYAAVTHCQLLKDAREKAKSCVDRLICTDSILNEFAEVKVGPLLRREVEKLL,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.492760389026837,,,s_283d14df641eda865e178887,test
catpreddb_kcat_kcat_69885f19b75ce6,catpred_iteration1_kcat,kcat,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.Nc1ncnc2c1ncn2C1CC(O)C(CO)O1>>Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,-0.2076083105017461,,,s_006f723d5d8d505a1b6694d0,test
catpreddb_kcat_kcat_69cebe092a29d4,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O>>Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.9684829485539352,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_69d2aff8304def,catpred_iteration1_kcat,kcat,A8CF75,A8CF75,MDDNRIRSILVLGGGTAGWMSACYLSKALGPGVEVTVLEAPSISRIRVGEATIPNLHKVFFDFLGIAEDEWMRECNASYKAAVRFVNWRTPGDGQATPRRRPDGRPDHFDHLFGQLPEHENLPLSQYWAHRRLNGLTDEPFDRSCYVQPELLDRKLSPRLMDGTKLASYAWHFDADLVADFLCRFAVQKLNVTHVQDVFTHADLDQRGHITAVNTESGRTLAADLFIDCSGFRSVLMGKVMQEPFLDMSKHLLNDRAVALMLPHDDEKVGIEPYTSSLAMRSGWSWKIPLLGRFGSGYVYSSQFTSQDEAAEELCRMWDVDPAEQTFNNVRFRVGRSRRAWVRNCVAIGVSAMFVEPLESTGLYFSYASLYQLVKHFPDKRFRPILADRFNREVATMYDDTRDFLQAHFSLSPRDDSEFWRACKELPFADGFAEKVEMYRAGLPVELPVTIDDGHYYGNFEAEFRNFWTNSNYYCIFAGLGFLPEHPLPVLEFRPEAVDRAEPVFAAVRRRTEELVATAPTMQAYLRRLHQGT,Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O.O=O.[Cl-].[H+],Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O.O=O.[Cl-].[H+],Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O.O=O.[Cl-].[H+]>>Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C.N[C@@H](Cc1c[nH]c2c(Cl)c(Cl)ccc12)C(=O)O.O,public_strict_iteration1_fulltrue_msa,-2.920818753952376,,,s_f4c790e7db1bc2c27610f0c9,test
catpreddb_kcat_kcat_6a149c53cd2d29,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-1.0,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_6a3412c5c00a85,catpred_iteration1_kcat,kcat,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O>>O,public_strict_iteration1_fulltrue_msa,2.778151250383644,,,s_156ab3956782e3458257c298,test
catpreddb_kcat_kcat_6a3d326c011857,catpred_iteration1_kcat,kcat,P00557,P00557,MKKPELTATSVEKFLIEKFDSVSDLMQLSEGEESRAFSFDVGGRGYVLRVNSCADGFYKDRYVYRHFASAALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLPETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTDNGRITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHPELAGSPRLRAYMLRIGLDQLYQSLVDGNFDDAAWAQGRCDAIVRSGAGTVGRTQIARRSAAVWTDGCVEVLADSGNRRPSTRPRAKE,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_eac8227e88a870211484bad2,test
catpreddb_kcat_kcat_6a3f40db43574d,catpred_iteration1_kcat,kcat,Q9WZC3,Q9WZC3,MKSLGRHLVAEFYECDREVLDNVQLIEQEMKQAAYESGATIVTSTFHRFLPYGVSGVVVISESHLTIHTWPEYGYAAIDLFTCGEDVDPWKAFEHLKKALKAKRVHVVEHERGRYDEIGIPEDSPHKAAV,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C=O,public_strict_iteration1_fulltrue_msa,0.0,-1.0969100130080565,,s_3e266db66beb0eb90d6fff4f,test
catpreddb_kcat_kcat_6a676d211f5909,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-1.6777807052660807,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_6a67f0ff321560,catpred_iteration1_kcat,kcat,Q9I5F3,Q9I5F3,MSRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAVTEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFSVPSGLKAWIDQIVRLGVTFDFVLDNGVAQYRPLLRGKRALIVTSRGGHGFGPGGENQAMNHADPWLRTALGFIGIDEVTVVAAEGEESGGRSFEDSCDEAEQRLLALARSA,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CN(C)c1ccc(N)cc1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ccccc1C(=O)O,public_strict_iteration1_fulltrue_msa,1.1038037209559568,,,s_b4a31a08446712d2d07ed420,test
catpreddb_kcat_kcat_6ab1cc41018e23,catpred_iteration1_kcat,kcat,P76422,P76422,MKRINALTIAGTDPSGGAGIQADLKTFSALGAYGCSVITALVAQNTRGVQSVYRIEPDFVAAQLDSVFSDVRIDTTKIGMLAETDIVEAVAERLQRYQIQNVVLDTVMLAKSGDPLLSPSAVATLRSRLLPQVSLITPNLPEAAALLDAPHARTEQEMLEQGRSLLAMGCGAVLMKGGHLDDEQSPDWLFTREGEQRFTAPRIMTKNTHGTGCTLSAALAALRPRHTNWADTVQEAKSWLSSALAQADTLEVGHGIGPVHHFHAWW,Cc1ncc(CO)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1ncc(CO)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1ncc(CO)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.5451551399914898,,,s_4eeba747cc3fcec30cbea4f3,test
catpreddb_kcat_kcat_6aef6efc324e49,catpred_iteration1_kcat,kcat,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,O.O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.6989700043360187,,,s_577e1452403bbeb8c4453dd0,test
catpreddb_kcat_kcat_6af1cdaf7853b6,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.6589648426644352,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_6b00929a0797ed,catpred_iteration1_kcat,kcat,A0A165SC98,A0A165SC98,MKGKLKLFLAVGAISVIVAGCANANSQNGMKGTDQPKMNMGDSQQNTSQNKEQSGDMKLTQATPVADGKEFTITAQASNLKVSDDVTLPVWTFNNSVPGPQIRVKVGDTVKVKLKNELEEPVSIHWHGYPVPNNMDGIPGVTQDAVAAGKEFTYEFKATVPGTYWYHSHQDSVNQLDKGLYGTLIVEDPSESYDRDYTIVLDEWMSSGEMDMSNNEDMEGMDHSQMDMGDTSNNEDMQGMDHSQMDMGNTSNNEDMEGMDHSQMDMGDTSNMTEMAGHDMSMYDVYTMNGKTGDAIDKLTVKKGDKVRIRLVNAGYITHTIHLHGHEFKVIASDGQPVNSPAVITDQGIAIAPGERYDLEFTANNPGSWLLEEHGKEDRVKNMRAVIEYEGVPDRPDASNANEELPTFDLTKYGQQARTNFSLDQKFDQDVKLDLNTEMKAGEMVYTINGKLFPDTDPIKVDKGDKVKVTFVNNSKTDDHPMHLHGHFFQVLSKNGKPLEGTPVIKDTLNVKPGEEYVVAFEADNPGDWMFHCHDLHHASAGMVTDVMYNGYNSNYTPDPTVGNKPE,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>CCn1/c(=N/N=C2/Sc3cc(S(=O)(=O)[O-])ccc3[N+]2CC)sc2cc(S(=O)(=O)[O-])ccc21.O,public_strict_iteration1_fulltrue_msa,3.146128035678238,,,s_e65e1a798563d1746dac7cca,test
catpreddb_kcat_kcat_6b0aa16b97bf0f,catpred_iteration1_kcat,kcat,P0CH36,P0CH36,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCc1ccccc1,public_strict_iteration1_fulltrue_msa,1.506505032404872,,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_kcat_kcat_6b348c82159d21,catpred_iteration1_kcat,kcat,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,-0.0969100130080563,,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_kcat_kcat_6b50ab3f179e08,catpred_iteration1_kcat,kcat,Q9XFX4,Q9XFX4,MGTPIKASLLALFLFFLLSPTAFSVSNGGLLRVGLKKRKVDRLDQLRAHGVHMLGNARKDFGFRRTLSDSGSGIVALTNDRDTAYYGEIGIGTPPQNFAVIFDTGSSDLWVPSTKCDTSLACVIHPRYDSGDSSTYKGNGTTASIQYGTGAIVGFYSQDSVEVGDLVVEHQDFIETTEEDDTVFLKSEFDGILGLGFQEISAGKAVPVWYNMVNQGLVEEAVFSFWLNRNVDEEEGGELVFGGVDPNHFRGNHTYVPVTRKGYWQFEMGDVLIGDKSSGFCAGGCAAIADSGTSFFAGPTAIITQINQAIGAKGVLNQQCKTLVGQYGKNMIQMLTSEVQPDKICSHMKLCTFDGAHDVRSMIESVVDKNNDKSSGGEICTFCEMALVRMQNEIKRNETEDNIINHVNEVCDQLPTSSAESIVDCNGISSMPNIAFTIGSKLFEVTPEQYIYKVGEGEAATCISGFTALDIMSPQGPIWILGDMFMGPYHTVFDYGKLRVGFAEAV,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)OC.O,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)OC.O,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)OC.O>>,public_strict_iteration1_fulltrue_msa,1.9355072658247128,,,s_494edfccab5df5c67645574b,test
catpreddb_kcat_kcat_6b53e5b9742671,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)OCc1ccccc1,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)OCc1ccccc1,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)OCc1ccccc1>>O=C(OCCCc1ccncc1)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_6b59a05034c118,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>N=C(N)NCCC[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.3463529744506386,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_6b5dac49f319d4,catpred_iteration1_kcat,kcat,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.3074960379132129,,,s_9cc6c1623917d877b3099a50,test
catpreddb_kcat_kcat_6b6fc9b2b3fd06,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,-1.3979400086720375,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_6b701201485007,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>O=P(O)(O)O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,2.0755469613925306,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_6b9b8e50ecfb64,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>CC(C)C[C@H](N)C(=O)O.CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_6b9bff6f1d630f,catpred_iteration1_kcat,kcat,P0AFG8,P0AFG8,MSERFPNDVDPIETRDWLQAIESVIREEGVERAQYLIDQLLAEARKGGVNVAAGTGISNYINTIPVEEQPEYPGNLELERRIRSAIRWNAIMTVLRASKKDLELGGHMASFQSSATIYDVCFNHFFRARNEQDGGDLVYFQGHISPGVYARAFLEGRLTQEQLDNFRQEVHGNGLSSYPHPKLMPEFWQFPTVSMGLGPIGAIYQAKFLKYLEHRGLKDTSKQTVYAFLGDGEMDEPESKGAITIATREKLDNLVFVINCNLQRLDGPVTGNGKIINELEGIFEGAGWNVIKVMWGSRWDELLRKDTSGKLIQLMNETVDGDYQTFKSKDGAYVREHFFGKYPETAALVADWTDEQIWALNRGGHDPKKIYAAFKKAQETKGKATVILAHTIKGYGMGDAAEGKNIAHQVKKMNMDGVRHIRDRFNVPVSDADIEKLPYITFPEGSEEHTYLHAQRQKLHGYLPSRQPNFTEKLELPSLQDFGALLEEQSKEISTTIAFVRALNVMLKNKSIKDRLVPIIADEARTFGMEGLFRQIGIYSPNGQQYTPQDREQVAYYKEDEKGQILQEGINELGAGCSWLAAATSYSTNNLPMIPFYIYYSMFGFQRIGDLCWAAGDQQARGFLIGGTSGRTTLNGEGLQHEDGHSHIQSLTIPNCISYDPAYAYEVAVIMHDGLERMYGEKQENVYYYITTLNENYHMPAMPEGAEEGIRKGIYKLETIEGSKGKVQLLGSGSILRHVREAAEILAKDYGVGSDVYSVTSFTELARDGQDCERWNMLHPLETPRVPYIAQVMNDAPAVASTDYMKLFAEQVRTYVPADDYRVLGTDGFGRSDSRENLRHHFEVDASYVVVAALGELAKRGEIDKKVVADAIAKFNIDADKVNPRLA,CC(=O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,CC(=O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,CC(=O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1>>CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C=O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,1.5786392099680724,,,s_bf43e86a2f3fadbc4bd9c8e6,test
catpreddb_kcat_kcat_6bed1639d06cd9,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>CC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,2.8195439355418688,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_6c053abb5f14c0,catpred_iteration1_kcat,kcat,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])c1ccc(CO)cc1,public_strict_iteration1_fulltrue_msa,1.549003262025788,,,s_2764a837703abb2f4c81a0d2,test
catpreddb_kcat_kcat_6c575163fe54db,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O>>,public_strict_iteration1_fulltrue_msa,-1.9318141382538383,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_6c5c27c0deaf0e,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+]>>,public_strict_iteration1_fulltrue_msa,-0.0087739243075051,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_6c6756b24647a7,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-2.356547323513813,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_6c8509c5c938ea,catpred_iteration1_kcat,kcat,Q08015,Q08015,MTVRQRLLSYFFNRLRMNYPQILSPVLNFLHCPTPQAWIVQARDPQNLPLLLTDHLICELKAAQTALLLVRKYVADKSGADALLSWLQPYEAFAFRQGPEPDFVALHKQISKSAMPQTDDPWGRQLIDRMVLLIKEELHHFWQVREVMQARNIPYVKITASRYAKGMLKAVRTHEPLTLIDKLICGAYIEARSCERFAALAPWLDEDLQTFYLSLLRSEARHYQDYLALAQQISAEDISARVRYFGEVEADLILSPDREFRFHSGVPAAG,CC(C)=CCNc1ncnc2c1ncn2C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.O=O,CC(C)=CCNc1ncnc2c1ncn2C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.O=O,CC(C)=CCNc1ncnc2c1ncn2C(=O)[C@@H](N)Cc1c[nH]c2ccccc12.O=O>>O,public_strict_iteration1_fulltrue_msa,-1.0,,,s_aebaa286ee6eb18309e27208,test
catpreddb_kcat_kcat_6ca5f3a63a1547,catpred_iteration1_kcat,kcat,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O.O>>,public_strict_iteration1_fulltrue_msa,1.0413926851582251,,,s_48d0e57876a633501632a01a,test
catpreddb_kcat_kcat_6caabded2e2bfe,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_6cae7bcd666867,catpred_iteration1_kcat,kcat,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1ncnc2[nH]cnc12,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1ncnc2[nH]cnc12,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O.Oc1ncnc2[nH]cnc12>>O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.0530784434834196,,,s_819c9375ca8203a769c0057f,test
catpreddb_kcat_kcat_6cc44b6a75db48,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2C1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.406540180433955,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_6cf14b3e800930,catpred_iteration1_kcat,kcat,Q5MYT4,Q5MYT4,MSKLSLTLSALFGGAGLLLSSAAAFAAPACSAWSNAQTYNGGDYALYANKTWRAKWWTQNNQPGADQWGPWEERPASECTPGGGDPGPGPGTGVPPEPTPTVGRHVGSYFAQWSIYGRNYKLRNLVDAGGDKKLTFLNYAFGNVYADGKCGMVTRAENGNGDGGDAWADYQKSFGANESVDGKADSWSDPLRGNFNQLRKLKLANPSLKVLISLGGWTWSKNFGKFAATDAGRKTMVASCIDLYLKGNLPVGENAGGAGAAKGVFDGIDIDWEYPGGGGLPSNSVDPNDKQNFTLLMAEFRSQLDALTAQNKRRYYLTAAIGSGVDKIRQTEPAKYAAYMDWINVMTYDFNGGWDAKGPTNFQSNLFRDPAAPVTGDRVYYNVDDSIQTLVKAGVPKTKLNVGIPFYGRGWAGVAAGPKGDGLYQVATGAGKGTYEAGIEDYKVLKTRSAKQFVHPVSKQLWTYDGNEFWSYDDPATIRTKLDYVRQQQLGGVFSWSLDGDDAQGSLLKTTSEVRQDAAAAKKKAAAKTSAASPLK,CC(O)=N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)O)[C@@H]1O.O,CC(O)=N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)O)[C@@H]1O.O,CC(O)=N[C@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(=O)O)[C@@H]1O.O>>CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.Cc1cc(=O)oc2cc(O)ccc12,public_strict_iteration1_fulltrue_msa,1.255272505103306,,,s_f1fae1db0af054682e1851c0,test
catpreddb_kcat_kcat_6d313965557f32,catpred_iteration1_kcat,kcat,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,-2.869666231504994,,,s_0424465e822fd7a94a631a04,test
catpreddb_kcat_kcat_6d6bc0489b1e16,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.9542425094393248,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_6df3b7dfa08f90,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@H](CCCNC(=N)N)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_6e36f7959a7604,catpred_iteration1_kcat,kcat,Q70GK9,Q70GK9,MAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSGAGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFYSREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVSAIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADAGEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEAR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CBr)[C@@H](O)[C@H]1O.[F-],Nc1ncnc2c1ncn2[C@@H]1O[C@H](CBr)[C@@H](O)[C@H]1O.[F-],Nc1ncnc2c1ncn2[C@@H]1O[C@H](CBr)[C@@H](O)[C@H]1O.[F-]>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O.[Br-],public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_54d0045dd302676c073cb3d0,test
catpreddb_kcat_kcat_6e746459912f15,catpred_iteration1_kcat,kcat,P52789,P52789,MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.8432327780980096,,,s_25c30a5c1a74e65251e97a3f,test
catpreddb_kcat_kcat_6e8c4e92fc25ca,catpred_iteration1_kcat,kcat,A0A075BSX9,A0A075BSX9,MTEKIYDAIVVGAGFSGLVAARELSAQGRSVLIIEARHRLGGRTHVVNFLGRPVEIGGAGVHWCQPHVFAEMQRYGFGFKEAPLADLDKAYMVFADGQKIDVPPATFDEEYTTAFEKFCSRSRELFPRPYSPLDNHEVSNLDGVSARDHLESLGLNELQLASMNAELTLYGGAPTTELSYPSFVKFHALASWDTITFTDSEKRYHVQGGTNALCQAIFDDCRADSEFGVPVEAVAQTDNGVTVTLADKRVFRALTCVLTLPTKVYADVRFEPPLPPEKRAFIEHAEMADGAELYVHVRQNLGNTFTFCDDPNPFNAVQTYAYDDELGTILKITIGRQSLINLENFDAIAAEIRKIHGDVEVLEALPYNWAMDEYARTSYPAMRKGWFSRYKDMAKPENRLFFAGSATADGWHEYIDGAIESGIRVGREIRHFMKATA,CN1CCC[C@H]1c1cccnc1.O.O=O,CN1CCC[C@H]1c1cccnc1.O.O=O,CN1CCC[C@H]1c1cccnc1.O.O=O>>CN1CCC=C1c1cccnc1.OO,public_strict_iteration1_fulltrue_msa,0.3074960379132129,,,s_f559454f7a41afe33325e9b9,test
catpreddb_kcat_kcat_6e95542c1f132b,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,2.6232492903979003,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_6efafc96bd58f7,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=Cc1cccnc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=Cc1cccnc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=Cc1cccnc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-1.6020599913279625,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_6f0183a1678090,catpred_iteration1_kcat,kcat,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O>>N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.4473317838878068,,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_kcat_kcat_6f143ddc44b38c,catpred_iteration1_kcat,kcat,P00760,P00760,MKTFIFLALLGAAVAFPVDDDDKIVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN,O,O,O>>O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,5.300073495267144,,,s_4212e6c5e472fd686b30c69e,test
catpreddb_kcat_kcat_6f63ae5c6d84ab,catpred_iteration1_kcat,kcat,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN=C(C)O)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,public_strict_iteration1_fulltrue_msa,0.3838153659804312,,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_kcat_kcat_6f76da9bc4ab11,catpred_iteration1_kcat,kcat,P80025,P80025,MWVCLQLPVFLASVTLFEVAASDTIAQAASTTTISDAVSKVKIQVNKAFLDSRTRLKTTLSSEAPTTQQLSEYFKHAKGRTRTAIRNGQVWEESLKRLRRDTTLTNVTDPSLDLTALSWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN,O=NO.OO,O=NO.OO,O=NO.OO>>O,public_strict_iteration1_fulltrue_msa,1.2041199826559248,,,s_075dddbe447157c6c5ffbc4d,test
catpreddb_kcat_kcat_6f7bc02e116d37,catpred_iteration1_kcat,kcat,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O>>COc1cc(/C=C/C(=O)O)cc(OC)c1O.OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_48e9b1367836a0093d7ae75d,test
catpreddb_kcat_kcat_6f8f9ae252a2ae,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCC(=O)O)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.568201724066995,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_6f92dc906508e4,catpred_iteration1_kcat,kcat,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)CO,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)CO,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)CO>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)CO.[H],public_strict_iteration1_fulltrue_msa,1.7481880270062005,,,s_451a9f71732397357584e474,test
catpreddb_kcat_kcat_6fb8f7d212b1d1,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.2068258760318497,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_703d69b2ff5d93,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_705a6c46f05506,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.COc1ccc(N)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.COc1ccc(N)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.COc1ccc(N)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1ccc(N=C(C)O)cc1,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_7074459d51b75e,catpred_iteration1_kcat,kcat,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>N=C(N)NCCC[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.841984804590114,,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_kcat_kcat_707693a7c8558b,catpred_iteration1_kcat,kcat,Q705J0,Q705J0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSWKPGDMRLYANSSIGLFGALTANAAGMPYEQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRTGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O>>,public_strict_iteration1_fulltrue_msa,1.146128035678238,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_7092390c735e42,catpred_iteration1_kcat,kcat,Q9SUC0,Q9SUC0,MAIRRAQTLLCLSKFKTNFVSGSLHRFSSSSQNSNQFQNVGFIGLGNMGFRMVNNLIRAGYKVTVHDINRDVMKMFTEMGVSSRETPYEVAQDSEVVITMLPSSSHVMDVYTGTNGLLLGENDIRPALFIDSSTIDPQTTRKISLAVSNCNLKEKRDNWEKPVMLDAPVSGGVLAAEAGTLTFMVGGPEDAYLAARPILQSMGRTSIYCGGSGNGSAAKICNNLAMAVSMLGTSEALALGQSLGISASTLTEVLNTSSGRCWSSDAYNPVPGVMKGVPSSRDYNGGFASKLMAKDLNLAAASAEEVGHKSPLISKAQEIYKKMCEEGHETKDFSCVFRHFYNGKDEV,CC(CO)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(CO)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(CO)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,0.5352941200427705,,,s_3928aa6b0bbfef3c28d9ea2c,test
catpreddb_kcat_kcat_7101e96c2d5cac,catpred_iteration1_kcat,kcat,C5J3R6,C5J3R6,MATPTIKLNSGYDMPLVGFGLWKVNRETCADQVYEAIKAGYRLFDGACDYGNEVEAGQGVARAIKEGIVKREDLFIVSKLWNTFHEADKVEPIARKQLADWGLDYFDLYLIHFPIALKYVDPAEIYPPGWTGTKKEVEFSNATIQETWQAMETLVDKKLTRSIGISNFSAQLIMDLLRYARIRPATLQIEHHPYLTQQALVEYVQKEGIAVTAYSSFGPLSFLELGHQVAKDTPLLFEHSTVKSIAEKHGKTPAQVLLRWATQRNIAVIPKSNNPGRLAQNLDVTAWDLEPADIEALSALNKNLRFNNPPSYGLYIPIFA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC1OC[C@@H](O)[C@H](O)[C@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC1OC[C@@H](O)[C@H](O)[C@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC1OC[C@@H](O)[C@H](O)[C@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,5.510545010206612,,,s_62555097f732fd455d7734ac,test
catpreddb_kcat_kcat_7131f0297cf790,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,O[C@@H](CCl)c1ccccc1,O[C@@H](CCl)c1ccccc1,O[C@@H](CCl)c1ccccc1>>Cl.c1ccc(C2CO2)cc1,public_strict_iteration1_fulltrue_msa,1.08278537031645,-0.431798275933005,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_7147ce01d52ff0,catpred_iteration1_kcat,kcat,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CCO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CCO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CCO>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CO.[H+],public_strict_iteration1_fulltrue_msa,1.568201724066995,,,s_132f66001f653d7ed2ddbe90,test
catpreddb_kcat_kcat_71682276904761,catpred_iteration1_kcat,kcat,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.NCC(=O)O.O,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.NCC(=O)O.O,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.NCC(=O)O.O>>N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2.N[C@@H](CO)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.7258421507363202,,,s_08e94d00e198158ed1db5b76,test
catpreddb_kcat_kcat_716ad01494bcf3,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,N[C@@H](Cc1ccccc1)C(O)=Nc1ccc2ccccc2c1.O,N[C@@H](Cc1ccccc1)C(O)=Nc1ccc2ccccc2c1.O,N[C@@H](Cc1ccccc1)C(O)=Nc1ccc2ccccc2c1.O>>N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.8721562727482928,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_7176cc4f5847ea,catpred_iteration1_kcat,kcat,Q9RUB5,Q9RUB5,MNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFFDPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV,CC(=O)C(=O)O.COc1ccc2ccc(O)c(N=O)c2c1,CC(=O)C(=O)O.COc1ccc2ccc(O)c(N=O)c2c1,CC(=O)C(=O)O.COc1ccc2ccc(O)c(N=O)c2c1>>COc1ccc2ccc(O)c(N(O)C(C)=O)c2c1.O=C=O,public_strict_iteration1_fulltrue_msa,0.8692317197309762,,,s_6a1c7eefe6967fc0409ab45c,test
catpreddb_kcat_kcat_7188786a441436,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)N1CCC(O)[C@H]1C(=N)O)C(C)C)C(C)C.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)N1CCC(O)[C@H]1C(=N)O)C(C)C)C(C)C.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)N1CCC(O)[C@H]1C(=N)O)C(C)C)C(C)C.O>>CC[C@H](C)[C@H](N)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)N1CCC(O)[C@H]1C(=N)O)C(C)C)C(C)C.N=C(O)CC[C@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=NCC(=O)O,public_strict_iteration1_fulltrue_msa,-0.2924298239020636,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_7195bfb13ab0d4,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@@H](N)CC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].N=C(O)C[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O,public_strict_iteration1_fulltrue_msa,-0.2218487496163563,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_71cdc52a5ea404,catpred_iteration1_kcat,kcat,Q7X9A9,Q7X9A9,MMAAKGSVVVGVLAIVAYALVVSEVAIAAQISSFNRTSFPDGFVFGAASSAYQFEGAAKEGGKGPNIWDTFTHEFPGKISNGSTGDVADDFYHRYKEDVKVLKFIGLDGFRMSISWARVLPRGKLSGGVNKEGIAFYNNVINDLLSKGIQPFITIFHWDLPQALEDEYGGFLSPHIVNDFRDFAELCFKEFGDRVKHWITMNEPWSYSYGGYDAGLLAPGRCSAFMAFCPKGNSGTEPYIVTHNLLLSHAAAVKLYKEKYQAYQKGQIGITLVTYWMIPYSNSKADKDAAQRALDFMYGWFIEPLSFGEYPKSMRRLVGKRLPRFTKEQAMLVKGSFDFLGLNYYIANYVLNVPTSNSVNLSYTTDSLSNQTAFRNGVAIGRPTGVPAFFMYPKGLKDLLVYTKEKYNDPVIYITENGMGDNNNVTTEEGIKDPQRVYFYNQHLLSLKNAIAAGVKVKGYFTWAFLDNFEWLSGYTQRFGIVYVDFKDGLKRYPKHSALWFKKFLLK,O.O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O>>OC1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O.OCCc1ccccc1,public_strict_iteration1_fulltrue_msa,1.640481436970422,,,s_1b717c1b1b8af20d863e8098,test
catpreddb_kcat_kcat_71ee9a7c698b75,catpred_iteration1_kcat,kcat,P9WPY7,P9WPY7,MSTNEGSLWGGRFAGGPSDALAALSKSTHFDWVLAPYDLTASRAHTMVLFRAGLLTEEQRDGLLAGLDSLAQDVADGSFGPLVTDEDVHAALERGLIDRVGPDLGGRLRAGRSRNDQVAALFRMWLRDAVRRVATGVLDVVGALAEQAAAHPSAIMPGKTHLQSAQPILLAHHLLAHAHPLLRDLDRIVDFDKRAAVSPYGSGALAGSSLGLDPDAIAADLGFSAAADNSVDATAARDFAAEAAFVFAMIAVDLSRLAEDIIVWSSTEFGYVTLHDSWSTGSSIMPQKKNPDIAELARGKSGRLIGNLAGLLATLKAQPLAYNRDLQEDKEPVFDSVAQLELLLPAMAGLVASLTFNVQRMAELAPAGYTLATDLAEWLVRQGVPFRSAHEAAGAAVRAAEQRGVGLQELTDDELAAISPELTPQVREVLTIEGSVSARDCRGGTAPGRVAEQLNAIGEAAERLRRQLVR,N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O,N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O,N=C(NCCC[C@H](N)C(=O)O)N[C@@H](CC(=O)O)C(=O)O>>N=C(N)NCCC[C@H](N)C(=O)O.O=C(O)/C=C/C(=O)O,public_strict_iteration1_fulltrue_msa,1.165244326125311,-0.9507819773298184,,s_6094fa3047338fb0189797d1,test
catpreddb_kcat_kcat_71f301334e2f15,catpred_iteration1_kcat,kcat,Q485S0,Q485S0,MTKNIAQAAVKFEQWQPKIEQESYLTINSLECHTGGEPLRIITSGFPVLKGNTILAKANDCKQNYDQLRRALMFEPRGHADMYGAIITDAERDDSHFGAVFIHNEGYSSMCGHAVIALTKTAVESGVVARTGDVTQVVIDVPCGQIYAMAYSHNNVVKHVSFQCVPSFVYAKDQQVEVDGIGMVQFDIAYGGAFYAYVQASSLGLSLVPEQQEKLIAYGRKIKQAIIPQFEINHPTTAELSFLYGVIFIDDSPNQDVHSRNVCIFADGELDRSPTGSGVSGRIALHHAKQQIVLNETITIESILASSFSVRAIETVCFAGFDAVIPEVTGDAYVCGKGQWFINAEDPLKYGFLLR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@@H]1CCCN1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@@H]1CCCN1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@@H]1CCCN1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=NCCC1.[H+],public_strict_iteration1_fulltrue_msa,0.0043213737826425,,,s_eaed4ec956fe64c490e4e848,test
catpreddb_kcat_kcat_71f52c95160a0e,catpred_iteration1_kcat,kcat,Q8IKT2,Q8IKT2,MCDIGLIGLAVMGQNLSLNISSKGFKIGVYNRTYERTEETMKRAKEENLVVYGYKTVEELINNLKKPRKVILLIKAGPAVDENISNILKHFEKGDIIIDGGNEWYINSERRIKLCKEKDVEYLAMGVSGGEAGARYGCSFMPGGSKYAYDCVKEILEKCSAQVGNSPCVTYIGPGSSGNYVKMVHNGIEYGDMQLISESYVIMKHILKYDNQKLSEVFNKWNEGILNSYLIEITANILAKKDDLTNNYLVDMILDIAGAKGTGKWTMLEATERGIPCPTMCAALDARNISVFKELRTKAESNFNKDNILIDPNEDLNDFENDLLNALYCCKIISYTQGLFLLKQVSEEMNWKLNLGEIARIWRGGCIIRAVFLDRIANAYKNNEKLELLFLDNEFSDDIKNKLPSLRKIVLMATKYSIPIPAFSASLAYFQMVTSQNLPLNLVQAQRDYFGSHTYRRTDREGNYHTLW,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,0.8512583487190752,,,s_eb4e3e3c4d3c05fc8a07c388,test
catpreddb_kcat_kcat_71f62fcdb152ff,catpred_iteration1_kcat,kcat,N0DP12,N0DP12,MARIGIHSFVWSASSAQSELERTLANTRDAGFDLIEFSYLDPADVDIGRLAKRIADLGLGVAISIGLPADGDISSADKAVAARGVEILNQTIALTRDLGGRKVAGILSAGHGLQVEAPTRDQWNRSAAALAKVAETAKAAGVTLNLEIVNRFESNLLNTAAQGLAFIEDTGSDNIFLHLDTFHMNIEEADVGLAIRHAAGKIGYVHIGESHRGFLGTGNIDFAAIFDALTAIGYADDLSFESFSSEIVDENLSKKTAIWRNLWTDNMALAKHARAFIGLGLETARRKAELVSARHKP,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO>>OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-2.2441251443275085,1.763427993562937,,s_00e3b0bef8c1907ff732396c,test
catpreddb_kcat_kcat_722378c2bb455b,catpred_iteration1_kcat,kcat,F7IX06,F7IX06,MSVTTPRRETSLLSRALRATAAAATAVVATVALAAPAQAANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVEEYRSTCPF,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.651278013998144,,,s_e806085a30d0427b3ece1df8,test
catpreddb_kcat_kcat_72548db3be4d63,catpred_iteration1_kcat,kcat,I6YDN6,I6YDN6,MTHSQRRDKLKAQIAASGLDAMLISDLINVRYLSGFSGSNGALLVFADERDAVLATDGRYRTQAASQAPDLEVAIERAVGRYLAGRAGEAGVGKLGFESHVVTVDGLDALAGALEGKNTELVRASGTVESLREVKDAGELALLRLACEAADAALTDLVARGGLRPGRTERQVSRELEALMLDHGADAVSFETIVAAGANSAIPHHRPTDAVLQVGDFVKIDFGALVAGYHSDMTRTFVLGKAADWQLEIYQLVAEAQQAGRQALLPGAELRGVDAAARQLIADAGYGEHFGHGLGHGVGLQIHEAPGIGVTSAGTLLAGSVVTVEPGVYLPGRGGVRIEDTLVVAGGTPKMPETAGQTPELLTRFPKELAIL,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(=O)O.O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(=O)O.O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(=O)O.O>>CSCC[C@H](N)C(=O)O.C[C@H](N=C(O)[C@@H]1CCCN1)C(=O)O,public_strict_iteration1_fulltrue_msa,2.100370545117563,,,s_5ea59b234100d6ac10dc0230,test
catpreddb_kcat_kcat_7299e62977d2f5,catpred_iteration1_kcat,kcat,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,CCc1cc(C(=N)S)ccn1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCc1cc(C(=N)S)ccn1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCc1cc(C(=N)S)ccn1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CCc1cc(C(S)=NO)ccn1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_709e219952fa967255321ee7,test
catpreddb_kcat_kcat_729a37f632fecc,catpred_iteration1_kcat,kcat,Q9XBQ8,Q9XBQ8,MINRRYELFKDVSDADWNDWRWQVRNRIETVEELKKYIPLTKEEEEGVAQCVKSLRMAITPYYLSLIDPNDPNDPVRKQAIPTALELNKAAADLEDPLHEDTDSPVPGLTHRYPDRVLLLITDMCSMYCRHCTRRRFAGQSDDSMPMERIDKAIDYIRNTPQVRDVLLSGGDALLVSDETLEYIIAKLREIPHVEIVRIGSRTPVVLPQRITPELVNMLKKYHPVWLNTHFNHPNEITEESTRACQLLADAGVPLGNQSVLLRGVNDCVHVMKELVNKLVKIRVRPYYIYQCDLSLGLEHFRTPVSKGIEIIEGLRGHTSGYCVPTFVVDAPGGGGKTPVMPNYVISQSHDKVILRNFEGVITTYSEPINYTPGCNCDVCTGKKKVHKVGVAGLLNGEGMALEPVGLERNKRHVQE,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O>>NCCC[C@H](N)CC(=O)O,public_strict_iteration1_fulltrue_msa,1.919078092376074,,,s_421b5bfd4d954e635fa603ba,test
catpreddb_kcat_kcat_729cab42d6b1cc,catpred_iteration1_kcat,kcat,Q6WB13,Q6WB13,MASNSIVTILEQSRISSPPGTIGERSLPLTFFDIGWVPFPPVHHVFFYRFPHSKSHFLETVVPNLKHSLSLALQHFFPFASNLYVSPNADDFGVIRKPEIRHVEGDYVALTFAECSLDFNDLTGNHPRKCENFYPLVPPLGNVVKMADCVTIPLFSVQVTYFRDSGISIGMTNHHSLGDASTRLGFLKVWTSIAKSGGDQSLLMNGSLPVLDRLIDVPKLDEYRLRHTSLETFYQPPSLVGPTKKVRATFILSRTNINQLKKRVLTQIPTLEYISSFTVTCGYIWSCIAKSLVKMGEKKGEDELEQFICTADCRSRMDPPIPSTYFGNCGAPCVTTIKNVVLSSENGFVFAAKLIGEAINKMVKNKEGILKDAERWHDAFKIPARKIGVAGTPKLNFYDIDFGWGKPQKNETISIDYNGSVAINASKESTQDFEIGLCFSNMQMEAFADIFNHGLESEI,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COC(=O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.0453229787866574,,,s_b74452fdfa942f6e3c0cb1f2,test
catpreddb_kcat_kcat_72d9ddd23ab8cc,catpred_iteration1_kcat,kcat,P0CH36,P0CH36,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,CCCCCCCC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCCCC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCCCCCC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCCCCCO.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.577491799837225,,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_kcat_kcat_72df0068287b6a,catpred_iteration1_kcat,kcat,Q9MYU4,Q9MYU4,MEDRRESELKTFCSKNILVILGFSSIIAVIALLALGLTQNKPLPENVKFGIVLDAGSSHTSLYIYKWPAEKENDTGVVSQVEECKLKGPGISEFAKKLGEIDIYLEACMERARTVVPKSQHAETPVYLGATAGMRLLRMKNENLASKILSTVAESITRYPFDFQGARIITGQEEGAYGWITINYLLDKFIQKSGWFNLKPRKGDTQETYGALDLGGASTQITFVPQNQVLESPENTLHFRLYGKNYSVYTHSFLCYGKDQALLQKLTKDLKNTNGTIHEPCFHSGYQRRMNVSHLYEAPCTRRFLTSLPFPELEIQGTGDFQKCQQSIRPLFNTSYCPYSRCSFDGVFLPLPQGDFAAFSAFYYVMGFLNLTSEEGSFQSKVTSTLEAFCSRPWAELQMYFGDVKEKYLSEYCFSGTYILTLLLSGYHFTAETWKNIHFMGKVQSTSVGWTLGYMLNLTNMIPSEEPSSTRLSHSTYVFLMVLFSLILVIVVIIGLFVCHRPSYFWKDMV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.934498451243568,,,s_9a0e07b7012bc1cc9b27b550,test
catpreddb_kcat_kcat_72e9355d411e69,catpred_iteration1_kcat,kcat,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1N)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O.O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1N)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O.O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1N)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.5440680443502757,,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_kcat_kcat_72f4f1bf84c7b4,catpred_iteration1_kcat,kcat,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,1.64738297011462,,,s_3e77477216a36cf6ae48eafe,test
catpreddb_kcat_kcat_7300a6964fde3d,catpred_iteration1_kcat,kcat,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O>>OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.356547323513813,,,s_577e1452403bbeb8c4453dd0,test
catpreddb_kcat_kcat_7306eb34451e09,catpred_iteration1_kcat,kcat,A1B196,A1B196,MARKSSAPQFLSYGDATGRLSWRDAVEALRQGHTLPQAQIRDVFLGPPTGTMMSRSAWIEGLGYGAKTFTVFDGNAARGLPTVQGAMLVFDKDDGRLQAIVDSPLVTEFKTAADSVLGASLLARPDSRHLLIVGAGTVAASLVRAYTAVLPGIERVSVWARRPQQAQDLIEGLDGIEADLAAVSDLPAAVGQADIVSSATMARQPVILGAWVRPGTHVDLIGAFKADMREADDALMARAALFVDSRETTLGHIGELMLPIASGAITAESVLGDLYDLVRPGARRRQSEDEITVFKNGGGAHLDLMIASYIARVMAG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1CCCN1,public_strict_iteration1_fulltrue_msa,1.9084850188786493,,,s_bad2e779b0d6f8d3cd092635,test
catpreddb_kcat_kcat_731d013141d563,catpred_iteration1_kcat,kcat,P13956,P13956,MNEKNIKHSQNFITSKHNIDKIMTNIRLNEHDNIFEIGSGKGHFTLELVQRCNFVTAIEIDHKLCKTTENKLVDHDNFQVLNKDILQFKFPKNQSYKIFGNIPYNISTDIIRKIVFDSIADEIYLIVEYGFAKRLLNTKRSLALFLMAEVDISILSMVPREYFHPKPKVNSSLIRLNRKKSRISHKDKQKYNYFVMKWVNKEYKKIFTKNQFNNSLKHAGIDDLNNISFEQFLSLFNSYKLFNK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.1804560644581312,-2.6415524868614564,,s_327fe0cb11294f476b0b0c26,test
catpreddb_kcat_kcat_7322a310ae56cc,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,C[C@@H](N)c1ccccc1.O=C(O)CCC(=O)C(=O)O,C[C@@H](N)c1ccccc1.O=C(O)CCC(=O)C(=O)O,C[C@@H](N)c1ccccc1.O=C(O)CCC(=O)C(=O)O>>CC(=O)c1ccccc1.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.845098040014257,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_7328855ad706bc,catpred_iteration1_kcat,kcat,H1AAP2,H1AAP2,MEKSNTDALLENNRLYAGGQATHRPGHPGMQPIQPSRRVAVVACMDARLDVEDLLGLQTGEAHIIRNAGGVINEDAIRCLIISHHLLNTHEIILVHHTRCGMLAFTDDLLRAGLEGDAAAEKLIGQATGRAFVSAGKASASPAAFQAFRGPPEPLDAPRSDASTERIAADVRRGLSIILNHPWLPTAGPDAITVRGFIYDVDTGRLEEVSYPGPMGGFG,O.O=C=S,O.O=C=S,O.O=C=S>>O=C=O.S,public_strict_iteration1_fulltrue_msa,1.7634279935629371,,,s_79a24e45e8c50aa391b052db,test
catpreddb_kcat_kcat_73385a2589d23f,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O.CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CCCNC(=N)N)C(=O)O,public_strict_iteration1_fulltrue_msa,0.4014005407815441,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_734a7bd08208bf,catpred_iteration1_kcat,kcat,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O>>O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.5440680443502757,-1.3098039199714864,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_kcat_kcat_737387e43aadaa,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1.O,Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1.O,Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1.O>>Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.8512583487190752,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_7376dfa057e5aa,catpred_iteration1_kcat,kcat,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.1079053973095195,,,s_b7052409576ea9e57f9adba3,test
catpreddb_kcat_kcat_738722ab6e731b,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(N)(=O)=O)cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(N)(=O)=O)cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(N)(=O)=O)cc1>>O=P(O)(O)OP(=O)(O)O.[NH3+]c1ccc(NS(=O)(=O)c2ccc(N3C=NC4=NCC=NC4=C3)cc2)cc1,public_strict_iteration1_fulltrue_msa,-1.0969100130080565,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_738ab8e1b6ed1c,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,CC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>CC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.3872161432802645,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_738cf22464c96a,catpred_iteration1_kcat,kcat,A0A0V3XMN6,A0A0V3XMN6,MHKVKLAAITCELPARSYENDDPVFAAVPDLSESWWQFWGVNRRGYFDPRNGENEFSLVVRAAERLLRSSDTAPDSVDMLICSASSPIMTDAGDVLPDLRGRLYPRMANVLSKQLGLSRALPLDSQMECASFLLNLRLAASMIRQGKAEKVLVVCSEYISNLLDFTSRTSTLFADGCAVALLTRGDDDSCDLLASAEHSDATFYEVATGRWRLPENPTGEAKPRLYFSLFSDGQNKMASFVPTNVPIAMRRALEKAGLGSDDIDYFVFHQPAPFLVKAWAEGIGARPEQYQLTMGDTGVMISVSIPYTLMTGLREGKIRPGDRIVMAGAATGWGFAAQVWQLGEVLVC,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N.CCC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N.CCC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N.CCC(=O)CC(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCc1cc(=O)c2ccccc2[nH]1.O.O=C=O,public_strict_iteration1_fulltrue_msa,-1.7825160557860935,,,s_fc23325f4d618852c65878ef,test
catpreddb_kcat_kcat_73bce229438c35,catpred_iteration1_kcat,kcat,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CCCCCCCC.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CO,public_strict_iteration1_fulltrue_msa,-2.0,,,s_b4b031ed943af76041b4fd24,test
catpreddb_kcat_kcat_73f248eeffd4f1,catpred_iteration1_kcat,kcat,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.Oc1ccccc1O,public_strict_iteration1_fulltrue_msa,1.954242509439325,,,s_1f9dafe578e10e0347c193ca,test
catpreddb_kcat_kcat_741f6e07869f61,catpred_iteration1_kcat,kcat,P55772,P55772,MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV,O,O,O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.8477116556169436,,,s_1d6314abafdcf5412b30cbfd,test
catpreddb_kcat_kcat_7430a3d12997c0,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O.C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,1.8802417758954804,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_74850195c2972f,catpred_iteration1_kcat,kcat,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,O.OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.460897842756548,,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_kcat_kcat_74c836346fe7e0,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,C[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,C[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,C[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>C[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,2.14921911265538,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_74d01bfc3ba937,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.380211241711606,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_74e0254766e875,catpred_iteration1_kcat,kcat,Q9FZ80,Q9FZ80,MESKTINDVVVSESNHELASSSPSEFEKNQKHYQEIIATLPHKDGWRPKDPFVEYGGHWWLQPLLEGLLHAQKFFKARPNDFFVCSYPKTGTTWLKALTFAIANRSKFDVSTNPLLKRNPHEFVPYIEIDFPFFPSVDVLKDEGNTLFSTHIPYDLLPESVVKSGCKIVYIWRDPKDTFVSMWTFAHKERSQQGPVVSIEEAFDKYCQGLSAYGPYLDHVLGYWKAYQANPDQILFLKYETMRADPLPYVKRLAEFMGYGFTKEEEEGNVVEKVVKLCSFETLKNLEANKGEKDREDRPAVYANSAYFRKGKVGDWQNYLTPEMVARIDGLMEEKFKGTGFLSSKS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O.O=S(=O)(O)O/N=C(\Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.2365720064370627,,,s_b47d79f0e22cf86dfe36ec07,test
catpreddb_kcat_kcat_74ece2122d84c5,catpred_iteration1_kcat,kcat,E6ENP9,E6ENP9,MNLLTINTHSWLEEEPLKKLEEIAKVILSSESEIIALQEVNQKVASKKVPLEQLTTFCPIATQTPIHEDNFAYLIVQYLAEKGQHYYWSWEMSHIGYAIYEEGNALLSKCPLTSEALLISESQEPTNYRTRKILVAETESSKGTLTVVSGHFSWWETPCTGFAYEWLQLEKYLAMGQQPLVILGDLNNPAGTTGYQLVENSYLPIQDAFVVAEETSGEATVEKKIDGWEENEAALRIDYAFVPKQWHVRKYEVIFDGRKTPIVSDHFGLLIQLK,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.1072099696478683,,,s_462c457b14feddb9cd6c3f88,test
catpreddb_kcat_kcat_74fa58bf3d53d3,catpred_iteration1_kcat,kcat,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,CCN1C(=O)C=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCN1C(=O)C=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCN1C(=O)C=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCN1C(=O)C=CC1=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-0.1249387366082999,,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_kcat_kcat_750eceffef8018,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.4313637641589874,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_75196310b72743,catpred_iteration1_kcat,kcat,Q8IE38,Q8IE38,MHKNICIYGGSFDPITYAHEMVLDKISNLNWIHEIWVVICRCRNDKSLTEFHHRHNMFTIIINNSSKIIKSKIFLKDLESHSEMTPTYDLLKTQKELHPNYTFYFGLGSDLICDIFSWDEGEKLVLENAFIIIERGHFKIDESILKKFPKYYLINIPKLSFINFISSSEARKFLTKENDINDIKKYIHPLTIDYIIKYNLYDFN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.0861861476162833,,,s_979d2073702645bf77230a4c,test
catpreddb_kcat_kcat_752bee095f5634,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.6382721639824072,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_7563538d016c42,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc3)C[C@H]1CN2.O,public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_75a2dca1454660,catpred_iteration1_kcat,kcat,P12851,P12851,MSVQATREDKFSFGLWTVGWQARDAFGDATRTALDPVEAVHKLAEIGAYGITFHDDDLVPFGSDAQTRDGIIAGFKKALDETGLIVPMVTTNLFTHPVFKDGGFTSNDRSVRRYAIRKVLRQMDLGAELGAKTLVLWGGREGAEYDSAKDVSAALDRYREALNLLAQYSEDRGYGLRFAIEPKPNEPRGDILLPTAGHAIAFVQELERPELFGINPETGHEQMSNLNFTQGIAQALWHKKLFHIDLNGQHGPKFDQDLVFGHGDLLNAFSLVDLLENGPDGAPAYDGPRHFDYKPSRTEDYDGVWESAKANIRMYLLLKERAKAFRADPEVQEALAASKVAELKTPTLNPGEGYAELLADRSAFEDYDADAVGAKGFGFVKLNQLAIEHLLGAR,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O>>OCC1(O)OCC(O)C1O,public_strict_iteration1_fulltrue_msa,2.556302500767288,3.1760912590556813,,s_5edc77e1f8c52732ee9e8352,test
catpreddb_kcat_kcat_75aa954cb9fe47,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@H](O)[C@@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.3098039199714864,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_7602f826e665b9,catpred_iteration1_kcat,kcat,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,CC(N)C(=O)O.O=CC(=O)O,CC(N)C(=O)O.O=CC(=O)O,CC(N)C(=O)O.O=CC(=O)O>>CC(=O)C(=O)O.NCC(=O)O,public_strict_iteration1_fulltrue_msa,0.456366033129043,,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_kcat_kcat_760d0fbfe0c398,catpred_iteration1_kcat,kcat,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2.O.[I-],C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2.O.[I-],C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2.O.[I-]>>,public_strict_iteration1_fulltrue_msa,0.505149978319906,,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_kcat_kcat_761753fd53b561,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1O[C@@H]([C@H](O)CO)[C@H](O)[C@@H]1O.[H+],public_strict_iteration1_fulltrue_msa,1.9979103673467435,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_761bff33161360,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.5512936800949202,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_7640529a7ac1f7,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,CC(C)NCC(O)c1ccc(O)c(O)c1.O=O,CC(C)NCC(O)c1ccc(O)c(O)c1.O=O,CC(C)NCC(O)c1ccc(O)c(O)c1.O=O>>CC(C)NCC(O)C1=CC(=O)C(=O)C=C1.O,public_strict_iteration1_fulltrue_msa,0.3579348470004537,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_76600a901d9e74,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)=CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(C)=CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(C)=CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(C)=CC(=O)O,public_strict_iteration1_fulltrue_msa,-1.6382721639824072,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_76858267678cb4,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1.O,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1.O,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1.O>>CCOC(=O)[C@@H](N)Cc1ccccc1.O=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1,public_strict_iteration1_fulltrue_msa,-0.8860566476931633,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_76d0f27aab0b2b,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)C1=CN(CCCc2ccccc2)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)C1=CN(CCCc2ccccc2)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)C1=CN(CCCc2ccccc2)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-3.017728766960432,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_76e15e92d9f217,catpred_iteration1_kcat,kcat,Q91516,Q91516,MELIRVLANLLILQLSYAQKSSELVFGGDECNINEHRSLVVLFNSNGFLCGGTLINQDWVVTAAHCDSNNFQLLFGVHSKKILNEDEQTRDPKEKFFCPNRKKDDEVDKDIMLIKLDSSVSNSEHIAPLSLPSSPPSVGSVCRIMGWGKTIPTKEIYPDVPHCANINILDHAVCRTAYSWRQVANTTLCAGILQGGRDTCHFDSGGPLICNGIFQGIVSWGGHPCGQPGEPGVYTKVFDYLDWIKSIIAGNKDATCPP,O,O,O>>,public_strict_iteration1_fulltrue_msa,4.658964842664435,,,s_25dbfa5b1d2a617f063434e0,test
catpreddb_kcat_kcat_76e4674e969fa3,catpred_iteration1_kcat,kcat,P11032,P11032,MRNASGPRGPSLATLLFLLLIPEGGCERIIGGDTVVPHSRPYMALLKLSSNTICAGALIEKNWVLTAAHCNVGKRSKFILGAHSINKEPEQQILTVKKAFPYPCYDEYTREGDLQLVRLKKKATVNRNVAILHLPKKGDDVKPGTRCRVAGWGRFGNKSAPSETLREVNITVIDRKICNDEKHYNFHPVIGLNMICAGDLRGGKDSCNGDSGSPLLCDGILRGITSFGGEKCGDRRWPGVYTFLSDKHLNWIKKIMKGSV,C[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)SCc1ccccc1.O,C[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)SCc1ccccc1.O,C[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)SCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,1.6532125137753435,,,s_2717a1dc500e71829f5ad886,test
catpreddb_kcat_kcat_76f3753b37eb95,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O>>C#N.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.1072099696478683,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_77066b98284bc7,catpred_iteration1_kcat,kcat,T2MBC4,T2MBC4,MFDNLSGVSYGLLAGILAMLIHLVYQKITELKRRKDELKERESHPTDDLFPKEDFIPYHPSRYSEEEMIKRSNDFYLSMNARRSVRFFSNEDVPDEVIDNIIRTAGTSPSGAHTEPWTFVVIKNKLLKAKVREIIEEEEELNYKQRMGQKWVDDLKPLKTNWIKEYLTEAPYLILVFKQTYGITEDGQKKTHYYNEISASISCGFLLAAIQNAGLVALTSTPLNAGSKLRNLVGRGPNEKIVILLPVGYPSKNCQVPNLKRKPLNEIMIKFD,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](Cc1ccc(O)cc1)C(=O)O.[I-],public_strict_iteration1_fulltrue_msa,-0.6382721639824072,,,s_5c3ada43058dece14904f731,test
catpreddb_kcat_kcat_7718e2e61b0204,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O>>CC(=O)C(=O)O.N.Oc1ccccc1,public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_7743a1ac42edfa,catpred_iteration1_kcat,kcat,Q82IY9,Q82IY9,MHLQPSTAVVTGAASGIGFALSARLAQAGARVVMTDIAGDGLAGAVEELAAHGADVTAVVADLTDPAAVQELADTAFGRLGDIDVVCNNAGVVGPVGMPLWSVPLDEMHAVFDVNYWAHVHVARAFVPRLLDSGRPSHLVQTASMSAFVVGAGTASYAASKHADLAAARSLRADLDGTPVRVSVLCPGRVDTPMTRGLVAPRNATGNTTISADEAADAVWNALGSDRFYIFTNADAQTRLGDQFNDVWRHLAREKYWTESSSPSVNSSRP,C[C@@H]1[C@H](O)C[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]312.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@@H]1[C@H](O)C[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]312.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@@H]1[C@H](O)C[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]312.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@@H]1C(=O)C[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]312.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.1870866433571444,,,s_5373a2227c41c71e92fa3489,test
catpreddb_kcat_kcat_77909a72562ead,catpred_iteration1_kcat,kcat,B6D1W5,B6D1W5,MLSHIVEAFTGKNEEENKKKIKGKVVLMKKNVLDFNDFGGSVLDRVHELLGQKVSLQLISSINGDPENKLKGKLGRAAYLEDWITTFTSLTPGDSAFHVTFDWEEEEIGIPGAFIIQNFHHTEFYLKTLTLEDVPGHHGPIHFVCNSWVYPAEKYKTDRVFFTNKTYLPSETPEPLVKYREEELVNLRGNGSGQLEEWDRVYDYAYYNDLGDPDKGSDYARPVLGGSVEYPYPRRGRTGRPPTKTDPNSESRIPLLTSLDIYIPRDERFGHLKMSDFLAYALKSVVQFLLPEFEDLCDSIHNEFDSFEDILQIYEGGFKLPEGPLLKNIFENIPFEMLKVLLRSDGEGLFKFPLPQVIKDDKSAWRTDEEFAREMLAGVNPVIISRLQEFPPTSKLDPNLYGDQTSTISGGHIENKLDGLTIDEAIRTNKLFILNHHDALMPYLKRINSTTTKTYASRTLLFLQKDGSLKPLAIELSLPHPDGYQFGAISKVYLPAEHGIDSSIWQLAKAYVAINDSGVHQLISHWLNTHASIEPFVIATNRQLSVLYPIHKLLHPHFRDTMNINAVGRQILINAGGILEATVFPAKYSMEMSAVIYKDWVFTEQGLPADLLKRGMAVDDSNSPHGLRLLIEDYPYAVDGLEIWSAIKTWVQDYCNFYYTSDILVQKDAELQSWWTEVREKGHGDKKNEPWWPKMQTRGELVDSCTTIIWMASALHAAVNFGQYPYAGYLPVRPTLSRRFMPEPGKPEYDELKTNPDKVFLKTITARLQTLLGISLIEILSSHSSDEVYLGQRDALEWTKDVEPLEAFDRFGTKLREVEERIKQMNNDKKWRNRVGPVNVPYTLLYPTSEEGLTGKGIPNSVSI,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.O=O,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.O=O,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.O=O>>CC/C=C\C[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,public_strict_iteration1_fulltrue_msa,1.6792461454138592,,,s_321ab8105e12d5f609b93865,test
catpreddb_kcat_kcat_77b2663e00a778,catpred_iteration1_kcat,kcat,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+]>>C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O.O,public_strict_iteration1_fulltrue_msa,-0.0969100130080563,,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_kcat_kcat_77d4a871cbc9b7,catpred_iteration1_kcat,kcat,X5D911,X5D911,MRSLLFITLLLAFVASALAFDSDFLNEPVHDRVLIDKINNSPKVAWKATSYSQFEKMTLGEFRKRLGTVLIQKGTADMLPKKTIAPLVGAPAAFDSRTKWPNCVHPIRNQEQCGSCWAFSASEVLSDRFCIASTGKDNVVLSPQYMVSCDTSDYGCDGGYLNNAWNFLATTGIPTDSCVPYTSQNGDVAACPSTCQNGGSIKLYRAKNPQQLNDIPSIMADMEANGPVQAAFSVYRDFMSYKSGVYHHVSGSLLGGHAIKIVGWGVDSVSNKPYWIVANSWGPSWGLNGFFWILRGSDECGIEDNVWGAGVLL,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc3ccccc3)N=C(O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc3ccccc3)N=C(O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc3ccccc3)N=C(O)OCc3ccccc3)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.3223930472795068,,,s_3f9c08249d9bac9bb0a07ff1,test
catpreddb_kcat_kcat_77dca0dc1643b3,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(C)(CO)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(CO)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(CO)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)(CO)C(O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-0.712198270069774,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_77faea9a136aff,catpred_iteration1_kcat,kcat,C0LL35,C0LL35,MECENGQVASNGNGLCMATPRADPLNWGKAAEELMGSHLEEVKRMVAEYRQPVVKIEGASLRIAQVAAVAAGAGEAKVQLDDSARGRVKESSDWVMNSMMNGTDSYGVTTGFGATSHRRTKEGGALQRELIRFLNAGAFGTGSDGHVLAAEATRAAMLVRINTLLQGYSGIRFEILEAIAKLLNANVTPCLPLRGTITASGDLVPLSYIAGLVTGRENSVAVAPDGRKVNAAEAFKIAGIQGGFFELQPKEGLAMVNGTAVGSGLASTVLFEANILAILAEVLSAVFCEVMNGKPEYTDHLTHKLKHHPGQIEAAAIMEHILEGSSYMKLAKKLGELDPLMKPKQDRYALRTSPQWLGPQIEVIRAATKSIEREINSVNDNPLIDVSRGKALHGGNFQGTPIGVSMDNTRLAIAAVGKLMFAQFSELVNDFYNNGLPSNLSGGRNPSLDYGFKGAEIAMASYCSELQFLGNPVTNHVQSAEQHNQDVNSLGLISSRKTAEAIDILKIMSSTFLVALCQAIDLRHIEENVKSAVKSCVMTVAKKTLSTNSTGDLHVARFCEKDLLKEIDREAVFAYADDPCSPNYPLMKKMRNVLVERALANGMAEFNAETSVFAKVAQFEEELRATLPRAVEAARAAVENGTAATPNRITECRSYPLYRFVREELGTAYLTGEKTRSPGEELNKVLLAINQGKHIDPLLECLKEWNGEPLPIN,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>N.O=C(O)/C=C/c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,-0.0030507515046188,,s_4e968ebdbb19f645e6fa425d,test
catpreddb_kcat_kcat_7806eb674460b1,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O>>CC(C(=O)SCCNC(O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.0791812460476249,,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_7812a06fe97af0,catpred_iteration1_kcat,kcat,Q9L9F4,Q9L9F4,MLILGLNGNVSAAGADVVPNLNELYMHDAAATLVRDGVLVAAVEEERLNRIKKTTKFPSNAIRECLAAAGAKPADVDAIAYYFPEDFFDDIFQQLYTEHPSVPTRYSREMILERLRVDLGWAAPPDILHYVPHHLAHAMSTYYRSGMREALVVVMDGAGERNCTTIYRSDGAELFEIASYPVPKSLGMFYLYGTRHLGYGFGDEYKVMGLAPYGDPSTYRDVFSTLYSLGPNGTYELIPRGGVVFRMTTILREHGLQPRRRGEPFTQAHMDFAASVQETTEQIAMHVIGYWARSTGLRNLAFGGGVAHNSTLNGRILTSGLFDEVFVHPASHDAGSSEGAALVVARERGERVWPLPRLTNASLGPDLGDVDSLERTLKSWSPLVDVERPDDIVEATAHLLAAGEAIGWAHGRSEFGPRALGNRSILADARPKENQTRINAMVKKRESFRPFAPVVTAEAAGDYFDLPETVGHHDFMSFVVQVRADRRELLGAVTHVDGSARVQVVTEETNPRFHRLVTRFGELTGTPVLLNTSFNNHAEPIVQSVDDVLTSYLTTSLDVLVIEDFVVRRRTELPLALEDFTIGFRPVTRLVRRLADVSAGRPGAPEVSHEIYLDHTSGPRATISAAMYELLTHADGVTPLGSLGIELTGELLTELYDLWQGRFVTVAPVGDGAGSAP,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C.N=C(O)OP(=O)(O)O,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C.N=C(O)OP(=O)(O)O,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C.N=C(O)OP(=O)(O)O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.1205739312058498,,,s_cf92563dbf75db8cc3f111e8,test
catpreddb_kcat_kcat_781fbb797e36c3,catpred_iteration1_kcat,kcat,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,O.O=C(O)C1CCCN1C(=O)C1CCCN1,O.O=C(O)C1CCCN1C(=O)C1CCCN1,O.O=C(O)C1CCCN1C(=O)C1CCCN1>>O=C(O)[C@@H]1CCCN1.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,1.1271047983648077,,,s_668310886d09794f507cf2a6,test
catpreddb_kcat_kcat_7850b3c5030a0e,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)C[C@H]1CN2.O,public_strict_iteration1_fulltrue_msa,0.5797835966168101,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_788d86b7c4e924,catpred_iteration1_kcat,kcat,A8RG82,A8RG82,MRYFKEEVAGMKYGIYFAYWTKEWFADYKKYMDKVSALGFDVLEISCAALRDVYTTKEQLIELREYAKEKGLVLTAGYGPTKAENLCSEDPEAVRRAMTFFKDLLPKLQLMDIHILGGGLYSYWPVDFTINNDKQGDRARAVRNLRELSKTAEECDVVLGMEVLNRYEGYILNTCEEAIDFVDEIGSSHVKIMLDTFHMNIEETNMADAIRKAGDRLGHLHLGEQNRLVPGKGSLPWAEIGQALRDINYQGAAVMEPFVMQGGTIGSEIKVWRDMVPDLSEEALDRDAKGALEFCRHVFGI,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,public_strict_iteration1_fulltrue_msa,1.7708520116421442,1.7767011839884108,,s_45bb25d72d8311bbac7d6ed9,test
catpreddb_kcat_kcat_78987b659fbc80,catpred_iteration1_kcat,kcat,Q9V6K1,Q9V6K1,MFNRFRLVHKQLRLYKNFGLLGQKASVGLTLPIISLSRPYMAYMGTERSVVMITAPATKEFAESSERSNSSKKTTNKEQSDKSAESRMATSGIVESFPTGALVPKAETGVLNFLQKYPEYDGRDVTIAIFDSGVDPRATGLETLCDGKTVKVIERYDCSGCGDVDMKKKVTPDENGNIKGLSGNSLKLSPELMALNTDPEKAVRVGLKSFSDLLPSKVRNNIVAQAKLKHWDKPHKTATANASRKIVEFESQNPGEASKLPWDKKILKENLDFELEMLNSYEKVYGDIKTSYDCILFPTADGWLTIVDTTEQGDLDQALRIGEYSRTHETRNVDDFLSISVNVHDEGNVLEVVGMSSPHGTHVSSIASGNHSSRDVDGVAPNAKIVSMTIGDGRLGSMETGTALVRAMTKVMELCRDGRRIDVINMSYGEHANWSNSGRIGELMNEVVNKYGVVWVASAGNHGPALCTVGTPPDISQPSLIGVGAYVSPQMMEAEYAMRENLNVAKAADVSIYAPIFNDLLYEAEFESQMWMLFDANKALVATGDAHSHTSFTKLDKGEYTIRLQVRHEKRDLLEKISEANLVASFKLTSPLTLDFYENYNQCIVGGRKYVSSPLRLSTRVLYIAPITQERLTKANLPAQCAWLSGNLVFPQDEVGRRVAQHPFTYILNPAEKKSHTNGSSNGSSAAGSTATAAAVTTANGAKPKAPATPQAATSVTNPAAGDGISVQNDPPVDSSGSPASPKKGKANADDYAESFRDFQCSQIVKCELEMAEKIYNDVVAAHPKHLQANLLLIQNIESNQLKSQLPLTFVNAQKTSPPEAGESADKQKEDQKKVRSALERIVKLADKVIQETDSEALLSYYGLKNDTRADAAKIKTNMDKQKNTLIEALSKKGIAVAKLAVLDDCIKDSLAEINELYTEIIKFVDANDSKAIQFALWHAYAHGHYGRMYKYVVKLIEEKRTRDHFVELAAINGALGHEHIRTVINRMMITAFPSSFRLF,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)N=C1C=CC(=[N+](O)O)C=C1.O,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)N=C1C=CC(=[N+](O)O)C=C1.O,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)N=C1C=CC(=[N+](O)O)C=C1.O>>C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.812913356642856,,,s_1c1c49a1455f667d26349e80,test
catpreddb_kcat_kcat_7907c0ae22ebc2,catpred_iteration1_kcat,kcat,A4URQ8,A4URQ8,MRFSLPTTACALAVSLAFAPGWAAAWEKDKTYDITILHTNDHHGHFWQNDHGEYGLAAQKTVVDNIRKQVAAEGGSLLLLSGGDINTGVPESDLQDAEPDFRGMNLVGYDAMAIGNHEFDNPLSVLRQQEKWATFPLLSANIYQKSTQQRLFKPYALFDKQGVKIAVIGLTTDDTAKIGNPEYFTDIEFHVPAVEAKQVVDQLRKTDKPDIIIAATHMGHYDDGKHGSNAPGDVEMARSLPAGYLDMIVGGHSQDPVCMASENHKQADYVPGTPCAPDRQNGTWIVQAHEWGKYVGRADFKFRNGELKLVSYQLIPINLKKKVEKADGTSERVFYTQEIAQDPSMLKLLTPFEEQGKAQLDIKVGSVNGKLEGDRSKVRFEQTNLARVLLAAQMERAGADFAVMSGGGVRDSIDAGDITYKNVLKVQPFGNTLVYADMKGSEIEKYLAVVANKKVDSGAYAQFANVSLVADGNGVSDVKIQGKPLDPNKTYRLATLNFNALGGDGYPKIDTLPGYVNTGFIDAEVLKQYIEKHSPLDASQYQPKGEIVYK,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.9867717342662448,,,s_33845bf969156f9b6c584bd9,test
catpreddb_kcat_kcat_790b7539621950,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O3)c2[nH]1.O,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O3)c2[nH]1.O,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O3)c2[nH]1.O>>N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.6232492903979004,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_791806fbce1547,catpred_iteration1_kcat,kcat,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,0.2227164711475832,,,s_d053f6b16bee1b61e3a75110,test
catpreddb_kcat_kcat_792746ac8cd33e,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1,N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1,N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.7160033436347992,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_794a1b67b3f768,catpred_iteration1_kcat,kcat,A0A0U5A554,A0A0U5A554,MNGVKAAPVDLLHVRAASQRIHGWVHRTPVFTCQALDDMAGRELYFKAENLQKTGAFKARGACNAVFLEKERNPNCVGIVTDSSGNHAQGVAYASKCVDLDCTVVLPRGAPKVKCDAIRGYGAELVFCDPTPTARKKMSAKIANETGKTIISSSDNYDVMAGQGTIALELLEEVPDLDAVLVSTSAGGMLAGIAVAVRALRPQCRVYAVEPVGKGLQKCLEAKERLWPNPSRFLNTIADSIRLQAIGELTFPIICDYADSKVFTVTDDQMVEGMKLTFERMKLVVEAASGAAVYAAVHMMDEVQPPPRKVGVILCGGNTDLDNLPWLTRSTTYN,N[C@@H](CC(=O)O)C(=O)O,N[C@@H](CC(=O)O)C(=O)O,N[C@@H](CC(=O)O)C(=O)O>>N[C@H](CC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.5185139398778875,1.173186268412274,,s_6d9c098050aa24adeeb1bac0,test
catpreddb_kcat_kcat_794aa5222e3956,catpred_iteration1_kcat,kcat,I3VXT6,I3VXT6,MEKIVHEMNKELKDRIFPFWSKLKDEENGGFYGYVDYDLNIDNKALKGSILNSRILWFFSAFYCLDKEKKALELAHHAYKFLRDNILDKENKGLYWMVDYKGEPVDTRKHTYSQAFGIYGLAQYYKATGNEEALNIAIDLFNTIERNCRDENGYLEEFDRNWNLKENYELSEHGVISSRTMNTHLHILEAYTLLYDVWKNSNLKKSIIYLLNLFKDKIYSEDGKYLKVFFDDNWNTTIDIKSYGHDIEASWLLDKAVDVLCDEEIKNTTKKYTMEIAENILNNVYSPDGMVNETVEGRTDLSRVWWVQAESVVGFFNAYQKTNDVRFIEASKNIWEYIKRYAIDKRDGGEWYWKVDENGKPFEMPIVEPWKCPYHNGRMCIEIIERVKNSEV,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.4899584794248346,2.0958664534785427,,s_9656c76b9472724c0dff1055,test
catpreddb_kcat_kcat_79503af0fc8b81,catpred_iteration1_kcat,kcat,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,COC(=O)/C=C/c1ccc(O)c(OC)c1.O,COC(=O)/C=C/c1ccc(O)c(OC)c1.O,COC(=O)/C=C/c1ccc(O)c(OC)c1.O>>CO.COc1cc(/C=C/C(=O)O)ccc1O,public_strict_iteration1_fulltrue_msa,1.086003705618382,,,s_c30215f5949a041d7b73c98a,test
catpreddb_kcat_kcat_798aa415f796af,catpred_iteration1_kcat,kcat,P26263,P26263,MSEITLGKYLFERLKQVNVNTIFGLPGDFNLSLLDKIYEVDGLRWAGNANELNAAYAADGYARIKGLSVLVTTFGVGELSALNGIAGSYAEHVGVLHVVGVPSISAQAKQLLLHHTLGNGDFTVFHRMSANISETTSMITDIATAPSEIDRLIRTTFITQRPSYLGLPANLVDLKVPGSLLEKPIDLSLKPNDPEAEKEVIDTVLELIQNSKNPVILSDACASRHNVKKETQKLIDLTQFPAFVTPLGKGSIDEQHPRYGGVYVGTLSKQDVKQAVESADLILSVGALLSDFNTGSFSYSYKTKNVVEFHSDYVKVKNATFLGVQMKFALQNLLKVIPDVVKGYKSVPVPTKTPANKGVPASTPLKQEWLWNELSKFLQEGDVIISETGTSAFGINQTIFPKDAYGISQVLWGSIGFTTGATLGAAFAAEEIDPNKRVILFIGDGSLQLTVQEISTMIRWGLKPYLFVLNNDGYTIEKLIHGPHAEYNEIQTWDHLALLPAFGAKKYENHKIATTGEWDALTTDSEFQKNSVIRLIELKLPVFDAPESLIKQAQLTAATNAKQ,CC(=O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,CC(=O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,CC(=O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1>>CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C=O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,1.812913356642856,,,s_fc2e5bb92d746c2c343d298a,test
catpreddb_kcat_kcat_798e4f189c4011,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.0770043267933502,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_798f2eb897ebd1,catpred_iteration1_kcat,kcat,P44514,P44514,MKEKVVSLAQDLIRRPSISPNDEGCQQIIAERLEKLGFQIEWMPFNDTLNLWAKHGTSEPVIAFAGHTDVVPTGDENQWSSPPFSAEIIDGMLYGRGAADMKGSLAAMIVAAEEYVKANPNHKGTIALLITSDEEATAKDGTIHVVETLMARDEKITYCMVGEPSSAKNLGDVVKNGRRGSITGNLYIQGIQGHVAYPHLAENPIHKAALFLQELTTYQWDKGNEFFPPTSLQIANIHAGTGSNNVIPAELYIQFNLRYCTEVTDEIIKQKVAEMLEKHNLKYRIEWNLSGKPFLTKPGKLLDSITSAIEETIGITPKAETGGGTSDGRFIALMGAEVVEFGPLNSTIHKVNECVSVEDLGKCGEIYHKMLVNLLDS,O,O,O>>NC(CCCC(N)C(=O)[O-])C(=O)[O-].O=C(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,2.672097857935717,,,s_b07f4d5a82f88e0062e88c59,test
catpreddb_kcat_kcat_799a591c165e0f,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCc1ccncc1.O.O=O,NCc1ccncc1.O.O=O,NCc1ccncc1.O.O=O>>N.O=Cc1ccncc1.OO,public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_79aca2863be22a,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCC1CCC(=O)O1.O,CCCC1CCC(=O)O1.O,CCCC1CCC(=O)O1.O>>CCCC(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,0.7708520116421442,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_79c07fd2589033,catpred_iteration1_kcat,kcat,P43166,P43166,MTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKCLLPASRHYWTYPGSLTTPPLSESVTWIVLREPICISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRA,O.O=C=O,O.O=C=O,O.O=C=O>>O=C(O)O,public_strict_iteration1_fulltrue_msa,6.0,,,s_e4a9ea745635c950475641c8,test
catpreddb_kcat_kcat_79c384a7184d5d,catpred_iteration1_kcat,kcat,P16549,P16549,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYPDFPFPEDYPNYVPNSHFLEYLRMYANQFNLLKCIQFKTKVCSVTKHEDFNTTGQWDVVTLCEGKQESAVFDAVMVCTGFLTNPYLPLDSFPGINTFKGQYFHSRQYKHPDIFKDKSVLVVGMGNSGTDIAVEASHLAKKVFLSTTGGAWVISRVFDSGYPWDMVFMTRFQNMFRNSLPTPIVNWLIAKKMNSWFNHANYGLIPEDRIQLREPVLNDELPGRIITGKVLIKPSIKEVKENSVVFNSSPEEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAVIGLIKPLGSLLPTGDTQARWAVRVLKGVNKLPPSSVMIQEVNTRKENKPSGFGLCYCKALQSDYIAYIDELLTYIDAKPNMFSLLLTDPHLALTIFFGPCTPYQFRLTGPGKWEGARNAIMTQWDRTFKVTKTRIVKESPSPFASLLKLFSFLALLVAIFQIFL,CN(C)C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CN(C)C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CN(C)C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>C[N+](C)(C)[O-].NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,3.296665190261531,,,s_7a9fca776fcca4adfbef8491,test
catpreddb_kcat_kcat_79c567accd51b9,catpred_iteration1_kcat,kcat,C7LHI0,C7LHI0,MKITLEVIMTGSNYPARDLIASVFGTEALQEIAASRGFPEKEMQANAVYQIIHDELFLDGNARQNLATFCQTWDDDYVHKLMDLSINKNWIDKEEYPQSAAIDLRCVNMVADLWNAPKFADNATGTNTIGSSEACMLGGMAMKWRWRKKMQEMGKPTDKPNFVCGPVQVCWHKFARYWDVEIREIPMEPGRLFMGPEQMLEAVDENTIGVVPTFGVTYTGNYEFPEPLQDALDKLQKTKGLDIDIHVDAASGGFLAPFCAPDIPWDFRLPRVKSISASGHKYGLAPLGCGWVVWRDKEALPEELIFNVDYLGGQVGTFAINFSRPAGQVISQYYEFMRLGREGYTKVQQAAYRVAQYIAREIEPLGPYEFICAGEEKGGIPAVCFRIREGEDPGYSLYDLSERLRLTGWQVPAFALSGKASDITVMRVMCRRGFEMDLAALFIRDFKAGIEFFKSHPSPKITPSMGTGFHHT,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>NCCCC(=O)O.O=C=O,public_strict_iteration1_fulltrue_msa,1.252367514459899,0.4281347940287888,,s_3cb76e0801889b8ec889e21b,test
catpreddb_kcat_kcat_7a548a288c3aba,catpred_iteration1_kcat,kcat,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_7a89a4d3410cae,catpred_iteration1_kcat,kcat,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.[N-]=[N+]=O,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_kcat_kcat_7aa6d08b6f22b9,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1nc(O)ncc1F.O,CC(O)=Nc1nc(O)ncc1F.O,CC(O)=Nc1nc(O)ncc1F.O>>,public_strict_iteration1_fulltrue_msa,1.954242509439325,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_7aaf5ec4b78bbc,catpred_iteration1_kcat,kcat,P71875,P71875,MSTDTSGVGVREIDAGALPTRYARGWHCLGVAKDYLEGKPHGVEAFGTKLVVFADSHGDLKVLDGYCRHMGGDLSEGTVKGDEVACPFHDWRWGGDGRCKLVPYARRTPRMARTRSWTTDVRSGLLFVWHDHEGNPPDPAVRIPEIPEAASDEWTDWRWNRILIEGSNCRDIIDNVTDMAHFFYIHFGLPTYFKNVFEGHIASQYLHNVGRPDVDDLGTSYGEAHLDSEASYFGPSFMINWLHNRYGNYKSESILINCHYPVTQNSFVLQWGVIVEKPKGMSEEMTDKLSRVFTEGVSKGFLQDVEIWKHKTRIDNPLLVEEDGAVYQLRRWYEQFYVDVADIKPEMVERFEIEVDTKRANEFWNAEVEKNLKSREVSDDVPAEQH,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+],C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+],C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.[H+]>>Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12.O,public_strict_iteration1_fulltrue_msa,-0.0969100130080563,,,s_17b685d1dec68eb1ef1f91ee,test
catpreddb_kcat_kcat_7b15dc906d80e8,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,-3.0457574905606752,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_7b379410001eb0,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccccc1>>N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccccc1C(=O)CC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.2006594505464183,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_7b5953a5f8a671,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O.O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-1.3010299956639813,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_7b9140c0656f5c,catpred_iteration1_kcat,kcat,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,CC1=CC(=O)c2ccccc2C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC1=CC(=O)c2ccccc2C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC1=CC(=O)c2ccccc2C1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>Cc1cc(O)c2ccccc2c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,3.690196080028514,,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_kcat_kcat_7ba13096da24d5,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,O=[N+]([O-])c1ccc([C@H](O)CBr)cc1,O=[N+]([O-])c1ccc([C@H](O)CBr)cc1,O=[N+]([O-])c1ccc([C@H](O)CBr)cc1>>Br.O=[N+]([O-])c1ccc(C2CO2)cc1,public_strict_iteration1_fulltrue_msa,0.8450980400142568,-0.3665315444204134,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_7ba352d0060bf2,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1COC(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1OC(CO)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,4.835056101720117,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_7bba4d4bb6287b,catpred_iteration1_kcat,kcat,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCC3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.9208187539523752,,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_kcat_kcat_7bbed1fa44d310,catpred_iteration1_kcat,kcat,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO.O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO.O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO.O>>CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.NCCO,public_strict_iteration1_fulltrue_msa,-0.4814860601221125,,,s_d02e45ef02098b997a7f78aa,test
catpreddb_kcat_kcat_7bcd8a9e1eb634,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CC(C)CCN.O.O=O,CC(C)CCN.O.O=O,CC(C)CCN.O.O=O>>CC(C)CC=O.N.OO,public_strict_iteration1_fulltrue_msa,0.8382192219076258,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_7bd9817042ac3b,catpred_iteration1_kcat,kcat,Q9C1V4,Q9C1V4,MASLVAGALCILGLTPAAFARAPVAARATGSLDSFLATETPIALQGVLNNIGPNGADVAGASAGIVVASPSRSDPNYFYSWTRDAALTAKYLVDAFIAGNKDLEQTIQQYISAQAKVQTISNPSGDLSTGGLGEPKFNVNETAFTGPWGRPQRDGPALRATALIAYANYLIDNGEASTADEIIWPIVQNDLSYITQYWNSSTFDLWEEVEGSSFFTTAVQHRALVEGNALATRLNHTCSNCVSQAPQVLCFLQSYWTGSYVLANFGGSGRSGKDVNSILGSIHTFDPAGGCDDSTFQPCSARALANHKVVTDSFRSIYAINSGIAEGSAVAVGRYPEDVYQGGNPWYLATAAAAEQLYDAIYQWKKIGSISITDVSLPFFQDIYPSAAVGTYNSGSTTFNDIISAVQTYGDGYLSIVEKYTPSDGSLTEQFSRTDGTPLSASALTWSYASLLTASARRQSVVPASWGESSASSVPAVCSATSATGPYSTATNTVWPSSGSGSSTTTSSAPCTTPTSVAVTFDEIVSTSYGETIYLAGSIPELGNWSTASAIPLRADAYTNSNPLWYVTVNLPPGTSFEYKFFKNQTDGTIVWEDDPNRSYTVPAYCGQTTAILDDSWQ,O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.4313637641589873,,,s_5f0631374fe680a8b20d9d28,test
catpreddb_kcat_kcat_7c0452cc88c395,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1.O,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1.O,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1.O>>COP(O)(=S)OC.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.9867717342662448,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_7c0c54d882e5f8,catpred_iteration1_kcat,kcat,Q8TGI8,Q8TGI8,MRNGLLKVAALAAASAVNGENLAYSPPFYPSPWANGQGDWAEAYQKAVQFVSQLTLAEKVNLTTGTGWEQDRCVGQVGSIPRLGFPGLCMQDSPLGVRDTDYNSAFPAGVNVAATWDRNLAYRRGVAMGEEHRGKGVDVQLGPVAGPLGRSPDAGRNWEGFAPDPVLTGNMMASTIQGIQDAGVIACAKHFILYEQEHFRQGAQDGYDISDSISANADDKTMHELYLWPFADAVRAGVGSVMCSYNQVNNSYACSNSYTMNKLLKSELGFQGFVMTDWGGHHSGVGSALAGLDMSMPGDIAFDSGTSFWGTNLTVAVLNGSIPEWRVDDMAVRIMSAYYKVGRDRYSVPINFDSWTLDTYGPEHYAVGQGQTKINEHVDVRGNHAEIIHEIGAASAVLLKNKGGLPLTGTERFVGVFGKDAGSNPWGVNGCSDRGCDNGTLAMGWGSGTANFPYLVTPEQAIQREVLSRNGTFTGITDNGALAEMAAAASQADTCLVFANADSGEGYITVDGNEGDRKNLTLWQGADQVIHNVSANCNNTVVVLHTVGPVLIDDWYDHPNVTAILWAGLPGQESGNSLVDVLYGRVNPGKTPFTWGRARDDYGAPLIVKPNNGKGAPQQDFTEGIFIDYRRFDKYNITPIYEFGFGLSYTTFEFSQLNVQPINAPPYTPASGFTKAAQSFGQPSNASDNLYPSDIERVPLYIYPWLNSTDLKASANDPDYGLPTEKYVPPNATNGDPQPIDPAGGAPGGNPSLYEPVARVTTIITNTGKVTGDEVPQLYVSLGGPDDAPKVLRGFDRITLAPGQQYLWTTTLTRRDISNWDPVTQNWVVTNYTKTIYVGNSSRNLPLQAPLKPYPGI,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1>>O=[N+]([O-])c1ccc(O)c(Cl)c1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.146128035678238,,,s_75ed30970c46263bfbfb163d,test
catpreddb_kcat_kcat_7c1d2488aec188,catpred_iteration1_kcat,kcat,Q8K3F7,Q8K3F7,MLFLGMLKQVVNGTAQSKASSCRKLVLPLKFLGTSQHRIPADANFHSTSISEAEPPRVLITGGLGQLGVGLANLLRKRFGKDNVILSDIRKPPAHVFHSGPFVYANILDYKSLREIVVNHRISWLFHYSALLSAVGEANVSLARDVNITGLHNVLDVAAEYNVRLFVPSTIGAFGPTSPRNPAPDLCIQRPRTIYGVSKVHTELMGEYYYYRYGLDFRCLRYPGIISADSQPGGGTTDYAVQIFHAAAKNGTFECNLEAGTRLPMMYISDCLRATLEVMEAPAERLSMRTYNISAMSFTPEELAQALRKHAPDFQITYCVDPLRQAIAESWPMILDDSNARKDWGWKHDFDLPELVATMLNFHGVSTRVAQVN,C[C@@H](O)[C@H](N)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@@H](O)[C@H](N)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@@H](O)[C@H](N)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)[C@H](N)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,1.6748611407378116,,,s_2b59097a8e1a57d700997659,test
catpreddb_kcat_kcat_7c290de13e56c4,catpred_iteration1_kcat,kcat,P29957,P29957,MKLNKIITTAGLSLGLLLPSIATATPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRYQPVSYELQSRGGNRAQFIDMVNRCSAAGVDIYVDTLINHMAAGSGTGTAGNSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASNYVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQEVIDQGGEAVGASEYLSTGLVTEFKYSTELGNTFRNGSLAWLSNFGEGWGFMPSSSAVVFVDNHDNQRGHGGAGNVITFEDGRLYDLANVFMLAYPYGYPKVMSSYDFHGDTDAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNNTADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQYCNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLNTSSASSTESDWQRTVIFINAQTQSGQDMFIRGGIDHAYANANLGRNCQTSNFECAMPIRHNNLKNVTTSPWKANDNYLDWYGIENGQSSEAEGSATDWTTNVWPAGWGAEKTVNTDGFGVTPLNIWGEHYWMLDVDMDCSKAVNGWFELKAFIKNGQGWETAIAQDNAPYTSTNHMAQCGKINKFEFNNSGVVIRSF,O,O,O>>O=[N+]([O-])c1ccc(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1,public_strict_iteration1_fulltrue_msa,2.8432327780980096,,,s_8e85573a5bc805580118e69e,test
catpreddb_kcat_kcat_7c38beb853b233,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.0211892990699383,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_7c42a120ab794f,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCc1cccnc1.O.O=O,NCc1cccnc1.O.O=O,NCc1cccnc1.O.O=O>>N.O=Cc1cccnc1.OO,public_strict_iteration1_fulltrue_msa,0.2787536009528289,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_7c4929f2701442,catpred_iteration1_kcat,kcat,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,N[C@@H](CCSC(F)(F)F)C(=O)O.O,N[C@@H](CCSC(F)(F)F)C(=O)O.O,N[C@@H](CCSC(F)(F)F)C(=O)O.O>>CCC(=O)C(=O)[O-].FC(F)(F)S.N,public_strict_iteration1_fulltrue_msa,1.242044239369551,,,s_482422f32efc21500360d70c,test
catpreddb_kcat_kcat_7c4e2084a494e3,catpred_iteration1_kcat,kcat,A8Q3I7,A8Q3I7,MLQEIGAWPVWQQALTFLVGGLALIVGINVLVQVLVPRNKSLPPMVFHWVPVVGSAITYGMDPYRFFFNCREKYGDVFTFKLFGRNVTVALGPKGSNLVFNGRLTQVSAEEAYTSLTTPVFGKGVVYDVPNAVLMEQKRFVKSGLSMENFRMYVTQIESEVKDFINNDAAFLPLQKGATSVTVDIFNVFSEITILTASRTLQGKEVRESLDKTFAKLYHDLDSGFTPINFVIPNLPLPNNFRRDRAQRLMSDFYLGIIKKRREGNTEGTEHDMISALMEQSYKNGRNINDREIAHMMIALLMAGQHTSSATGSWAMLRLASRPEIIEELYEEQKRVYSDGTGGFAPLDYDIQKSSVPVLDAVIRETLRLHPPIHSIMRKVKSDMVVPPTLAAPISSKGSRDETYVIPKGHYVIAAPGVSQVDPKIWEDASRFDPHRWLGDKANVMNQTDDAQEDFGWGMVSTGANSPYLPFGAGRHRCIGEQFAYLQLGTIISTFVRAFDWRLETKLPAPDYTSMVVLPTQPANLVFTPRKNKA,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CC(C)=CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CO,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_f75b3d4434514f1803ffdf0f,test
catpreddb_kcat_kcat_7c9cddf71e089a,catpred_iteration1_kcat,kcat,D7BAR0,D7BAR0,MSSLTPELRQSILEHLGFLYGERAPAVLGRLEEICSGFPAQRREGGWSEKDALLITYGDQIHAEGEPPLQTLYDFLYERLRGVFSGVHLLPFYPSTSDDGFSVVDFQRVDPELGTWTDIRIIAQDFRLMADLVCNHVSASSPWFQGFLQDDPQYQGFFITVDPGTDLSTVFRPRALPLLTPFQTPSGEKLVWTTFSPDQTDLNYANPEVLLEVIEALLCYVRNGAGLIRLDAVGFIWKEIGTSCMHLEGAHRIVKLMRLVLDAVAPHVLLVSETNAPHRENISYFGNGHDEAQLVYQFPLPPLVMHTFRTGDASKLAGWAAGLTLPSERTTFFNFLASHDGIGVVPAGGILQPEEIAALVRQALEHGGRVNHKDTPDGPVPYELCLTLFDALSNPNSDEAEDLKIARFLAANVILLSLQGIPGVYIHSLFGSPSDHAGFEESGIPRRLNRHKFTKAELEERLADPASRAAKILAAYSHLLRVRSMHPAFHPNAPQRILPSTEVLRIVRGEGDQAVGCYINVTDRPQVVSRIGKNLITGQWFTGVLKPYQAAWIID,O=C(O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=P(O)(O)O,O=C(O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=P(O)(O)O,O=C(O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=P(O)(O)O>>O=C(O)[C@H](O)CO.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.0087739243075051,,,s_0058539aac40e33eed965c7c,test
catpreddb_kcat_kcat_7cb2799a844608,catpred_iteration1_kcat,kcat,J7JYU5,J7JYU5,MAQKEQITFYTHFYSPYCDRVHLALEEVKADYTVYTVDVMNKPKWYTEQINPVGKIPAITYGGPKVKPEEPSPESCKLRESLVILEFLADLFPEAGLLPTDPVLRAKARLFASDVDAHVFEGFKAYFFMREPASKLLDALDRFQQQLPARGFAVGDKWTLADMAAAPFLVRTYLLLEHDLGVYPAGEGPKTLALLRGERFARLNQYLADLRAQPSFKATWDEAAQVAIWKSNPMFKRE,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.S=C=NCCc1ccccc1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.S=C=NCCc1ccccc1,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.S=C=NCCc1ccccc1>>N[C@@H](CCC(O)=N[C@@H](CSC(S)=NCCc1ccccc1)C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.2278867046136735,,,s_acc8279b1cb8e7e619605320,test
catpreddb_kcat_kcat_7cba456af6cb21,catpred_iteration1_kcat,kcat,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H],public_strict_iteration1_fulltrue_msa,2.1684974835230326,,,s_0424465e822fd7a94a631a04,test
catpreddb_kcat_kcat_7cbaffb777d511,catpred_iteration1_kcat,kcat,P83299,P83299,AHAWGYGPTDGPDKWVSNFPIADGPRQSPIDILPGGASYDSGLKPLSLKYDPSNCLEILNNGHSFQVTFADDSDSSTLKEGPISGVYRLKQFHFHWGASNDKGSEHTVAGTKYPAELHLVHWNTKYPSFGEAASKPDGLAVVGVFLKIGDANASLQKVLDAFNDIRAKGKQTSFADFDPSTLLPGCLDYWTYDGSLTTPPLLESVTWIVCKEPISVSCEQMAKFRSLLFSAEGEPECCMVDNYRPPQPLKGRHVRASFQ,O.O=C=O,O.O=C=O,O.O=C=O>>O=C(O)O,public_strict_iteration1_fulltrue_msa,4.824125833916549,,,s_80babf1d9a72c1adaf961106,test
catpreddb_kcat_kcat_7cc188288e5e90,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,C[C@H](N=C(O)[C@H](N)CC1CCC(O)CC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](N)CC1CCC(O)CC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](N)CC1CCC(O)CC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](N)CC1CCC(O)CC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.0222763947111522,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_7cd55e836b492b,catpred_iteration1_kcat,kcat,Q5FQJ0,Q5FQJ0,MASDTIRIPGIDTPLSRVALGTWAIGGWMWGGPDDDNGVRTIHAALDEGINLIDTAPVYGFGHSEEIVGRALAEKPNKAHVATKLGLHWVGEDEKNMKVFRDSRPARIRKEVEDSLRRLRVETIDLEQIHWPDDKTPIDESARELQKLHQDGKIRALGVSNFSPEQMDIFREVAPLATIQPPLNLFERTIEKDILPYAEKHNAVVLAYGALCRGLLTGKMNRDTTFPKDDLRSNDPKFQKPNFEKYLAAMDEFEKLAEKRGKSVMAFAVRWVLDQGPVIALWGARKPGQVSGVKDVFGWSLTDEEKKAVDDILARHVPNPIDPTFMAPPARD,CC(=O)C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.376576957056512,,,s_d714fe7295deac8c6432a0b6,test
catpreddb_kcat_kcat_7cec9f13f865b5,catpred_iteration1_kcat,kcat,Q08AC1,Q08AC1,MTTRLLAYLQLGIALYHSGVRAQATLNPTDTMIISNAQVSPDGFARSAVVVNGVHPGPLLTGQKDDTFAINVVNELNDPTMLRSTSVHWHGLFQKGTNWADGAEGVNQCPISPASPENTENAFEYRFTPAGHAGTFWYHSHFGTQYCDGLRGPMVVYDPQDPYLGDYDVDNASTVITLADWFHTPAPSLRAPFRPDATLINGIGRTPGGEQVDLAVVNVEAGKKYRFRVVSLACDVNFQFSIDGHKLTIIEADGQLTDRLEVDRIQIFTGQRYSVILNANQEPGNYRIRAIPNAGVPGLVGTVDEGVNSAILRYAGAPIEEPSSDPPANPVDLREWELHAFSGPGFDPSAPGTPEIGAADVVLPLQFTFVGGKFQVNGVAYESPDVPTLLQIMSGRNPGELMPEGSVHYLPRNQVVEVQIPSGSISNSGPHPFHLHGHAFSVVRSAGNSTPNFVNPVKRDVVSIGGASDSVTIRFVTDNPGPWFFHCHIEPHLVDGLAIVFAEAMEDTVQANPLPEDREYCSVLHAFSGNLC,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O>>COC1=CC(=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O.O,public_strict_iteration1_fulltrue_msa,0.3617278360175928,,,s_5d1f7d80eb4f0e46dc133185,test
catpreddb_kcat_kcat_7ced34eb5348cd,catpred_iteration1_kcat,kcat,Q2T596,Q2T596,MTTAVLDAAQTARVTPFAELTDALRTAALDAAAGRIASPARLVVPLNEGGVMLSMPASAPDLAIHKLVTVCPRNRGSGLPTIQGQVSVVDPTTGAPLFALDGPTVTGRRTAAVTLLAMRTFLAAAPRDVLLIGTGTQAAHHVDALAALFPGVRVRVKARTAAQAAAFCERLRTVLPTLEPLGGDALPDALDAIITSTTSATPVYDEEARAGRLVVGVGAFTPEAAEVGARTIAGSALYVDDPAGARHEAGDLIVAGVDWARVRSLADALRAPAATRASASASTASDGPASGLPVFFKSVGCAAWDLAACRVAREFISRTRACT,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1CCCN1,public_strict_iteration1_fulltrue_msa,2.307496037913213,,,s_2e79ab266838958367fcf03d,test
catpreddb_kcat_kcat_7d0bf07189af19,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(C(=O)O)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C(=O)O)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C(=O)O)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,-1.6989700043360187,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_7d1831522b56e4,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)C1=CN(CCc2ccccc2)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)C1=CN(CCc2ccccc2)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)C1=CN(CCc2ccccc2)C=CC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.402304814074488,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_7d28689c722931,catpred_iteration1_kcat,kcat,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C=CCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C=CCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1C=CCCC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C1CCCCC1,public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_kcat_kcat_7d40fb985de078,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)OCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)OCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)OCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_7d6866f20ebef1,catpred_iteration1_kcat,kcat,Q9UVQ2,Q9UVQ2,MSRFQSLFFFVLVSLTAVANAAIGPVADLTLTNAQVSPDGFAREAVVVNGITPAPLITGNKGDRFQLNVIDQLTNHTMLKTSSIHWHGFFQQGTNWADGPAFVNQCPIASGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPHASLYDIDNDDTVITLADWYHVAAKLGPRFPFGSDSTLINGLGRTTGIAPSDLAVIKVTQGKRYRFRLVSLSCDPNHTFSIDNHTMTIIEADSINTQPLEVDSIQIFAAQRYSFVLDASQPVDNYWIRANPAFGNTGFAGGINSAILRYDGAPEIEPTSVQTTPTKPLNEVDLHPLSPMPVPGSPEPGGVDKPLNLVFNFNGTNFFINDHTFVPPSVPVLLQILSGAQAAQDLVPEGSVFVLPSNSSIEISFPATANAPGFPHPFHLHGHAFAVVRSAGSSVYNYDNPIFRDVVSTGQPGDNVTIRFETNNPGPWFLHCHIDFHLDAGFAVVMAEDTPDTKAANPVPQAWSDLCPIYDALDPSDL,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O,public_strict_iteration1_fulltrue_msa,2.4345689040341987,,,s_d45fcdab7810d2b63f6ed638,test
catpreddb_kcat_kcat_7d68c88f58b731,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NC(CS)C(=O)O.O,NC(CS)C(=O)O.O,NC(CS)C(=O)O.O>>CC(=O)C(=O)O.N.S,public_strict_iteration1_fulltrue_msa,-0.8239087409443188,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_7d79bc8e1c46a1,catpred_iteration1_kcat,kcat,Q59RW5,Q59RW5,MTETSISGLRGPKSMYFMEIVDVSSQESSVLSSIVESFTSAVSASNLGVYSDEVLCDIKSSLKENSPITMLPNYNVSPTGDEHGQYLVIDLGGSTLRIAVVDISKPHPNLSRSERITIVVEKSWIIGNDFKRIDGEFFKYIGSKINEILMGQNVIDVKSVINTGITWSFPLETTDYNRGKIKHVSKGYTVGEDIYDKDLKMVLEDTLRQEYGLTLDVQSILNDSLAVYSAGCFIDSKMKLAMVLGTGINMCCSLKRSSDIHPSKMLADATLFNCELSLFGQNLCKDFATKYDIIIDKRFAGLSHHFKTFMEPDPITKTLFQPHELMTSGRYLPELTRLVVVDLIEAGEIFQNVDHQQMYQEYGGFSGELICFVHENDDYDDIHDKLCKAYGWTTVGLSDIVCLKEVVSCIIKRAAFIVANAIIAFFKLLGSDELGGDVTIGYVGSVLNYFHKYRRLIVEYVNSAEEAKGIKVDLKLIENSSIIGAAIGAAYHK,CC(=O)NC1C(O)OC(CO)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CC(=O)NC1C(O)OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.03261876085072,,,s_99c65aa0c71a3df4836c53c4,test
catpreddb_kcat_kcat_7d96cc06cddc4c,catpred_iteration1_kcat,kcat,O67625,O67625,MVDIIIAEHAGFCFGVKRAVKLAEESLKESQGKVYTLGPIIHNPQEVNRLKNLGVFPSQGEEFKEGDTVIIRSHGIPPEKEEALRKKGLKVIDATCPYVKAVHEAVCQLTREGYFVVLVGEKNHPEVIGTLGYLRACNGKGIVVETLEDIGEALKHERVGIVAQTTQNEEFFKEVVGEIALWVKEVKVINTICNATSLRQESVKKLAPEVDVMIIIGGKNSGNTRRLYYISKELNPNTYHIETAEELQPEWFRGVKRVGISAGASTPDWIIEQVKSRIQEICEGQLVSS,C/C(=C\COP(=O)(O)OP(=O)(O)O)CO.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C/C(=C\COP(=O)(O)OP(=O)(O)O)CO.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C/C(=C\COP(=O)(O)OP(=O)(O)O)CO.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(C)=CCOP(=O)(O)OP(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,0.568201724066995,,,s_5775fc9e283ca437e7797c8a,test
catpreddb_kcat_kcat_7dac6b36adc945,catpred_iteration1_kcat,kcat,A3MTM6,A3MTM6,MKKVERFEVPRTIIFGPGALEKTPEVIPPSGRVLIITGKSSTRKYAERVAELLKQNCEIISYDQVELEKPGFDLVIGIGGGRPLDMAKVYSYIHKKPFVAIPTSASHDGIASPYVSFSLTQRFSKYGKISSSPVAIIADTSIILSAPSRLLKAGIGDLLGKIIAVRDWQLAHRLKGEEYSEYAAHLSLTSYKIAVGNAQKIKNFIREEDVRVLVKALIGCGVAMGIAGSSRPCSGSEHLFAHAIEVRVEKEDEVVHGELVALGTIIMAYLHGINWRRIKRIADIIGLPTSLRQANIDVDLALEALTTAHTLRPDRYTILGDGLSREAAKRALEDVELI,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)COP(=O)(O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_398e334dd7d54b01be4c4909,test
catpreddb_kcat_kcat_7dddb764c64d9e,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,-0.5086383061657274,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_7dedbfb5be52b5,catpred_iteration1_kcat,kcat,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.O=C(CC(O)C(=O)O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.O=C(CC(O)C(=O)O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.O=C(CC(O)C(=O)O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O>>COc1cc(C(=O)O)ccc1O.O=C(CC(O)C(=O)O)OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-2.0,,,s_48e9b1367836a0093d7ae75d,test
catpreddb_kcat_kcat_7e2b31160ffaee,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.3467874862246565,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_7e95da9e3ff321,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.5415792439465807,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_7e966a1c444f47,catpred_iteration1_kcat,kcat,E9QYP0,E9QYP0,MESVERKSESSYLGMRNMQPEQRLSLDPPRLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSASNIHAQPKICFLERQKQFAWHSGMLVPGSKMQISFIKDLATLRDPRSSFTFLNYLHQKGRLIHFTNLSTFLPARLEFEDYMRWCAQQFSDVVAYGEEVVEVIPGKSDPSSSVVDFFTVRSRNVETGEISARRTRKVVIAIGGTAKMPSGLPQDPRIIHSSKYCTTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPNSRTTLIMRDSAMRPSDDSPFVNEIFNPERVDKFYSQSAAERQRSLLADKATNYSVVRLELIEEIYNDMYLQRVKNPDETQWQHRILPERKITRVEHHGPQSRMRIHLKSSKPESEGAANDVKETLEVDALMVATGYNRNAHERLLSKVQHLRPTGQDQWKPHRDYRVEMDPSKVSSEAGIWLQGCNERTHGLSDSLLSVLAVRGGEMVQSIFGEQLERAAVQGHQLRAML,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCC[C@H](N)C(=O)O.O=O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCC[C@H](N)C(=O)O.O=O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCC[C@H](N)C(=O)O.O=O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCCNO)C(=O)O.O,public_strict_iteration1_fulltrue_msa,-0.0604807473813814,,,s_6efbf23cc1f6293dd0303815,test
catpreddb_kcat_kcat_7e9f75233e7a36,catpred_iteration1_kcat,kcat,Q29461,Q29461,MIRALLLSTLVAGALSCGVPTYPPQLSRVVGGEDARPNSWPWQVSLQYSSSGQWRHTCGGSLIEQNWVLTAAHCISSSRTYRVVVGRQSLSTVESGSLTIAVSKSVIHEKWNSNQLAQGNDIALLKLASSVPLTDKIQLGCLPAAGTILPNNYVCYVTGWGRLQSNGALPDILQQGKLLVVDYATCSNPSWWGSTVKTNMICAGGDGVTSSCNGDSGGPLNCQAANRQWQVHGIVSFGSSLGCNYYRKPSVFTRVSNYNDWISSVIENN,CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=N)O)[C@@H](C)CC)C(C)C.O,CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=N)O)[C@@H](C)CC)C(C)C.O,CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=N)O)[C@@H](C)CC)C(C)C.O>>CCC(C)[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O.CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(=O)O)C(C)C,public_strict_iteration1_fulltrue_msa,0.3222192947339193,,,s_35e7a4e247fbe406f6821b0a,test
catpreddb_kcat_kcat_7ea55fea3e091e,catpred_iteration1_kcat,kcat,A0A1S5R263,A0A1S5R263,MADTFTQRYALVTGANKGIGLEICRQLASKGIVVILASRDEKRGLEARERLLKESRSISDGDVVFHQLDVVDPASVVVVADFIKTKFGRLDILVNNAGVGGVEIEGDISVFQEYAEANLNIIAAKGAQAHPFHPKTNGKMIETLKDAKECIETNYYGTKRVTEALIPLLQKSDSPTIVNVSSALSTLLLQPNEWAKGVFSSEDSSLNEEKVEEVLHEFHKDFIDGKLQQNNWPPNFAAYKVSKEAVNAYTRIIARKYPSFCINSVCPGFVRTDICYSLGQLSEAEGAEAPVKLALLPRGGPSGSFFFREEALSLY,CC(C)[C@@H]1CC[C@@H](C)CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(C)[C@@H]1CC[C@@H](C)CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(C)[C@@H]1CC[C@@H](C)CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,3.412964271996662,,,s_2b36d9cf1f15751f8b1cf0b8,test
catpreddb_kcat_kcat_7eb732c486f626,catpred_iteration1_kcat,kcat,G5EBD7,G5EBD7,MRIGIIGLGRMGGNIAVRLTRHGHDVVVHDRTSEVTTSVVGRCEAGRATPADTLADMAKLLEGDEHRVVWVMLPAGAITEDCVQQLGGLLGRGDIIIDGGNTYYKDDVRRSAELAEKGISYVDVGTSGGVWGLERGYCMMFGGTKETAEYIDPILSALAPGIGDVPRTPGRDEAGHDPRAEQGYLHCGPAGSGHFVKMVHNGIEYGMMQAFAEGFDIMKSKNSPILAEKDRFELNMGDIAEVWRRGSVVSSWLLDLTAEALTRSETLNEFSGEVADSGEGRWTIEAAIEEDVPAPVMTAALFTRFRSRSGNNFAEKILSAQRFGFGGHVEKK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,1.3617278360175928,,,s_b085025cb90a58e245a85d0b,test
catpreddb_kcat_kcat_7ec17e54cd3422,catpred_iteration1_kcat,kcat,F6IXY6,F6IXY6,MKVIVIGCTHAGTAAVNQILASNPETDVTIYERNDNVSFLSCGIALYLGGEVADPQGLFYSSPEQLAKLGANVHMQHDVTDVDTENHEITVTDLKTGESKKDYYDKLVVTTGSWPVIPPIDGIDSPNVYLCKNWTHAQSLWEAAKPAKRVIVIGGGYIGTELVEAYQKQGKEVTLIDGLPRILNKYLDKGFTDRVEKDFVDHGIKMALNQMVKGFSDDGKEVTVKTDKGSYTADMAILCVGFRPNTSLLKGKVDMNPNGSIKTNDYMQTSDPDIYGAGDSVAVHYNPTKKDAYIPLATNAVRQGTLVGLNIFKPTRKYMGTQSTSGLMLFGKTIVSSGMTLEHAQAEKVPAEAVTFEDNYRPEFMPTTKPVLMQLVYNPETREILGAQFMSEHDVSQSANVISVMIQNHNTIDDLGFVDMFFQPIYDRPFNYLNLLGQAAIAHAAEKVTE,CN1C=CCC(C(=N)O)=C1.O=O.[H+],CN1C=CCC(C(=N)O)=C1.O=O.[H+],CN1C=CCC(C(=N)O)=C1.O=O.[H+]>>C[n+]1cccc(C(=N)O)c1.O,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,,,s_ff0e45f2a0a3549e1b2abf1d,test
catpreddb_kcat_kcat_7ee4e2a43554aa,catpred_iteration1_kcat,kcat,P09147,P09147,MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-3.5850266520291822,1.421603926869831,,s_4369495df3d7617c874a103e,test
catpreddb_kcat_kcat_7f457ed59f8216,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)CC(=O)C(=O)[O-].CCCC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)[O-].CCCC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)[O-].CCCC[C@H](N)C(=O)O>>CC(C)C[C@H](N)C(=O)O.CCCCC(=O)C(=O)[O-],public_strict_iteration1_fulltrue_msa,2.414973347970818,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_7f49afd8d6bcae,catpred_iteration1_kcat,kcat,Q97UB2,Q97UB2,MPAKLNSPSRYHGIYNAPHRAFLRSVGLTDEEIGKPLVAIATAWSEAGPCNFHTLALARVAKEGTKEAGLSPLAFPTMVVNDNIGMGSEGMRYSLVSRDLIADMVEAQFNAHAFDGLVGIGGCDKTTPGILMAMARLNVPSIYIYGGSAEPGYFMGKRLTIEDVHEAIGAYLAKRITENELYEIEKRAHPTLGTCSGLFTANTMGSMSEALGMALPGSASPTATSSRRVMYVKETGKALGSLIENGIKSREILTFEAFENAITTLMAMGGSTNAVLHLLAIAYEAGVKLTLDDFNRISKRTPYIASMKPGGDYVMADLDEVGGVPVVLKKLLDAGLLHGDVLTVTGKTMKQNLEQYKYPNVPHSHIVRDVKNPIKPRGGIVILKGSLAPEGAVIKVAATNVVKFEGKAKVYNSEDDAFKGVQSGEVSEGEVVIIRYEGPKGAPGMPEMLRVTAAIMGAGLNNVALVTDGRFSGATRGPMVGHVAPEAMVGGPIAIVEDGDTIVIDVESERLDLKLSEEEIKNRLKRWSPPSPRYKSGLLAKYASLVSQASMGAVTRPA,O=C(O)[C@H](O)CO,O=C(O)[C@H](O)CO,O=C(O)[C@H](O)CO>>CC(=O)C(=O)O.O,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_b7f02f5e3954509c756d9b9c,test
catpreddb_kcat_kcat_7f5152336c9fd9,catpred_iteration1_kcat,kcat,P0C0Q1,P0C0Q1,MKKRFLSICTMTIAALATTTMVNTSYAKTDTESHNHSSLGTENKNVLDINSSSHNIKPSQNKSYPSVILPNNNRHQIFNTTQGHYDAVSFIYIPIDGGYMSGSGVVVGENEILTNKHVVNGAKGNPRNISVHPSAKNENDYPNGKFVGQEIIPYPGNSDLAILRVSPNEHNQHIGQVVKPATISSNTDTRINENITVTGYPGDKPLATMWESVGKVVYIGGEELRYDLSTVGGNSGSPVFNGKNQVIGIHYGGVDNKYNSSVYINDFVQQFLRNNIPDINIQ,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(C)C)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(C)C)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(C)C)ccc12.O>>,public_strict_iteration1_fulltrue_msa,3.9570802596579,,,s_dfca017ca259520f2ef633f8,test
catpreddb_kcat_kcat_7f576509094bd6,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O,public_strict_iteration1_fulltrue_msa,1.1986570869544226,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_7f8b3e14ebac8f,catpred_iteration1_kcat,kcat,Q6WNR0,Q6WNR0,MGILSYLCYSLFYLSIFFIIRLLFQSRKFKNLPPGPTSLPIIGNLHHLKRPLNRTFKALTEKYGNVISLWFGSRLVVVVSSLSEFQECFTKNDVVLANRPRFLSGKYIFYNYTTLGSTSYGEHWRNLRRITSLDVLSNHRINNFAPIRRDETQRLIKKLAEDSSTKFAEVELTFRFFDMTFNNIMRMISGKRYYGDDCDISEVQEASQFRDMVSELLQLSGANNKTDFMPLLKFLDFENLEKRVKRIGEKNDVFLSGLLQEQRSKKERTNTMIDHLLNMQESQPEYYTDTIIKGLCLAMLLAGTDSSAVTLEWTMSNILNYPEVLKKVRDEVDTHVGQDRLVDESDLPKLTYLRNVIYETLRLYTPAPLLLPHSTADECIMGGYKVPRDTIVLINAWAIHRDPETWSEATTFKPERFDKKGELEKMIAFGMGRRACPGEGLALRAISMTLALLVQCFDWKRINDEKIDMSERDGFTMTKLLPLKAMCKTRPVVNKVFK,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.O=O,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.O=O,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.O=O>>COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1.O,public_strict_iteration1_fulltrue_msa,-1.8239087409443189,,,s_bacc29394cd254b63d714887,test
catpreddb_kcat_kcat_7fa029c5d85b9d,catpred_iteration1_kcat,kcat,P25500,P25500,MPFPVTTQGSQQTQPPQKHYGITSPISLAAPKETDCLLTQKLVETLKPFGVFEEEEELQRRILILGKLNNLVKEWIREISESKNLPQSVIENVGGKIFTFGSYRLGVHTKGADIDALCVAPRHVDRSDFFTSFYDKLKLQEEVKDLRAVEEAFVPVIKLCFDGIEIDILFARLALQTIPEDLDLRDDSLLKNLDIRCIRSLNGCRVTDEILHLVPNIDNFRLTLRAIKLWAKRHNIYSNILGFLGGVSWAMLVARTCQLYPNAIASTLVHKFFLVFSKWEWPNPVLLKQPEECNLNLPVWDPRVNPSDRYHLMPIITPAYPQQNSTYNVSVSTRMVMVEEFKQGLAITDEILLSKAEWSKLFEAPNFFQKYKHYIVLLASAPTEKQRLEWVGLVESKIRILVGSLEKNEFITLAHVNPQSFPAPKENPDKEEFRTMWVIGLVFKKTENSENLSVDLTYDIQSFTDTVYRQAINSKMFEVDMKIAAMHVKRKQLHQLLPSHVLQKKKKHSTEGVKLTPLNDSSLDLSMDSDNSMSVPSPTSAMKTSPLNSSGSSQGRNSPAPAVTAASVTNIQATEVSLPQINSSESSGGTSSESIPQTATQPAISSPPKPTVSRVVSSTRLVNPPPRPSGNAAAKIPNPIVGVKRTSSPHKEESPKKTKTEEDETSEDANCLALSGHDKTETKEQLDTETSTTQSETIQTATSLLASQKTSSTDLSDIPALPANPIPVIKNSIKLRLNR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.3575537197430816,-0.614993309325896,,s_9123c2e4aed2d1669d75074f,test
catpreddb_kcat_kcat_7fb6968d8d5f61,catpred_iteration1_kcat,kcat,P42801,P42801,MFIESFKVESPNVKYTENEIHSVYDYETTEVVHEKTVNGTYQWIVKPKTVKYDFKTDIRVPKLGVMLVGLGGNNGSTLTAGVIANKEGISWATKDKVQQANYFGSLTQASSIRVGSFNGEEIYAPFKSLLPMVNPDDVVFGGWDISDMNLADAMARARVLDIDLQKQLRPYMENIVPLPGIFDPDFIAANQGSRANHVIKGTKKEQVDHIIKDMREFKEKNKVDKVVVLWTANTERYSNVVVGMNDTMENLMESVDRDEAEISPSTLYAIACVLEGIPFINGSPQNTFVPGLIDMAIRNNVLIGGDDFKSGQTKMKSVLVDFLVGAGIKPTSIVSYNHLGNNDGMNLSAPQTFRSKEISKSNVVDDMVASNGILFEPGEHPDHVVVIKYVPYVADSKRAMDEYTSEIFMGGKNTIVMHNTCEDSLLAAPIILDLVLLAELSTRIQFKSEGEGKFHSFHPVATILSYLTKAPLVPPGTPVINALSKQRAMLENIMRACVGLAPENNMIMEFK,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O>>O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.584331224367531,-0.1674910872937636,,s_55d7aff8c1bb0ab170027d37,test
catpreddb_kcat_kcat_7fd1b646848341,catpred_iteration1_kcat,kcat,I3EBM6,I3EBM6,MPLVSMTEMLNKAKAEGYAVGQFNLNNLEFTQAILLAAEEEKSPVILGVSEGAGRYMGGFKTVVNMVKGLMEDYKITVPVAIHLDHGSSFEKCKEVIDAGFTSVMIDASHHPFEENVEVTKKVVEYAHARGVSVEAELGTVGGQEDDVIADGVIYADPKECEELVKRTGIDCLAPALGSVHGPYKGEPNLGFKEMEEIGRITGVPLVLHGGTGIPTKDIQRAISLGTAKINVNTENQIASAKKVREVLAENPNMYDPRKYLGPARDAIKETVIGKMREFGSSGKA,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>O=C(CO)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.7075701760979364,-0.7958800173440752,,s_dfd08d794d93cb583b2aee40,test
catpreddb_kcat_kcat_802919e235d852,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O>>CC[C@H](C)[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,3.1812717715594614,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_8046f4a99d48d7,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.2041199826559248,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_804b758a300e03,catpred_iteration1_kcat,kcat,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,O,O,O>>NC(N)=O.O=C(O)CCCCS,public_strict_iteration1_fulltrue_msa,1.6812412373755872,,,s_58345ae90df4d9185ef408b3,test
catpreddb_kcat_kcat_805022b47f6a44,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>CC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,3.143639235274544,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_806b11fd96ebc2,catpred_iteration1_kcat,kcat,Q8GW43,Q8GW43,MADHSWDKTVEEAVNVLESRQILRSLRPICMSRQNEEEIVKSRANGGDGYEVFDGLCQWDRTSVEVSVSIPTFQKWLHDEPSNGEEIFSGDALAECRKGRFKKLLLFSGNDYLGLSSHPTISNAAANAVKEYGMGPKGSALICGYTTYHRLLESSLAQLKKKEDCLVCPTGFAANMAAMVAIGSVASLLAASGKPLKNEKVAIFSDALNHASIIDGVRLAERQGNVEVFVYRHCDMYHLNSLLSNCKMKRKVVVTDSLFSMDGDFAPMEELSQLRKKYGFLLVIDDAHGTFVCGENGGGVAEEFNCEADVDLCVGTLSKAAGCHGGFIACSKKWKQLIQSRGRSFIFSTAIPVPMAAAAYAAVVVARKEIWRRKAIWERVKEFKELSGVDISSPIISLVVGNQEKALKASRYLLKSGFHVMAIRPPTVPPNSCRLRVTLSAAHTTEDVKKLITALSSCLDFDNTATHIPSFLFPKL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O.C[C@H](N)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O.C[C@H](N)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O.C[C@H](N)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(N)C(=O)CCCCCC(=O)O.O=C=O,public_strict_iteration1_fulltrue_msa,-0.958607314841775,,,s_d50b2275aed2d155d2bcd75f,test
catpreddb_kcat_kcat_80711bb93ca70a,catpred_iteration1_kcat,kcat,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.2441251443275083,,,s_20763196f05a193ee16b396c,test
catpreddb_kcat_kcat_80c7562b03175b,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.2441251443275083,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_80eaf24f3e1902,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,C/C=C/C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,C/C=C/C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,C/C=C/C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCCC(C)=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_8140f32daaa6a5,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O>>CC1(C)C(C(=O)[O-])C1(C)C.O=Cc1cccc(Oc2ccccc2)c1.[C-]#N,public_strict_iteration1_fulltrue_msa,0.4166405073382809,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_81435cf04fc17d,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.294025094095322,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_8170c063c0f656,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=COC(=O)CC.O,C=COC(=O)CC.O,C=COC(=O)CC.O>>*CC(*)O.CCC(=O)O,public_strict_iteration1_fulltrue_msa,3.290034611362518,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_817c48d7e89fe3,catpred_iteration1_kcat,kcat,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O>>CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O,public_strict_iteration1_fulltrue_msa,0.9444826721501688,-1.214670164989233,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_kcat_kcat_818396722cb79a,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1.O>>O=Cc1cccc(Oc2ccccc2)c1.[C-]#N,public_strict_iteration1_fulltrue_msa,0.1072099696478683,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_818af6480ff723,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C\C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.9393021596463884,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_819a78ba4919e3,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_81bf8c7a0df563,catpred_iteration1_kcat,kcat,Q8GAJ0,Q8GAJ0,MGRIGILGAGLAGLAAATKLAEAGENVTVFEARNRPGGRVWSETLDTPKGSYVIERGAEFVLDGYTSMRRLLSQFGLSLVDTGMSYYVREPGDTTGITCDDIIRTGREALELASGSGLQGTAEELLAKLPDEPELVDALRARIEISTAVSASEVTARSLQHIASFEPKPSWRVAGGNQRLPDAMAAALGSAVRYGETVRAVENISDGGVLVTTDTDTSVFDTVVVALPLAVIRDSQLNLPTTEARDAALKHVLQGHAAKLHLPLETQPATSAVMSVEGRYWTWTATDESGAVAPVLNAFMGSPSAITRANLKQRPAEWVAKARALRTDLAIPQDAAALTTVWSEDQLAGGAYAAHAPGVTAAGTALLEKPVGDVFWAGEYSEPEFVGLMEGAIRSGERAAGRVMQRLETKSGNSDSERSKA,NCCCC(=O)O.O.O=O,NCCCC(=O)O.O.O=O,NCCCC(=O)O.O.O=O>>N.O=CCCC(=O)O.OO,public_strict_iteration1_fulltrue_msa,2.9434945159061026,,,s_e43b37a4fcd802b5650850fb,test
catpreddb_kcat_kcat_81c6ab53bf4238,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,-1.494850021680094,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_81c9d220823385,catpred_iteration1_kcat,kcat,A0A229Y8S8,A0A229Y8S8,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,1.0253058652647702,,,s_a6432c9e3ec244d8753afdde,test
catpreddb_kcat_kcat_81cd63fb4549e6,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC.O>>CCCC(=O)O.CCCC(=O)OCC(CO)OC(=O)CCC,public_strict_iteration1_fulltrue_msa,1.977723605288848,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_81d11ed1bc9628,catpred_iteration1_kcat,kcat,B2ZHM6,B2ZHM6,MAEALEVFVKAATGAPDKLGDCPFSQRVLLTLEEKQVPYNMKLIDTSNKPEWFLQINPEGKVPVIKIDDKWIPDSDVITQILEEKYPEPPLATPPEKATVGSKIFSTFIGFLKSKDPNDGTEQALLNELRAFDEYLKDNGPFINGEKISAADLSLAPKLYHMKVALGHFKKWSVPEEFTYVQSYMKAVFSRESFQRTNAADEQYIIAGWFPKVNA,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=C1CCC(=O)C1=O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=C1CCC(=O)C1=O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=C1CCC(=O)C1=O>>N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.607776603741693,,,s_80559dadf76019b5f34f3c20,test
catpreddb_kcat_kcat_81e6906dcc3ac6,catpred_iteration1_kcat,kcat,A0A7I8I5R5,A0A7I8I5R5,MYDLIVIGAGSGGVRASRISAGHGAKVALIEPSLSHGPPNFSAVGGTCVNVGCVPKKLMVYGSHMSHDLHYAKSYGWHTPDHVAHDWGTLMANKDKEISRLNGVYINMLKNSGVDLIQGFGSFVDAHTVAIKADQAENPAGRTITGDKVLIATGSWPFVPDIPGKEYCVTSNEAFYLRECPKRIVIVGGGYIAVEFACIFKGYGADVTLMYRGEMFLRGFDDDIRRHLCTEMQELGVHVQLQTNPAKVEKKEDGTYEVTTEKGEVVAADLVMYATGRNPNVKALGLEAVGVELLPKNGAIKVDAYSRTTVDNIYAVGDVTDRINLTPVALHEGHCLADTLFGGKDRKPCHDLVAAAVFSQPPIGTVGLTTERAIQRHERVAVYKSTFRPMLHTMTGAATKALMKILVDVDTDKVLGVHMCGPDAAEIIQGIAIALKMGATKADFDATIGIHPSSAEEFVTMRSPAYYYVKGEKVEKLP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCCNCCCN=C(O)CN=C(O)[C@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN)N=C(O)CC[C@H](N)C(=O)O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCCNCCCN=C(O)CN=C(O)[C@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN)N=C(O)CC[C@H](N)C(=O)O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCCNCCCN=C(O)CN=C(O)[C@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN)N=C(O)CC[C@H](N)C(=O)O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCCNCCC(N)NC(CCC(O)=NC(CS)C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.383815365980431,,,s_0c8b8c2eb2d3f1d4266374b8,test
catpreddb_kcat_kcat_81f9e7daa2cdcc,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc3)C[C@H]1CN2.O,public_strict_iteration1_fulltrue_msa,0.9395192526186184,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_8228566ecc7c70,catpred_iteration1_kcat,kcat,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,O.O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O.O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O.O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O>>O=C(O)/C=C/c1ccc(O)c(O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,public_strict_iteration1_fulltrue_msa,1.2787536009528289,,,s_9e06a86c4d466395e96365e4,test
catpreddb_kcat_kcat_8272a0c36aca8b,catpred_iteration1_kcat,kcat,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O.O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(CO)[C@H](O)[C@H](O)CO.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.744727494896694,,,s_38095aa1b1ee0421254bd92b,test
catpreddb_kcat_kcat_8287a5cc9924ff,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.7212463990471711,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_82a45e5e83c1d8,catpred_iteration1_kcat,kcat,Q9SAH9,Q9SAH9,MLVDGKLVCVTGAGGYIASWIVKLLLERGYTVRGTVRNPTDPKNNHLRELQGAKERLTLHSADLLDYEALCATIDGCDGVFHTASPMTDDPETMLEPAVNGAKFVIDAAAKAKVKRVVFTSSIGAVYMNPNRDTQAIVDENCWSDLDFCKNTKNWYCYGKMLAEQSAWETAKAKGVDLVVLNPVLVLGPPLQSAINASLVHILKYLTGSAKTYANLTQVYVDVRDVALGHVLVYEAPSASGRYILAETALHRGEVVEILAKFFPEYPLPTKCSDEKNPRAKPYKFTTQKIKDLGLEFKPIKQSLYESVKSLQEKGHLPLPQDSNQNEVIIES,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=CC=Cc1ccc(O)c(O)c1,public_strict_iteration1_fulltrue_msa,1.717670503002262,,,s_b5f6d9163eaf383b66897a43,test
catpreddb_kcat_kcat_82cbf04b8f01f6,catpred_iteration1_kcat,kcat,A8RG82,A8RG82,MRYFKEEVAGMKYGIYFAYWTKEWFADYKKYMDKVSALGFDVLEISCAALRDVYTTKEQLIELREYAKEKGLVLTAGYGPTKAENLCSEDPEAVRRAMTFFKDLLPKLQLMDIHILGGGLYSYWPVDFTINNDKQGDRARAVRNLRELSKTAEECDVVLGMEVLNRYEGYILNTCEEAIDFVDEIGSSHVKIMLDTFHMNIEETNMADAIRKAGDRLGHLHLGEQNRLVPGKGSLPWAEIGQALRDINYQGAAVMEPFVMQGGTIGSEIKVWRDMVPDLSEEALDRDAKGALEFCRHVFGI,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O>>OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.6720978579357175,2.530199698203082,,s_45bb25d72d8311bbac7d6ed9,test
catpreddb_kcat_kcat_831f1fe723fb76,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)C(=O)O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)C(=O)O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)C(=O)O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.82865989653532,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_8373b97575f17c,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,O.O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O.O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O.O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12>>,public_strict_iteration1_fulltrue_msa,1.9684829485539352,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_837a3b035b4b45,catpred_iteration1_kcat,kcat,C5BN23,C5BN23,MRNPLRYTLLAFLLGHLGIAQSAPLTADQDHAQLLHVLGIENLRRGADGNTDSPFAANTDEAKANTALDSLPPLLTSVSGQAIASATDWEANRPALLNTFSQEIYGYVPGGAPELHWKAGSTTPIDDSGTSAIRQHFTSTLVHPENAALNLSLNFTLVLPKSNKPVPVVVVMSFDPGIWERFRDRMPAERYAQIQADNARWREQVVNAGWGYAEIIPTEFQADSGDGLSQGIIGFVNNGKPRNPTDWGALRAWAWSASQVLTYLQTDSRVAADRISVHGHSRFGKAALVAMAFDNRFAAGFISSSGEGGAKLWRRNFGEQVGNLAGAGEYHWMAGNFVKYAGPKKVNDIPVDAHQLLALCAPRPVLVSVGSQGESWVDPKGMLLAAYHATPAYALFGEQGVTQNELPAVGNGLLAGKLAFRQHEGGHTPAPNWETFITFATRQWASPNRLK,COC(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O,COC(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O,COC(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O>>CO.O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.9208187539523751,,,s_21282d4f8da81a8e39870ab1,test
catpreddb_kcat_kcat_83bdf9625c1058,catpred_iteration1_kcat,kcat,O95340,O95340,MSGIKKQKTENQQKSTNVVYQAHHVSRNKRGQVVGTRGGFRGCTVWLTGLSGAGKTTISFALEEYLVSHAIPCYSLDGDNVRHGLNRNLGFSPGDREENIRRIAEVAKLFADAGLVCITSFISPFAKDRENARKIHESAGLPFFEIFVDAPLNICESRDVKGLYKRARAGEIKGFTGIDSDYEKPETPERVLKTNLSTVSDCVHQVVELLQEQNIVPYTIIKDIHELFVPENKLDHVRAEAETLPSLSITKLDLQWVQVLSEGWATPLKGFMREKEYLQVMHFDTLLDDGVINMSIPIVLPVSAEDKTRLEGCSKFVLAHGGRRVAILRDAEFYEHRKEERCSRVWGTTCTKHPHIKMVMESGDWLVGGDLQVLEKIRWNDGLDQYRLTPLELKQKCKEMNADAVFAFQLRNPVHNGHALLMQDTRRRLLERGYKHPVLLLHPLGGWTKDDDVPLDWRMKQHAAVLEEGVLDPKSTIVAIFPSPMLYAGPTEVQWHCRSRMIAGANFYIVGRDPAGMPHPETKKDLYEPTHGGKVLSMAPGLTSVEIIPFRVAAYNKAKKAMDFYDPARHNEFDFISGTRMRKLAREGENPPDGFMAPKAWKVLTDYYRSLEKN,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=S(=O)(O)O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=S(=O)(O)O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=S(=O)(O)O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_203359cbff183c4d5b59de5f,test
catpreddb_kcat_kcat_83d5091105dd4c,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O.O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O.O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O.O>>Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.5185139398778875,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_83f3bd46eeddaf,catpred_iteration1_kcat,kcat,A0A0M3KL39,A0A0M3KL39,SNAMKDFHFDAISAFENYEIEKMRDGHVVVTTKVVNSSLNYYGNAHGGYLFTLCDQISGLVVISLGLDGVTLQSSINYLKAGKLDDVLTIKGECVHQGRTTCVMDVDITNQEGRNVCKATFTMFVTGQRSEERRVRI,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCC(=O)[O-],public_strict_iteration1_fulltrue_msa,1.515873843711679,,,s_f51e5d7b971b5266c68cae6b,test
catpreddb_kcat_kcat_83fcbe4e439441,catpred_iteration1_kcat,kcat,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1.O>>,public_strict_iteration1_fulltrue_msa,0.4771212547196624,,,s_48d0e57876a633501632a01a,test
catpreddb_kcat_kcat_840d9ec1f40071,catpred_iteration1_kcat,kcat,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC(N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,2.7634279935629373,,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_kcat_kcat_843efe003869f2,catpred_iteration1_kcat,kcat,O29610,O29610,MQYEKVKPPENGEKIRYENGKLIVPDNPIIPYFEGDGIGKDVVPAAIRVLDAAADKIGKEVVWFQVYAGEDAYKLYGNYLPDDTLNAIKEFRVALKGPLTTPVGGGYRSLNVTIRQVLDLYANVRPVYYLKGVPSPIKHPEKVNFVIFRENTEDVYAGIEWPRGSEEALKLIRFLKNEFGVTIREDSGIGIKPISEFATKRLVRMAIRYAIENNRKSVTLVHKGNIMKYTEGAFRDWGYEVAKQEFGEYCITEDELWDKYGGKQPEGKIVVKDRIADNMFQQILTRTDEYDVIALPNLNGDYLSDAAAALIGGLGIAPGSNIGDGIGVFEPVHGSAPKYAGQNKVNPTAEILTGALMFEYIGWKDASEMIKKAVEMTISSGIVTYDIHRHMGGTKVGTREFAEAVVENLQSL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,2.406540180433955,,,s_5d09c2f232622d7ffb91a1fc,test
catpreddb_kcat_kcat_8445a6036df6e1,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCCCN.O.O=O,NCCCCN.O.O=O,NCCCCN.O.O=O>>N.NCCCC=O.OO,public_strict_iteration1_fulltrue_msa,0.2787536009528289,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_846541eb7d39c2,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)C[C@H](N)C(=O)O.CCCCC(=O)C(=O)[O-],CC(C)C[C@H](N)C(=O)O.CCCCC(=O)C(=O)[O-],CC(C)C[C@H](N)C(=O)O.CCCCC(=O)C(=O)[O-]>>CC(C)CC(=O)C(=O)O.CCCCC(N)C(=O)[O-],public_strict_iteration1_fulltrue_msa,2.041392685158225,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_847f5ba2c066a8,catpred_iteration1_kcat,kcat,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,Cc1cc(=O)oc2cc(N=C(O)[C@H](N)CCCNC(=N)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](N)CCCNC(=N)N)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](N)CCCNC(=N)N)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCC[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.6334684555795866,,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_kcat_kcat_84838bb8f7b282,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_848b0425baad46,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.O>>Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.0293837776852097,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_849ef395d3e22c,catpred_iteration1_kcat,kcat,Q8N4J0,Q8N4J0,MQRRRRPPPPTSRLPEGCGGGGGGSEEVEVQFSAGRWGSAAAVSAAAAAATRSTEEEEERLEREHFWKIINAFRYYGTSMHERVNRTERQFRSLPANQQKLLPQFLLHLDKIRKCIDHNQEILLTIVNDCIHMFENKEYGEDGNGKIMPASTFDMDKLKSTLKQFVRDWSETGKAERDACYQPIIKEILKNFPKERWDPSKVNILVPGAGLGRLAWEIAMLGYACQGNEWSFFMLFSSNFVLNRCSEINKYKLYPWIHQFSNNRRSADQIRPIFFPDVDPHSLPPGSNFSMTAGDFQEIYSECNTWDCIATCFFIDTAHNVIDYIDTIWKILKPGGIWINLGPLLYHFENLANELSIELSYEDIKNVVLQYGFKVEVEKESVLSTYTVNDLSMMKYYYECVLFVVRKPQ,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O>>Cn1cncc1C[C@H](N=C(O)CCN)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.6989700043360187,,,s_480b955f6b56cd604a59a8c8,test
catpreddb_kcat_kcat_84abdd1e8590ec,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,CC(C=CC(=O)O)=CC(=O)O,CC(C=CC(=O)O)=CC(=O)O,CC(C=CC(=O)O)=CC(=O)O>>CC1=CC=CCOC1=O,public_strict_iteration1_fulltrue_msa,5.033423755486949,-1.00436480540245,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_84ad32b6ef75ef,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>O=P(O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.3010299956639813,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_84cb5081365ea0,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CCC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCC(=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCC(O)C(=O)[O-].N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.0,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_84d19e7f3c1960,catpred_iteration1_kcat,kcat,Q9RUB5,Q9RUB5,MNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFFDPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV,CC(=O)C(=O)O.O=C[C@H](O)COP(=O)(O)O,CC(=O)C(=O)O.O=C[C@H](O)COP(=O)(O)O,CC(=O)C(=O)O.O=C[C@H](O)COP(=O)(O)O>>CC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O.O=C=O,public_strict_iteration1_fulltrue_msa,0.8976270912904415,,,s_6a1c7eefe6967fc0409ab45c,test
catpreddb_kcat_kcat_8509fe28f716d9,catpred_iteration1_kcat,kcat,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.6840296545430823,,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_kcat_kcat_852d90fb169d52,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC1OC[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC1OC[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,1.7853298350107671,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_8546d59be8093a,catpred_iteration1_kcat,kcat,Q9L555,Q9L555,MKVLFTTFAAKSHMHAQVPLAWALQTAGHEVRIASQPDLAEDITRTGLTAVCVGEPLLLEEQMQRVNEGLGDDAEIMESQAEAGMDMTETRPEMLTWDHVLGVFTSMTAMAFQNSCPERMIDDVVAFAREWQPDLIVWDTLSFAGPVAAQVTGAAHARLLFGLDLLGRMRETFLDLQEERLPEQRDDPLREWLTWTLGRYGAEFEEEVAVGQWTVDPVPPSMRFPVKQPFVPLRYIPYNGQAVIPDWLHEPPKKRRVCLTLGVAHREVLDGDRASIGELVEALAELDVEVVATLNEKQLAGMELPDNVRAVDFVPLNALLPTCSAVIHHGGSGTFQTALAHGVPQLIVPDMVWDTIHKAKQLERFGAGLYLHDVDNYTAQDLRDHLLRLLEEPSFAENCARIRREMVGTPSPNDIVPLLEKLTAEHRRDRGARGTVRGEQ,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O>>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,public_strict_iteration1_fulltrue_msa,0.0374264979406236,,,s_97ef0c32eac98fa1480a9b5a,test
catpreddb_kcat_kcat_85658053ab7619,catpred_iteration1_kcat,kcat,Q06121,Q06121,MPRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAEYKRKSPSGLDVERDPIEYSKFMERYAVGLSILTEEKYFNGSYETLRKIASSVSIPILMKDFIVKESQIDDAYNLGADTVLLIVKILTERELESLLEYARSYGMEPLIEINDENDLDIALRIGARFIGINSRDLETLEINKENQRKLISMIPSNVVKVAESGISERNEIEELRKLGVNAFLIGSSLMRNPEKIKEFIL,O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>O.O=C=O.O=C=O,public_strict_iteration1_fulltrue_msa,0.3222192947339193,-4.107957005783045,,s_a5678301cecc2d1e42270d7e,test
catpreddb_kcat_kcat_856599205dbf4d,catpred_iteration1_kcat,kcat,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O,N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O,N=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])O.[H],public_strict_iteration1_fulltrue_msa,-1.0,,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_kcat_kcat_858e005a0cdf70,catpred_iteration1_kcat,kcat,D4N500,D4N500,MEKAKLMKLGNGMEIPSVQELAKLTLAEIPSRYVCANENLLLPMGASVINDHETIPVIDIENLLSPEPIIGKLELDRLHFACKEWGFFQVVNHGVDASLVDSVKSEIQGFFNLSMDEKTKYEQEDGDVEGFGQGFIESEDQTLDWADIFMMFTLPLHLRKPHLFSKLPVPLRETIESYSSEMKKLSMVLFNKMEKALQVQAAEIKGMSEVFIDGTQAMRMNYYPPCPQPNLAIGLTSHSDFGGLTILLQINEVEGLQIKREGTWIAVKPLPNAFVVNVGDILEIMTNGIYHSVDHRAVVNSTNERLSIATFHDPSLESVIGPISSLITPETPALFKSGSTYGDLVEECKTRKLDGKSFLDSMRI,COC1=CC=C2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5.O=C(O)CCC(=O)C(=O)O.O=O,COC1=CC=C2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5.O=C(O)CCC(=O)C(=O)O.O=O,COC1=CC=C2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5.O=C(O)CCC(=O)C(=O)O.O=O>>C=O.CN1CCC23c4c5ccc(O)c4OC2C(=O)C=CC3C1C5.O=C(O)CCC(=O)O.O=C=O,public_strict_iteration1_fulltrue_msa,-1.7189666327522726,,,s_e36fe41b61be86b8015e2b49,test
catpreddb_kcat_kcat_85ba7c86e52451,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccccc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccccc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccccc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(N)NCCC[C@H](N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.N=C(O)CC[C@H](N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_860d2910126b9b,catpred_iteration1_kcat,kcat,E2GHW5,E2GHW5,SSLPAGRDVSIVQLSNQPPSDLPTTWQWTSTGPLVGPKNDGRGIAGIKDPTIILINGTHHVFASTAQSAGYNLVYFTFADWADAPNATFYYLDQAPLGTGYRAAPQVFWFAPHKLWYLVYQNGNAAYSTNPDINNPKGWTAPKVFYPDGMPKIIEQNIGEGYWVDMWVICDSASCHLFSSDDNGQLYRSETSLEQFPNGMSQPVIAMQDNRNDLFEAACVYSLPDGKYLLLVEAIGTDGHRWFRSWTADSIRGPWQGLANTEQNPWARSNNVQFDGDVWTKSISHGEIIRDGTVDEKLLIDPCNIRFMYQGMDPSAGGEYNALPWRLGFIAHNNPAC,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.4202164033831898,,,s_3f88e77e9a8d3f08649c67e2,test
catpreddb_kcat_kcat_8612f34eb7c94d,catpred_iteration1_kcat,kcat,A0A385MQ73,A0A385MQ73,MTNLAPLTWQDCVQPDWQVSPRVRALITTRDGGVSEGPYGRWQGAEALPGGMNLGLHTGDDPAHVAGNRARLLALAGQSSAAWLEQVHGAQIVRADEVIAAAPAALAPVQADASVTDRAGAVCVVMVADCLPVLLCDTQGRAVGAAHAGWRGLAAGIVEQTAARVAALAGGATDALHAYLGPATGPRAFEVGADVRDAFLDTAPQSEHDETRLAFVAIDGAPGKFLADLYALARLRLARAGVAHVSGGTACTVTEQARFYSYRRDRVTGRMAAAIWLAG,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O>>O,public_strict_iteration1_fulltrue_msa,3.065288344700158,,,s_948ccaa461e967d2a5ceae33,test
catpreddb_kcat_kcat_864cc3ec4d4e63,catpred_iteration1_kcat,kcat,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,CC(=O)OC[C@H](N)C(=O)O.O,CC(=O)OC[C@H](N)C(=O)O.O,CC(=O)OC[C@H](N)C(=O)O.O>>CC(=O)C(=O)[O-].CC(=O)O.N,public_strict_iteration1_fulltrue_msa,0.7937903846908188,,,s_482422f32efc21500360d70c,test
catpreddb_kcat_kcat_868c26f8356da2,catpred_iteration1_kcat,kcat,Q9A1H8,Q9A1H8,MSTLKIAPSILAADYANFASELARIEETDAEYVHIDIMDGQFVPNISFGADVVASMRKHSKLVFDCHLMVVDPERYVEAFAQAGADIMTIHTESTRHIHGALQKIKAAGMKAGVVINPGTPATALEPLLDLVDQVLIMTVNPGFGGQAFIPECLEKVATVAKWRDEKGLSFDIEVDGGVDNKTIRACYEAGANVFVAGSYLFKASDLVSQVQTLRTALNV,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,2.9395192526186187,-0.6989700043360187,,s_80ece044fa74b04200cdc4e2,test
catpreddb_kcat_kcat_869aa9a01ac4ac,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.3424226808222062,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_86a289efb9d737,catpred_iteration1_kcat,kcat,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O.O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O.O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O.O>>CC(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O.CO,public_strict_iteration1_fulltrue_msa,3.3201462861110542,,,s_2d84b510953f7377dca5997d,test
catpreddb_kcat_kcat_870ed4391a467e,catpred_iteration1_kcat,kcat,Q9L9F4,Q9L9F4,MLILGLNGNVSAAGADVVPNLNELYMHDAAATLVRDGVLVAAVEEERLNRIKKTTKFPSNAIRECLAAAGAKPADVDAIAYYFPEDFFDDIFQQLYTEHPSVPTRYSREMILERLRVDLGWAAPPDILHYVPHHLAHAMSTYYRSGMREALVVVMDGAGERNCTTIYRSDGAELFEIASYPVPKSLGMFYLYGTRHLGYGFGDEYKVMGLAPYGDPSTYRDVFSTLYSLGPNGTYELIPRGGVVFRMTTILREHGLQPRRRGEPFTQAHMDFAASVQETTEQIAMHVIGYWARSTGLRNLAFGGGVAHNSTLNGRILTSGLFDEVFVHPASHDAGSSEGAALVVARERGERVWPLPRLTNASLGPDLGDVDSLERTLKSWSPLVDVERPDDIVEATAHLLAAGEAIGWAHGRSEFGPRALGNRSILADARPKENQTRINAMVKKRESFRPFAPVVTAEAAGDYFDLPETVGHHDFMSFVVQVRADRRELLGAVTHVDGSARVQVVTEETNPRFHRLVTRFGELTGTPVLLNTSFNNHAEPIVQSVDDVLTSYLTTSLDVLVIEDFVVRRRTELPLALEDFTIGFRPVTRLVRRLADVSAGRPGAPEVSHEIYLDHTSGPRATISAAMYELLTHADGVTPLGSLGIELTGELLTELYDLWQGRFVTVAPVGDGAGSAP,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.N=C(O)OP(=O)(O)O,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.N=C(O)OP(=O)(O)O,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.N=C(O)OP(=O)(O)O>>CO[C@@H]1[C@@H](OC(=N)O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.6127838567197355,,,s_cf92563dbf75db8cc3f111e8,test
catpreddb_kcat_kcat_871800b0e7f108,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CC(C(=O)SCCNC(O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)O,CC(C(=O)SCCNC(O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)O,CC(C(=O)SCCNC(O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)O>>CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O,public_strict_iteration1_fulltrue_msa,0.4471580313422192,-2.0,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_8731160cce436a,catpred_iteration1_kcat,kcat,D7BAR0,D7BAR0,MSSLTPELRQSILEHLGFLYGERAPAVLGRLEEICSGFPAQRREGGWSEKDALLITYGDQIHAEGEPPLQTLYDFLYERLRGVFSGVHLLPFYPSTSDDGFSVVDFQRVDPELGTWTDIRIIAQDFRLMADLVCNHVSASSPWFQGFLQDDPQYQGFFITVDPGTDLSTVFRPRALPLLTPFQTPSGEKLVWTTFSPDQTDLNYANPEVLLEVIEALLCYVRNGAGLIRLDAVGFIWKEIGTSCMHLEGAHRIVKLMRLVLDAVAPHVLLVSETNAPHRENISYFGNGHDEAQLVYQFPLPPLVMHTFRTGDASKLAGWAAGLTLPSERTTFFNFLASHDGIGVVPAGGILQPEEIAALVRQALEHGGRVNHKDTPDGPVPYELCLTLFDALSNPNSDEAEDLKIARFLAANVILLSLQGIPGVYIHSLFGSPSDHAGFEESGIPRRLNRHKFTKAELEERLADPASRAAKILAAYSHLLRVRSMHPAFHPNAPQRILPSTEVLRIVRGEGDQAVGCYINVTDRPQVVSRIGKNLITGQWFTGVLKPYQAAWIID,O=C(O)[C@H](O)CO.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@H](O)CO.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@H](O)CO.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>O=C(O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.1072099696478683,,,s_0058539aac40e33eed965c7c,test
catpreddb_kcat_kcat_8762744426f958,catpred_iteration1_kcat,kcat,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2.O.[I-],C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2.O.[I-],C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2.O.[I-]>>,public_strict_iteration1_fulltrue_msa,2.3560258571931225,,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_kcat_kcat_87846746547864,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.318689269947746,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_87ab89164b486f,catpred_iteration1_kcat,kcat,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,N[C@H](CC(=O)O)C(=O)O.O.O=O,N[C@H](CC(=O)O)C(=O)O.O.O=O,N[C@H](CC(=O)O)C(=O)O.O.O=O>>N.O=C(O)CC(=O)C(=O)O.OO,public_strict_iteration1_fulltrue_msa,1.9169800473203824,,,s_74cdd8566f34570e4d30f31c,test
catpreddb_kcat_kcat_87b3f0beb9c771,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.3260580013659122,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_87bcff67aabe6e,catpred_iteration1_kcat,kcat,Q81WN7,Q81WN7,MIDFGTIATAMVTPFDINGNIDFAKTTKLVNYLIDNGTTAIVVGGTTGESPTLTSEEKVALYRHVVSVVDKRVPVIAGTGSNNTHASIDLTKKATEVGVDAVMLVAPYYNKPSQEGMYQHFKAIAESTPLPVMLYNVPGRSIVQISVDTVVRLSEIENIVAIKDAGGDVLTMTEIIEKTADDFAVYSGDDGLTLPAMAVGAKGIVSVASHVIGNEMQEMIAAFQAGEFKKAQKLHQLLVRVTDSLFMAPSPTPVKTALQMVGLDVGSVRLPLLPLTEEERVTLQSVMQSIPR,CC(=O)C(=O)O.N[C@@H](CC=O)C(=O)O,CC(=O)C(=O)O.N[C@@H](CC=O)C(=O)O,CC(=O)C(=O)O.N[C@@H](CC=O)C(=O)O>>O.O=C(O)C1=N[C@H](C(=O)O)C[C@H](O)C1,public_strict_iteration1_fulltrue_msa,1.963787827345556,,,s_62885fe6ef2b330e6b8415a4,test
catpreddb_kcat_kcat_87e95906263fed,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,2.963787827345555,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_883688ebe0b9e4,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@@H](O)[C@@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OCC1(O)OC[C@@H](O)[C@@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,0.0863598306747482,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_8877613e4a9fed,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_88a98190d9119e,catpred_iteration1_kcat,kcat,P00942,P00942,MARTFFVGGNFKLNGSKQSIKEIVERLNTASIPENVEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O>>O=C(CO)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,6.0,0.4559473179540815,,s_a2bb45b1deb9d8a8c56aa33e,test
catpreddb_kcat_kcat_88bf7b261b3a4d,catpred_iteration1_kcat,kcat,Q9ZN55,Q9ZN55,MKTSNTKTPKPVLIAGPCVIESLENLRSIAIKLQPLANNERLDFYFKASFDKANRTSLESYRGPGLEKGLEMLQTIKDEFGYKILTDVHESYQASVAAKVADILQIPAFLCRQTDLIVEVSQTNAIVNIKKGQFMNPKDMQYSVLKALKTRDSSIQSPTYETALKNGVWLCERGSSFGYGNLVVDMRSLKIMREFAPVIFDATHSVQMPGGANGKSSGDSSFPPILPRAAAAVGIDGLFAETHIDPKNALSDGANMLKPDELEHLVTDMLKIQNLF,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.O.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(O)C(=O)C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.4775557664936801,,,s_6c6a9128c0ab4434580051fd,test
catpreddb_kcat_kcat_88e4c4e63d6cbe,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=CCC(=O)O.O,C=CCC(=O)O.O,C=CCC(=O)O.O>>*CC(*)O.CC(=O)O,public_strict_iteration1_fulltrue_msa,2.6580113966571126,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_88f6ea66cf758d,catpred_iteration1_kcat,kcat,Q84QC1,Q84QC1,MAMWVFGYGSLIWKTGFPFDESLPGFIKGYRRVFHQGSTDHRGTPDFPGRTVTLEAAHEEVCCGVAYKITKEEDKRDALLHLEVREKQYDQKEYLDFFTDSNASEPAVAGVMVYIASPDKKSNNNYLGPAPLEDIAKQIVKAKGPSGPNRDYLFNLEEALAQLGFKDKHVTDLANQVRHILSESEELDIDATAATANNV,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O>>NC(CS)C(=O)NCC(=O)O.O=C1CCC(C(=O)O)N1,public_strict_iteration1_fulltrue_msa,2.61066016308988,0.6901960800285137,,s_2ab6b45f758ebec576e608c0,test
catpreddb_kcat_kcat_88fcb4a02dbc71,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.3424226808222062,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_892b189f53701f,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C(=O)O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,public_strict_iteration1_fulltrue_msa,-1.080921907623926,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_892ceb2740df14,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,OCCBr,OCCBr,OCCBr>>Br.C1CO1,public_strict_iteration1_fulltrue_msa,1.0934216851622351,-1.0,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_894b104acc37af,catpred_iteration1_kcat,kcat,A0A228BX09,A0A228BX09,MPPPPEVSPVTGNPVSPHYIHSSTLHFQDVNGRSLVLRGVNLSGSAKHPNNQPSHIREGFWETAEAGKGDFINKPLNLDDGSADLHLARLKAWGYNLLRYVFTWESLEHAGPKEYDYAYMDYIIAVLRKCKEWGFRVFMDPHQDVWSRFTGGSGAPLWTLYACGIDPYHLTATAAAYLHCEWPSAESPKPQDFPAMIWGTNYTHLANQTIWTFFFAGKTYAPKCIIDGKNIQDFLQDHFIDAVGELAKRIAEEAGDLLDECVIGWDSINEPGEGLIGCKDLAVIPAEQQLKKGPSPTPIEGMRLGMGEAQDVQAWNFGPMGPYRGSRQTIDPKGVKLWLSKEDDVKRGSGKWGWTRGKEWALGTCIWAHHGVWEIATSTLLRPDYFSTLPTNPGHQVDFVDDFWALHWLAYSSRIRLHHPESIHFIQAPVLRQPPKLPESFLKGRACSSPHFYDGLTLMTKHWNWFNADAIGVIRKKYWSIVQAVRIGEGPIRKMIQGELAVLKQDTIDILGNYPTLVGEIGIPYDMDDKKAYGYVDGGRGEGDYSSQQKAMDCSMNACDGPNCLNYAIWNYVPDNVHEWGDNWNGEDLSLWSVDDKEQESYHDSPRSDTPNFSTNSNSLTNSSATLTVPMSGASKLRPSPSVIDSGDFSPTLILDGSRAVAAFCRPYPVATVGIPERIDFDITSTKFKYAVRVRADDIANEQVYTEIYLPFVHYAASLNASRSAGHNPNLGQTTSTSADGDDSTVSSRQTSKVDLIEDERAIKSSDPSSVSIRSVPYSSFAQLSLDVTIVASHGRVEIQGQTLRWWYPVPGTGEEVYTIEVQRNGGALRRDLGYVQQGNFLDVCPECVIA,Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12.O,Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12.O,Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12.O>>Cc1cc(=O)oc2cc(O)ccc12.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.9444826721501688,,,s_d2a6244868eea8688e269a0b,test
catpreddb_kcat_kcat_895a26c60c0981,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,Cc1onc(-c2ccccc2Cl)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O,Cc1onc(-c2ccccc2Cl)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O,Cc1onc(-c2ccccc2Cl)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.954242509439325,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_897d4fe78eeead,catpred_iteration1_kcat,kcat,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CC=O)ccc1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CC=O)ccc1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CC=O)ccc1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,0.1367205671564068,,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_kcat_kcat_898f64021e46a6,catpred_iteration1_kcat,kcat,P76469,P76469,MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGERGVGASVARAARWGRIENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDTMLYSDALDQRLAMFKSGKNGPRIKGSY,CC(O)CC(=O)C(=O)O,CC(O)CC(=O)C(=O)O,CC(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,2.597695185925512,-1.0,,s_1eea168d88c64a23075eba19,test
catpreddb_kcat_kcat_89defb211585b6,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,N=C(N)NCCC[C@H](N=C(O)[C@H](CC1CCC(O)CC1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,N=C(N)NCCC[C@H](N=C(O)[C@H](CC1CCC(O)CC1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,N=C(N)NCCC[C@H](N=C(O)[C@H](CC1CCC(O)CC1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>N=C(N)NCCC[C@H](N=C(O)[C@H](CC1CCC(O)CC1)N=C(O)[C@H]1CCCN1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.6901960800285137,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_89e12827afbe35,catpred_iteration1_kcat,kcat,Q6WNR0,Q6WNR0,MGILSYLCYSLFYLSIFFIIRLLFQSRKFKNLPPGPTSLPIIGNLHHLKRPLNRTFKALTEKYGNVISLWFGSRLVVVVSSLSEFQECFTKNDVVLANRPRFLSGKYIFYNYTTLGSTSYGEHWRNLRRITSLDVLSNHRINNFAPIRRDETQRLIKKLAEDSSTKFAEVELTFRFFDMTFNNIMRMISGKRYYGDDCDISEVQEASQFRDMVSELLQLSGANNKTDFMPLLKFLDFENLEKRVKRIGEKNDVFLSGLLQEQRSKKERTNTMIDHLLNMQESQPEYYTDTIIKGLCLAMLLAGTDSSAVTLEWTMSNILNYPEVLKKVRDEVDTHVGQDRLVDESDLPKLTYLRNVIYETLRLYTPAPLLLPHSTADECIMGGYKVPRDTIVLINAWAIHRDPETWSEATTFKPERFDKKGELEKMIAFGMGRRACPGEGLALRAISMTLALLVQCFDWKRINDEKIDMSERDGFTMTKLLPLKAMCKTRPVVNKVFK,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1.O=O,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1.O=O,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1.O=O>>COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)c(O)c1.O,public_strict_iteration1_fulltrue_msa,-1.4814860601221125,,,s_bacc29394cd254b63d714887,test
catpreddb_kcat_kcat_89ff23339023ba,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(O)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)c1ccc([O-])cc1,public_strict_iteration1_fulltrue_msa,0.8260748027008264,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_8a11b6703843b6,catpred_iteration1_kcat,kcat,F0ZJZ1,F0ZJZ1,MYLLISLILLSFLNVSFSQKVGKFSPEVHPPITWQECADDGSCKTMNGEIVIDANWRWVHSEQGTNCYTGNTWNPTLCPDDKTCAENCYLDGANYESVYGITTEDDSVRLNFITQSQGKNIGSRTFLMANSTNYQMFYVLGQEFSFDVDVSNLDCGLNGALYLVSMDSDGGIARFPSNEAGAQYGTGYCDAQCPRDLKFISGSANVEGWIPSSNNPNTGYGNHGSCCAEMDLWEANNMATALTPHPCDTSSQTVCESDSCGGATSSNRYGGLCDPDGCDYNPYRMGNTTFFGPGQTVDTKSVMTVVTQFITNDGTTTGTLKSIKRLYVQNGQVISQSESTVPGVAGNEITEDFCHNQKQVFGDKDSFTKHGGLAAMGDALKNGMVLVLSLWDDYLADMLWLDSNYPTTSPVTEPGVARGPCSTSSGTPTDVESKYPNAYVVYSNIKVGPINSTFKNN,CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O,CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O,CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.2924298239020636,,,s_71711f43f934a429a37534d1,test
catpreddb_kcat_kcat_8a1604190ec226,catpred_iteration1_kcat,kcat,Q6U1I3,Q6U1I3,MEKPIFVTQPNLPPLEEFIPYLEIIWQNKQFTNNGPMHQKLEKKLCEFLGVEYISLFNNGTIALITAVQALGVKGEVITTPYSFVATAHSLVLNGLKPVFVDIDPKTLNIDPRRIEEAITPETQAIMPVHCYGNPCDTQAIADIAQKYNLKVIYDAAHAFGVEDDDGSVLRHGDLSVLSFHATKVFSTFEGGAIVCNSKEMKEKIDRLKNFGYIDETNINIIGSNGKMSEVNAAFGLLQLEHMDTFLRGRMNADMFYRQKLKDITGISIVIPSGQKISNFSYFPILVESDFPLSRDELFNYLKNQNIFARRYFYPVIPDFQAYLNVGEVCDVKNAREIASKVLCLPMHAELSSDILEYIVSTIREIK,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(=O)C(O)C3O)O2)c(=O)[nH]c1=O.NC(CCC(=O)O)C(=O)O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(=O)C(O)C3O)O2)c(=O)[nH]c1=O.NC(CCC(=O)O)C(=O)O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(=O)C(O)C3O)O2)c(=O)[nH]c1=O.NC(CCC(=O)O)C(=O)O>>Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(N)C(O)C3O)O2)c(=O)[nH]c1=O.O=C(O)CCC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.1307682802690238,,,s_2df2c3c518ba6b7ea0da618f,test
catpreddb_kcat_kcat_8a1bad13fa95c3,catpred_iteration1_kcat,kcat,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)CO.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)CO,public_strict_iteration1_fulltrue_msa,1.934498451243568,,,s_451a9f71732397357584e474,test
catpreddb_kcat_kcat_8a351890f8565f,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O.O,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O.O,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O.O>>CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O.CCC(C)C(N)C(=O)O,public_strict_iteration1_fulltrue_msa,0.8325089127062363,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_8ab3e32c282dd8,catpred_iteration1_kcat,kcat,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,0.1038037209559568,,,s_0ad9625fa36195c17c775d5c,test
catpreddb_kcat_kcat_8ac166f5f86c91,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1ccc(Cl)cc1,public_strict_iteration1_fulltrue_msa,-2.494850021680094,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_8b1a87322d2847,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H+],public_strict_iteration1_fulltrue_msa,1.8750612633917,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_8b350b7d72fc73,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC/C=C\CCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.769551078621726,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_8b7aa8af239597,catpred_iteration1_kcat,kcat,P11935,P11935,MTSKVPVFRLDDLKSGKVLTELAEAVTTKGIFYLTESGLVDDDHTSARETCVDFFKNGSEEEKRAVTLADRNARRGFSALEWESTAVVTETGKYSDYSTCYSMGIGGNLFPNRGFEDVWQDYFDRMYGAAKDVARAVLNSVGAPLAGEDIDDFVECDPLLRLRYFPEVPEDRVAEEEPLRMGPHYDLSTITLVHQTACANGFVSLQCEVDGEFVDLPTLPGAMVVFCGAVGTLATGGKVKAPKHRVKSPGRDQRVGSSRTSSVFFLRPKPDFSFNVQQSREWGFNVRIPSERTTFREWLGGNYVNMRRDKPAAAEAAVPAAAPVSTAAPIAT,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O=C(O)CCC(=O)C(=O)O.O=O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O=C(O)CCC(=O)C(=O)O.O=O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O=C(O)CCC(=O)C(=O)O.O=O>>O.O=C(O)CCC(=O)O.O=C=O,public_strict_iteration1_fulltrue_msa,-1.136677139879544,,,s_0d499f79c125a35e6add624c,test
catpreddb_kcat_kcat_8b7be684194829,catpred_iteration1_kcat,kcat,P53582,P53582,MAAVETRVCETDGCSSEAKLQCPTCIKLGIQGSYFCSQECFKGSWATHKLLHKKAKDEKAKREVSSWTVEGDINTDPWAGYRYTGKLRPHYPLMPTRPVPSYIQRPDYADHPLGMSESEQALKGTSQIKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARPHFMSQF,O,O,O>>CSCCC(N)C(=O)O.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,3.184691430817599,,,s_87fcc95bdef2ef3411c967e4,test
catpreddb_kcat_kcat_8b9b0b6f242b87,catpred_iteration1_kcat,kcat,Q79FV4,Q79FV4,MRSRQTRDRYRLLPEGYQVTPGRNRHPGTMVGNTPVLWIPELSGTSDPDRGFWAKLEGFNPGGMKDRPALYMVECARARGDIAPGAAIVESTGGTLGLGLALAGKVYRHPVTLVTDPGLEPIIARMLTAYGAGVDMVTQPHPVGGWQQARKDRVAQLMAEYPGAWNPNQYGNPDNVGAYRSLALELVAQLGRIDVLVCSVGTGGHSAGVARVLREFNPDMRLIGVDTIGSTIFGQPASNRLMRGLGSSIYPRNVDYRAFDEVHWVAPPEAVWACRSLAATHYASGGWSVGAVALVAGWAARNLPADTTIAAVFPDGPQRYFDTIYNDAYCNEHELLGGQPPTEPDEIASPLDAVVTRWTRSTTVIDPTQVVS,N[C@@H](COP(=O)(O)O)C(=O)O.S,N[C@@H](COP(=O)(O)O)C(=O)O.S,N[C@@H](COP(=O)(O)O)C(=O)O.S>>N[C@@H](CS)C(=O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.039529222465701,,,s_6290ac0913cc53eba61e3fff,test
catpreddb_kcat_kcat_8baa098e429385,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,N=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O,N=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O>>N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.9731278535996988,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_8be07065de03ef,catpred_iteration1_kcat,kcat,A0A0F8NI45,A0A0F8NI45,MKFDPEKIKKDAKENFDHAWNEGKKMVKMPTLNERYPRTTLRYGKAHPVYDTIQKLREAYMRMGFEEMMNPLIVDEKEVHKQFGSEALAVLDRCFYLAGLPRPNVGISDERIAQITEILGDIGEEGIDKIRKELHAYKKGKIEGDDLVPEISAALEVSDALVADMIDRVFPEFKELIPQASTKTLRSHMTSGWFISLGALLEREESPFHFFSIDRCFRREQQEDASRLMTYYSASCVIMDEDVTVDHGKAVSEGLLSQFGFEKFLFRPDEKRSKYYVPDTQTEVFAFHPKLVGSNSKYSDGWIEVATFGIYSPTALAEYDIPYPVMNLGLGVERLAMILHDAPDVRSLTYPQIPQYSEWEMSDSGLAKQVFVDRMPETPEGQEIASAVVAQCELHGEEPSPCEFPAWEGEVCGRKVKVSVIEPEENTKLCGPAAFNEVVAYQGDILGIPNNKKWQKAFENHSARAGIRFIEAFAAQAAREIEEAAMSGADEHIVRIRIVKVPSEVNLKIGATAQRYITGKNKKIDIRGPVFTSVKAEFE,C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.853871964321762,,,s_c4a2de1f6a1d2ebc4477e353,test
catpreddb_kcat_kcat_8bf8aed59e1cd9,catpred_iteration1_kcat,kcat,A0A0G2T690,A0A0G2T690,MVSSLPPIIAGAAIYRLVSSKTLPDLTSAFFELEIPDQISLLSLLFASVFSAVSISGFIAPPGHNDDDDEDEHKPPFQYPLKEIASKTTDKEKFLSVYPCLRDSIAEYFATKHEMVPEGVNWITEMIDYSCVGGKMNRGITVLTVARTLSGSSGLTPREEARASVVGWGIEFLQAFFLVADDLMDDSKTRRGQPCWYLLPKVGTIAVNDSFLLESFVFTFLKEHFGKEPYYIKLVELFLETIQQTECGQLLDLTSQPKDAKTADLSRFTIERYRKIVKYKTAFYSFYLPVASAMLMSGVTNSKSFKTARNICCIMGEYFQIQDDVLDCYGTPEVIGKVGTDIQDNKCSWLIVQALDRATPEQRKVIEENYGKWDDAKVAKIKAIYNEMGLKSVFEKYEEDSYAEIQEELKKINDIPQEVFTLFLDKIYKRSK,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.5250448070368452,,,s_e69bdfd6698e15450ce39b87,test
catpreddb_kcat_kcat_8c047dcae3aab3,catpred_iteration1_kcat,kcat,A0A4Y5R2N2,A0A4Y5R2N2,MANTEHVRLLGLWSSPFSRRVEWALKLKDVDYEYIEEDIFNKSSQLIELNPVHKAVPVFVHGEKVIAESFVILEYIDETWKQCPLMPQDPHERAMTRFWTKFAEEKMSAAWTATCSLGEEKEKAAKLTVDALEKIEGVLKGKRFFGGESIGYSDIAVGWMSYWLPIWEEVGSTKIVDPLQFPALTSWMRNFLEHPVIKENLPPRDKMIIYFQKRSIEFFPRPRG,CNC(NC#N)N(C)N=O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,CNC(NC#N)N(C)N=O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,CNC(NC#N)N(C)N=O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>CNC(NC)NC#N.N[C@@H](CCC(O)=N[C@@H](CSN=O)C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.2122408888015344,,,s_4ae5820f2be4a47c60a27118,test
catpreddb_kcat_kcat_8c2bea5a8a0942,catpred_iteration1_kcat,kcat,Q9UVQ5,Q9UVQ5,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSISTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,COc1ccccc1O.O=O,COc1ccccc1O.O=O,COc1ccccc1O.O=O>>O,public_strict_iteration1_fulltrue_msa,5.139879086401237,,,s_7be56673c21fd425bdc26c98,test
catpreddb_kcat_kcat_8c93f3d50b2c2d,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.8260748027008264,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_8cc0c4971800df,catpred_iteration1_kcat,kcat,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)O>>CSC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O.Nc1nc[nH]c2ncnc1-2,public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_8b157d74d30d5eae406928c9,test
catpreddb_kcat_kcat_8cebc9a38ac938,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O[C@@H]6CO[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O[C@@H]6CO[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O[C@@H]6CO[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>O[C@@H]1[C@@H](O)[C@H](O)OC[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.537602002101044,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_8d5956685fc0aa,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.O,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.O,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC.O>>CCOC(=O)CC(S)C(=O)OCC.CCOP(O)(=S)OCC,public_strict_iteration1_fulltrue_msa,0.7923916894982539,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_8d5fc745692f9a,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cccc(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)c1cccc(O)c1,public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_8d7f29091d1693,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O,CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O,CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O>>C#N.CC1(C)C(C(=O)O)C1(C)C.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.4166405073382809,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_8da8edc27bcbda,catpred_iteration1_kcat,kcat,P0AG18,P0AG18,MSSRNNPARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAHRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRGAA,Nc1c(C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O,Nc1c(C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O,Nc1c(C(=O)O)ncn1C1OC(COP(=O)(O)O)C(O)C1O>>O=C(O)Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.1931245983544616,-1.6536470255493614,,s_c1004897da4bd8e576950e7c,test
catpreddb_kcat_kcat_8dac55b5bb85d0,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(Cl)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(Cl)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(Cl)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=Nc1ccc(Cl)cc1,public_strict_iteration1_fulltrue_msa,-2.161150909262745,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_8db25497a2ab06,catpred_iteration1_kcat,kcat,P76641,P76641,MMSGEHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWENGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGAYGEQLLEWLNKHTFPTERRYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINMRMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFAPTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDVYHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFNLKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFYLATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVDKLFVMMTLGDDRSIYRTYVDGRLVYERN,N=c1nc(O)c2nc[nH]c2[nH]1.O,N=c1nc(O)c2nc[nH]c2[nH]1.O,N=c1nc(O)c2nc[nH]c2[nH]1.O>>N.Oc1nc(O)c2nc[nH]c2n1,public_strict_iteration1_fulltrue_msa,0.4471580313422192,,,s_6be357ed52bee5995478ed69,test
catpreddb_kcat_kcat_8dbb22d79512fe,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.744727494896694,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_8dbf7c8b4937bc,catpred_iteration1_kcat,kcat,H3ZMH5,H3ZMH5,MFADHVFHVVDTHTEGEPTRIVLSGVNVKGEDIIEKREYFKEHYDWIRTALLHEPRGHSDQFGAVLVPSDIADFGVIYMDTSGYLDMCGHATMGVATVLVELGIIEKKEPYTTVKLETPAGLVEAKAKVKGGVVKEVTVVDVPSFYVGEFVIEYPGRGKIKVDVAFGGNFYVIADARDLGLRVRREYIKELIPTALKLIKVANEQIKVQHPRKGVQNRINLAMLTDEPEREDSDGKNVVIWGEGSVDRSPCGTGSASRVATLYSKGILKEGDIFVHESILGTQFRIKIVGTTKIGEYTAIIPEITGSAYITKISQDIISKNDPLWKGFLLR,O=C(O)[C@H]1C[C@@H](O)CN1,O=C(O)[C@H]1C[C@@H](O)CN1,O=C(O)[C@H]1C[C@@H](O)CN1>>O=C(O)[C@@H]1C[C@@H](O)CN1,public_strict_iteration1_fulltrue_msa,0.5831987739686227,0.8228216453031046,,s_439f7553837807af96852cc3,test
catpreddb_kcat_kcat_8dcf2bd60c1745,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H],public_strict_iteration1_fulltrue_msa,1.7558748556724917,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_8dedbb2d77ca65,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.6635402661514705,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_8e525854ffc2c2,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(=O)C(C)(O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)(O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)(O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)(O)C(O)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.8195439355418687,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_8e5eadc700c95b,catpred_iteration1_kcat,kcat,P9WPH3,P9WPH3,MPDVDWNMLRGNATQAAAGAYVPYSRFAVGAAALVDDGRVVTGCNVENVSYGLTLCAECAVVCALHSTGGGRLLALACVDGHGSVLMPCGRCRQVLLEHGGSELLIDHPVRPRRLGDLLPDAFGLDDLPRERR,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1.O>>N.O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.6857417386022636,,,s_f1eb084b8a8d2f00d2fe360b,test
catpreddb_kcat_kcat_8ea42c3be8a8dd,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,2.326335860928752,-0.3665315444204134,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_8eb199cae95ed7,catpred_iteration1_kcat,kcat,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O,public_strict_iteration1_fulltrue_msa,2.214843848047698,,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_kcat_kcat_8ec8f6c0abd930,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O>>,public_strict_iteration1_fulltrue_msa,-1.3979400086720375,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_8ec9c2cb9f7d9e,catpred_iteration1_kcat,kcat,O54161,O54161,MHRGSLSRGHTSAVLAAVVAALAALAALLVATTPAQAAGSGALRGAGSNRCLDVLGGSQDDGALLQLYDCWGGTNQQWTSTDTGRLTVYGDKCLDVPGHATAPGTRVQIWSCSGGANQQWRVNSDGTVVGVESGLCLEAAGAGTANGTAVQLWTCNGGGNQKWTGLTGTPPTDGTCALPSTYRWSSTGVLAQPKSGWVALKDFTTVTHNGRHLVYGSTSSGSSYGSMVFSPFTNWSDMASAGQNAMNQAAVAPTLFYFAPKNIWVLAYQWGSWPFIYRTSSDPTDPNGWSAPQPLFTGSISGSDTGPIDQTLIADGQNMYLFFAGDNGKIYRASMPIGNFPGNFGSSYTTIMSDTKANLFEGVQVYKVQGQNQYLMIVEAMGANGRYFRSFTASSLSGSWTPQAASEGNPFAGKANSGATWTNDISHGDLVRDNPDQTMTVDPCNLQFLYQGKSPNAGGDYNSLPWRPGVLTLRR,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@@H]1OC(O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.6989700043360187,,,s_d831cc5434b44bf87e5617e8,test
catpreddb_kcat_kcat_8ed45205527cb2,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.7212463990471711,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_8ef62f2da92498,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.4471580313422192,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_8f07e9d35c83af,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)O)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)O)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)O)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(O)NCCCC(N)C(=O)O,public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_8f0a29a58f55e6,catpred_iteration1_kcat,kcat,A0A286XYM2,A0A286XYM2,MQRGGTGGVVAGLPETHSAQAWAGHLETVAAAVSEPVVGLSPFQPGGCILRRGGGWGRDQDWIRDGRGGSRGRWAGRGGSGCPRQCRAGPSRCLEPRGTRPCRASQRPVLPCRQPRVPAYLQPGVMEPVLVVHGGGASCISCERRQRVRQGVIRAASLGHGVLRAGGSAVDAVEAAVAALEDDAEFNAGHGSVLTENGDVEMDASIMDGRDLGAGAVSAVRCIANPIKLARLVMDKTPHCFLTGQGAAKFAADMGISEIPGEQLVTERNRKRLEKERQEKDASSPDCPKNLGTVGAVALDCKGNVAYATSTGGIVNKMTGRVGDSPCIGSGGYADNSIGAVSTTGHGESILKVNLARLALFHLEQGKTVDEAADLALGYMKSRLKGLGGLILVSRTGEWVAKWTSTSMPWAAVKGGKVHAGIDLNDTTVTDLC,N[C@@H](CC(O)=N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.O,N[C@@H](CC(O)=N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.O,N[C@@H](CC(O)=N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O.O>>N[C@@H](CC(=O)O)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.2966651902615311,,,s_13b67c475ddb87643f74c8f0,test
catpreddb_kcat_kcat_8f2650e6025222,catpred_iteration1_kcat,kcat,Q9FFW8,Q9FFW8,MASQLLLPPNQFTKSVSPQVFITGDCQGFSDLTLKRKSNQATRVSNGSSLRVKAALRSTHNKSVVEIPKQWYNLVADLSVKPPPPLHPKTFEPIKPEDLAHLFPNELIKQEATQERFIDIPEEVLEIYKLWRPTPLIRAKRLEKLLQTPARIYFKYEGGSPAGSHKPNTAVPQAYYNAKEGVKNVVTETGAGQWGSSLAFASSLFGLDCEVWQVANSYHTKPYRRLMMQTWGAKVHPSPSDLTEAGRRILESDPSSPGSLGIAISEAVEVAARNEDTKYCLGSVLNHVLLHQTIIGEECIQQMENFGETPDLIIGCTGGGSNFAGLSFPFIREKLKGKINPVIRAVEPSACPSLTKGVYAYDFGDTAGLTPLMKMHTLGHDFIPDPIHAGGLRYHGMAPLISHVYEQGFMEAISIPQIECFQGAIQFARTEGIIPAPEPTHAIAATIREALRCKETGEAKVILMAMCGHGHFDLTSYDKYLKGELVDLSFSEEKIRESLSKVPHVV,N[C@@H](CO)C(=O)O.c1ccc2[nH]ccc2c1,N[C@@H](CO)C(=O)O.c1ccc2[nH]ccc2c1,N[C@@H](CO)C(=O)O.c1ccc2[nH]ccc2c1>>N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O,public_strict_iteration1_fulltrue_msa,-1.8096683018297088,,,s_5db30c1dff94edd52723058e,test
catpreddb_kcat_kcat_8f33d0507816f6,catpred_iteration1_kcat,kcat,P35623,P35623,MAAPVNKAPRDADLWSLHEKMLAQPLKDNDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELEVLCQKRALQVYGLDPECWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPRLIIAGTSCYSRNLDYARLRKIADDNGAYLMADMAHISGLVAAGVVPSPFEHCHVVSTTTHKTLRGCRAGMIFYRKGVRSVDPKTGKETRYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTPEFRAYQRQVVANCRALAEALMGLGYRVVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDKSALRPSGLRLGTPALTSRGLLEEDFRKVAHFIHRGIELTLQIQDAVGVKATLKEFMEKLAGAEEHQRAVTALRAEVESFATLFPLPGLPGF,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O,public_strict_iteration1_fulltrue_msa,0.6334684555795865,,,s_07399be96e3bf35be969a896,test
catpreddb_kcat_kcat_8f3ff0f1c7f6e3,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,3.0060379549973173,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_8f4ad993b625f3,catpred_iteration1_kcat,kcat,Q3HW12,Q3HW12,IESQVATVWINRAELHNAFNTQVIEELNHCFTTLNANDDVRVVVLASRGKSFSAGADLNWMKQAGQASKVENEEDALKLAKMLQSLATLKQPTIARVHGIAFGGGMGLASACDICVASTDAKFATSEVRLGLAPSTISPYVIRAIGARQASRYFLTAERISAEQAKHIGLVHEVCQPEQLDATVLEIIDAILLGGPEAQAASKSLIRLVDHQEVTEDLLIQTAQHIAHVRQGDEAKNGLTAFLNKQSPAWIQAEQ,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@@H](O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@@H](O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@@H](O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,1.1139433523068367,-1.3010299956639813,,s_bf45c254801263e51a6f4c04,test
catpreddb_kcat_kcat_8f5d3ec539d9a2,catpred_iteration1_kcat,kcat,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.6020599913279624,,,s_b3f55c0dc962540433caeabb,test
catpreddb_kcat_kcat_8f66624d2361d5,catpred_iteration1_kcat,kcat,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1ncnc2c1ncn2C1CC(O)C(CO)O1>>Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O.Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,0.2148438480476978,,,s_006f723d5d8d505a1b6694d0,test
catpreddb_kcat_kcat_8fb68158a366da,catpred_iteration1_kcat,kcat,A3DEX4,A3DEX4,MPKKLKKIIKLCSMVFVIGILTLLLPEKGAADYPIFSQRFTADPAAVVYNGRLYIYCSHDSDATPGQSTYNIPDITCISTDDLKNWTDHGEVFNAKRDSRWASVSWAPSIVYRNNKFYLYYGNGGNGIGVAVSDSPTGPFKDPLPGPLVSWNTPGVQPAQNMWLFDPGVFVDDDGQAYMYFGGNGQNNIRVIKLGNDMISTVGSAMTMSAPRFFEAAYMHKYNGKYYFSYASDFSQGASKIEYMMSDKPTTGFQYKGVILPQPPDNYSNNNHHAIVEYKGNWYVVYHNRTVAKQRGLDPVYQRNVCIDQMFYNADGTIKQVVPTVDGLKQLKYVDPYTKNLAVTMHKESGIETEECSEGGRNVAFIENGDWIQVKGVDFGNVGPTSFEARVASATNGGNIEIRLDSPTGTLIGTCKVEGTGDWQKWVTKTCSVSKVTGVHDLFFRFTGGSGYLFNFSWWKFNSDATPTPTPPPQPSTVPVTERSAFSKIEVEDFNDIKSSTIQKIGTPNGGSGIGYIENGDWLAYKNIDFGNGATTFKALVASTLSPNIELRLDSPTGTLIGTLKVAATGGFNAYEEQSCNISKVTGKHDLYLVFSGAVNIDWFTFGGSSGIIKRGDTNSDGKINSTDVTALKRHLLRVTQLTGDNLANADVNGDGNVNSTDLLLLKRYILGEIENFPI,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O,public_strict_iteration1_fulltrue_msa,0.5477747053878226,,,s_55fc837940c28ac01a3c5307,test
catpreddb_kcat_kcat_8fdcab34f34b2b,catpred_iteration1_kcat,kcat,P20582,P20582,MGNPILAGLGFSLPKRQVSNHDLVGRINTSDEFIVERTGVRTRYHVEPEQAVSALMVPAARQAIEAAGLLPEDIDLLLVNTLSPDHHDPSQACLIQPLLGLRHIPVLDIRAQCSGLLYGLQMARGQILAGLARHVLVVCGEVLSKRMDCSDRGRNLSILLGDGAGAVVVSAGESLEDGLLDLRLGADGNYFDLLMTAAPGSASPTFLDENVLREGGGEFLMRGRPMFEHASQTLVRIAGEMLAAHELTLDDIDHVICHQPNLRILDAVQEQLGIPQHKFAVTVDRLGNMASASTPVTLAMFWPDIQPGQRVLVLTYGSGATWGAALYRKPEEVNRPC,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)c1ccccc1N.O=C=O,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_6a1c104bccddecf5e299e61e,test
catpreddb_kcat_kcat_8fe76e3dad2004,catpred_iteration1_kcat,kcat,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CCCC=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCCC=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,CCCC=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>CCCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,3.03342375548695,,,s_5f171a39f788d95d16fb2f10,test
catpreddb_kcat_kcat_8ff40b274502d9,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.3979400086720376,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_9005499399b2f7,catpred_iteration1_kcat,kcat,B0VH76,B0VH76,MAEKLKLARSMSLFEEAKQLVPGGVAGIRRPYNFVPGEYPIFFDHGKGGRVVDVDGNEYIDFLCAYGPIIIGYREDEIDDAVINQIKNKGFCFSLTQEMQNTLVKKLRELIPCCEMAALVKTGSDATTIAIRVARGYTGKTKIARYGYHGWHDWCVEVKGGIPPKLYEDIYEFHYNDLDSLKAILEANKDDMAGIIITPIGHPNGAEVQMPKPGYLEAVRELANQYHCLLIFDEIRSGFRCSLGGAQKLFGVTPDLSTFGKAMANGYAIAALVGKEEYMQVLADKVFLSSTFFPNSDGIVAAIKTIEILERDRILDVVAAKGRKFGAEVEKVVEESGVPVNFTGAPWMPYITFKKDEAGLYKKLRTEYYTQLIRHNVFMQPYHHGYICYRHTDEDLAYTVEAIRESLAEVKKML,CC(O)=NCCSC(=O)CC(N)c1ccccc1.O=C(O)CCC(=O)C(=O)O,CC(O)=NCCSC(=O)CC(N)c1ccccc1.O=C(O)CCC(=O)C(=O)O,CC(O)=NCCSC(=O)CC(N)c1ccccc1.O=C(O)CCC(=O)C(=O)O>>CC(O)=NCCSC(=O)CC(=O)c1ccccc1.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_cb5f03968ec2a3ea41ee648c,test
catpreddb_kcat_kcat_9005f54635d734,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12>>,public_strict_iteration1_fulltrue_msa,3.403120521175818,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_90229a2ec0f8a4,catpred_iteration1_kcat,kcat,Q8X270,Q8X270,MWPSAKFIDGRVAFSRMPAERELDEVARDFDAVVVLVEDYELPYSLDEWEKRGVEVLHGPIPDFTAPSVEQLLEILRWIEERVREGKKVLIHCMGGLGRSGTVGVAWLMYSRGLSLREALMEVRRKRPGAVETQEQMEVLKELEERI,Cc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12.O,Cc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12.O,Cc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12.O>>Cc1cc(=O)oc2c(F)c(O)c(F)cc12.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.4771212547196624,,,s_1e8de87a5d959aa995e9ecfe,test
catpreddb_kcat_kcat_902b8c636ffb94,catpred_iteration1_kcat,kcat,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)C(O)O[C@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.5538830266438743,,,s_85471f35fb7860385479be86,test
catpreddb_kcat_kcat_903273ca2a1ffc,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,CSC[C@H](N)C(=O)O.O,CSC[C@H](N)C(=O)O.O,CSC[C@H](N)C(=O)O.O>>CC(=O)C(=O)O.CS.N,public_strict_iteration1_fulltrue_msa,1.3010299956639813,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_90416208ae3798,catpred_iteration1_kcat,kcat,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,COC(=O)CCC(=O)C(N)=O.O,COC(=O)CCC(=O)C(N)=O.O,COC(=O)CCC(=O)C(N)=O.O>>COC(=O)CCC(=O)C(=O)O.N,public_strict_iteration1_fulltrue_msa,2.128722284338427,,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_kcat_kcat_906889cf30dee1,catpred_iteration1_kcat,kcat,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,2.5185139398778875,,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_kcat_kcat_907e8fdad1bc85,catpred_iteration1_kcat,kcat,I0DFJ0,I0DFJ0,MSENLQLSAEEMRQLGYQAVDLIIDHMNHLKSKPVSETIDSDILRNKLTESIPENGSDPKELLHFLNRNVFNQITHVDHPHFLAFVPGPNNYVGVVADFLASGFNVFPTAWIAGAGAEQIELTTINWLKSMLGFPDSAEGLFVSGGSMANLTALTVARQAKLNNDIENAVVYFSDQTHFSVDRALKVLGFKHHQICRIETDEHLRISVSALKKQIKEDRTKGKKPFCVIANAGTTNCGAVDSLNELADLCNDEDVWLHADGSYGAPAILSEKGSAMLQGIHRADSLTLDPHKWLFQPYDVGCVLIRNSQYLSKTFRMMPEYIKDSETNVEGEINFGECGIELSRRFRALKVWLSFKVFGVAAFRQAIDHGIMLAEQVEAFLGKAKDWEVVTPAQLGIVTFRYIPSELASTDTINEINKKLVKEITHRGFAMLSTTELKEKVVIRLCSINPRTTTEEMLQIMMKIKALAEEVSISYPCVAE,O=C=O,O=C=O,O=C=O>>NCCc1c[nH]c2ccccc12.O=C=O,public_strict_iteration1_fulltrue_msa,0.8260748027008264,,,s_bd6fd032a410f5a74b4b4df3,test
catpreddb_kcat_kcat_908d44191f7f2f,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CCCCCOC(O)=Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F.O,CCCCCOC(O)=Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F.O,CCCCCOC(O)=Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F.O>>,public_strict_iteration1_fulltrue_msa,-1.7958800173440752,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_90982214c700a4,catpred_iteration1_kcat,kcat,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.720159303405957,,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_kcat_kcat_90a21d96e77a16,catpred_iteration1_kcat,kcat,P07798,P07798,MVSQVRQNYHSDCEAAVNRMLNLELYASYTYSSMYAFFDRDDVALHNVAEFFKEHSHEEREHAEKFMKYQNKRGGRVVLQDIKKPERDEWGNTLEAMQAALQLEKTVNQALLDLHKLATDKVDPHLCDFLESEYLEEQVKDIKRIGDFITNLKRLGLPENGMGEYLFDKHSVKESS,O=O.[Fe+2].[H],O=O.[Fe+2].[H],O=O.[Fe+2].[H]>>O.[Fe+3],public_strict_iteration1_fulltrue_msa,3.406199423663313,,,s_aba8bdb15df413a470f7e367,test
catpreddb_kcat_kcat_90d7a036733360,catpred_iteration1_kcat,kcat,K7SW59,K7SW59,MYKDEKPRIGFLGIMQELYDDMLPGITERQEMYAQQVIDRLGDIADFYFPGAAKNRNDIERIVKEFNDKDLDGIMIVMLTYGPATNLVNALRNNRLPIMLANIQPESTVTDDWDMGDLTYNQGVHGAQDTSNIILRMGITCPIITEDWHSEEFKDFVNDWAKTVKTVKALRNMKIAQFGRMHGMYDIMGDDAAFTRKIGPQINQEYIGQVFRYMEEATNEEIDKVIEENKKNFYIDPKLSEESHRYAARLQIGFKKLLVDKGYAGFSAHFDVFKGDGRFKQIHMMAASNLMAEGYGYAAEGDVVTASLVAAGHVLVGDAHFTEMYAMDFKKDSILMSHMGEGNWKIARKDRPIKLVDRELGIGKLDNPPTVVFMAQPGVATLASLVSLEGERYRLVVSKGEILDTEEAKNIEMPYFHFKPENGVRACLNGWLKNGGTHHQCLTLGDTTMRWKLLCELLDIEYVEV,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.6901960800285137,2.0863598306747484,,s_008b1492249e4b46ed26ced4,test
catpreddb_kcat_kcat_90ea2e8aae432c,catpred_iteration1_kcat,kcat,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_6054a43023a3df240062cbaf,test
catpreddb_kcat_kcat_911ff3799a126c,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCCC=CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCCCCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.9469215565165804,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_91410f3e61f3f3,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCC(O)CC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCC(O)CC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCC(O)CC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CCCC[C@@H](N)C(O)=N[C@@H](CC1CCC(O)CC1)C(O)=N[C@@H](CCCCN)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.8388490907372553,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_915230434c4292,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)CC(=O)C(=O)[O-].CC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)[O-].CC[C@H](N)C(=O)O,CC(C)CC(=O)C(=O)[O-].CC[C@H](N)C(=O)O>>CC(C)C[C@H](N)C(=O)O.CCC(=O)C(=O)[O-],public_strict_iteration1_fulltrue_msa,1.3979400086720375,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_915a82d520c177,catpred_iteration1_kcat,kcat,G0R7E2,G0R7E2,MDTSKLKPNDPRVKYETKQIRGKTYSYILGEPQGPKLETVVLVHGWPDMAFGWRHQIPYLMSLGFQVVAPNMLGYAGTDAPRDLSQFTLKSVSADIAELARSFVGQDGQIVLGGHDWGGAVVWRTAYYHPELVKAVFSVCTPLHPLSAEYKPLEDIVAAGHMLNFKYQLQLKGPDVEARIQGKDMLRRFFRAMFGGRGPNGEAGFSTSDGVHFDVLDKIGAPPLLDEQELEYYVEQYALQEAPELRGPLNWYRTRELNAKDEMDRAKNGPPLRFEMPALFVAASKDNALPPAMSKGMDAFYKDLTRAEVDATHWALTQAGDEVNRVIGEWLNKALNGATKAAL,O.c1ccc([C@@H]2CO2)cc1,O.c1ccc([C@@H]2CO2)cc1,O.c1ccc([C@@H]2CO2)cc1>>OCC(O)c1ccccc1,public_strict_iteration1_fulltrue_msa,2.526339277389844,,,s_1ddb69fcb42811b1fde61373,test
catpreddb_kcat_kcat_915ac55d229776,catpred_iteration1_kcat,kcat,Q65CC7,Q65CC7,MHLLVRALVEEMAGRGVPHRVLTMSPPKVPKDIRIGQRIKVHARRLPVLPIPSDLEGYFGLVGAWAKGSLLWVLRNRKRLRREIGARVHAHCDGSGAAAFYPYLMSRILGVPLVVQIHSSRYLSQHPTTLFERVTDPIAKWAERHAVRKAAAVLMLTDRARDEMRRKAQLPAERVHRLAYLASDQFKDADTEARRAELRERYGLDDRPIVLYVGRIAAEKGVEYYIEAAAELTRRGRDCQFVIAGDGPARPDLEKLIGARGLRDRVTITGFMSHEFIPSMISLGELVVLPSRYEELGIVILECMTMRRPLVAHDVNGVNKLIEDGTTGIVVPPFRTPEMADAVERLLDDPELRERMAENAAPLPAAKYSLSAAGDQLAGIYREIGL,N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.275724130399211,,,s_6ee1d2392fde898fa85f518c,test
catpreddb_kcat_kcat_91779ee14ef917,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.510545010206612,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_91a2466fd33704,catpred_iteration1_kcat,kcat,O02611,O02611,MSARKFVVGGNWKCNGTLASIETLTKGVAASVDAELAKKVEVIVGVPFIYIPKVQQILAGEANGANILVSAENAWTKSGAYTGEVHVGMLVDCQVPYVILGHSERRQIFHESNEQVAEKVKVAIDAGLKVIACIGETEAQRIANQTEEVVAAQLKAINNAISKEAWKNIILAYEPVWAIGTGKTATPDQAQEVHQYIRKWMTENISKEVAEATRIQYGGSVNPANCNELAKKADIDGFLVGGASLDAAKFKTIINSVSEKF,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O>>O=CC(O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,2.4668676203541096,0.0044286815903023,,s_8f35bb516ccf1488f4b790d4,test
catpreddb_kcat_kcat_920fccc52e8d5d,catpred_iteration1_kcat,kcat,P9WGR1,P9WGR1,MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL,CCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.921686475483602,,,s_d9241b63fbac3c7e22a88593,test
catpreddb_kcat_kcat_921d8181f5ad2f,catpred_iteration1_kcat,kcat,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,COc1cc(/C=C/C(=O)OC2C(O)OC(CO)C(O)C2O)ccc1O.O,COc1cc(/C=C/C(=O)OC2C(O)OC(CO)C(O)C2O)ccc1O.O,COc1cc(/C=C/C(=O)OC2C(O)OC(CO)C(O)C2O)ccc1O.O>>COc1cc(C=CC(=O)O)ccc1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.9208187539523752,,,s_48e9b1367836a0093d7ae75d,test
catpreddb_kcat_kcat_923ca1039c8ea4,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.568201724066995,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_924605b60e9091,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.6334684555795865,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_928fec627f3260,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(O)c(C(=O)O)c1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(O)c(C(=O)O)c1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(O)c(C(=O)O)c1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=Nc1ccc(O)c(C(=O)O)c1,public_strict_iteration1_fulltrue_msa,-1.3565473235138126,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_92aac4fc3fa7dd,catpred_iteration1_kcat,kcat,P34736,P34736,MSSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAAVATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLGDYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRLSALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGNETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKADIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSVLPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEGVAERAAKTVAFYKGKDVVSPLRSAF,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O>>O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.4570033404038834,,,s_a8398d2297f36238cd95c90d,test
catpreddb_kcat_kcat_92c38ac3444b33,catpred_iteration1_kcat,kcat,Q5JRX3,Q5JRX3,MWRCGGRQGLCVLRRLSGGHAHHRAWRWNSNRACERALQYKLGDKIHGFTVNQVTSVPELFLTAVKLTHDDTGARYLHLAREDTNNLFSVQFRTTPMDSTGVPHILEHTVLCGSQKYPCRDPFFKMLNRSLSTFMNAFTASDYTLYPFSTQNPKDFQNLLSVYLDATFFPCLRELDFWQEGWRLEHENPSDPQTPLVFKGVVFNEMKGAFTDNERIFSQHLQNRLLPDHTYSVVSGGDPLCIPELTWEQLKQFHATHYHPSNARFFTYGNFPLEQHLKQIHEEALSKFQKIEPSTVVPAQTPWDKPREFQITCGPDSFATDPSKQTTISVSFLLPDITDTFEAFTLSLLSSLLTSGPNSPFYKALIESGLGTDFSPDVGYNGYTREAYFSVGLQGIAEKDIETVRSLIDRTIDEVVEKGFEDDRIEALLHKIEIQMKHQSTSFGLMLTSYIASCWNHDGDPVELLKLGNQLAKFRQCLQENPKFLQEKVKQYFKNNQHKLYEKGLELRSQQSKPQDASCLPALKVSDIEPTIPVTELDVVLTAGDIPVQYCAQPTNGMVYFRAFSSLNTLPEELRPYVPLFCSVLTKLGCGLLDYREQAQQIELKTGGMSASPHVLPDDSHMDTYEQGVLFSSLCLDRNLPDMMQLWSEIFNNPCFEEEEHFKVLVKMTAQELANGIPDSGHLYASIRAGRTLTPAGDLQETFSGMDQVRLMKRIAEMTDIKPILRKLPRIKKHLLNGDNMRCSVNATPQQMPQTEKAVEDFLRSIGRSKKERRPVRPHTVEKPVPSSSGGDAHVPHGSQVIRKLVMEPTFKPWQMKTHFLMPFPVNYVGECIRTVPYTDPDHASLKILARLMTAKFLHTEIREKGGAYGGGAKLSHNGIFTLYSYRDPNTIETLQSFGKAVDWAKSGKFTQQDIDEAKLSVFSTVDAPVAPSDKGMDHFLYGLSDEMKQAHREQLFAVSHDKLLAVSDRYLGTGKSTHGLAILGPENPKIAKDPSWIIQ,COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1.O,COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1.O,COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1.O>>COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@@H](Cc3ccccc3)C(=O)O)cc(=O)oc2c1.C[C@H](N=C(O)[C@@H](N)CO)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O,public_strict_iteration1_fulltrue_msa,0.8129133566428556,,,s_5f2a570f769667ffa4881e4c,test
catpreddb_kcat_kcat_92de9e3d2f8095,catpred_iteration1_kcat,kcat,P05081,P05081,MSTEKLKHHKIIFVVGGPGSGKGTQCEKIVHKYGYTHLSTGDLLRAEVSSGSERGKKLQAIMEKGELVPLDTVLDMLRDAMLAKADTSKGFLIDGYPREVKQGEEFEKKIAPPTLLLYVDAGKETMVKRLLKRGETSGRVDDNEETIKKRLETYYKATEPVIAFYKGRGIVRQLNAEGTVDEVFQQVCSYLDKL,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.9395192526186185,,,s_1b1b94efc772c15ef15d3f0e,test
catpreddb_kcat_kcat_9310a94e3299ae,catpred_iteration1_kcat,kcat,Q73PV9,Q73PV9,MRPLVIILMGSSSDMGHAEKIASELKTFGIEYAIRIGSAHKTAEHVVSMLKEYEALDRPKLYITIAGRSNALSGFVDGFVKGATIACPPPSDSFAGADIYSSLRMPSGISPALVLEPKNAALLAARIFSLYDKEIADSVKSYMESNAQKIIEDDSKLKR,Nc1cncn1C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C=O,Nc1cncn1C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C=O,Nc1cncn1C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C=O>>Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.8864907251724816,,,s_f1a464098ccf15d171c62caa,test
catpreddb_kcat_kcat_932aa57bada14f,catpred_iteration1_kcat,kcat,S0APF4,S0APF4,MSLKSDFTIDVIDTHTEGEPTRIMFWNNIPKNLRDALSVRKYFIDHYDYIRKILLLEPRGHKDQFGAILLPPVNPDSDYTVIYPTTESYLDMCGHATIGVSTALVALGYVPFEGNEKTLVYDTVAGTVKAMVKIENGEPVSVSIVDVKSYFVKKIKVNVNGKNVDVNISYGGNFYAIVNSKDLGVDVEPEYIDDLLAYGKIIREKAYETLKELYPENRKNLEPLAMITDNNHDYRAIVTFAGNSFDRSPCGTGTAARAAFLVHEGKLKLDGSYVNESILRTKFECRIISWEKVNDTIAIIPEITGRAWVTQLCKIIVDPSDPLKHGFLVQ,O=C(O)[C@@H]1CCCN1,O=C(O)[C@@H]1CCCN1,O=C(O)[C@@H]1CCCN1>>O=C(O)[C@H]1CCCN1,public_strict_iteration1_fulltrue_msa,-0.2218487496163563,1.499687082618404,,s_4b61fa4180484f6128f2d723,test
catpreddb_kcat_kcat_9331b0c133ebbe,catpred_iteration1_kcat,kcat,Q9JN69,Q9JN69,MDVRTLAVGKAHLEALLATRKMTLEHLQDVRHDATQVYFDGLEHLQNVAQYLAIPLSEFFVGQTQSDLDDGVKIARRNGGFKREEIRGGVHYYTYEHLVTTNQDPGLMALRLDLHSDDEQPLRLNGGHGSREIVYVTRGAVRVRWVGDNDELKEDVLNEGDSIFILPNVPHSFTNHVGGAKSEIIAINYG,C[C@H](O)CP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O,C[C@H](O)CP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O,C[C@H](O)CP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>C[C@@H]1O[C@@H]1P(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,-2.552841968657781,,,s_27756eae8f8b8ec3c16596c0,test
catpreddb_kcat_kcat_934dd89181c711,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.7958800173440752,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_9363521955fc6d,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.0644579892269184,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_9367b6348b810d,catpred_iteration1_kcat,kcat,A0A1V3Y1D0,A0A1V3Y1D0,MNFLKIALSNKLKNNDFNSWQTTNLNNNPQASELAAIVLAEGDQNSLKTAQDLQKTSGLGIPIIKVSHETISNNEKEKIIDAANKYTKKMVPGFLTDLVNFAEDHPVSFTTPGHHNGLYYEKHPAGVVFNRFFGKNLMFADTSDTVPELGDTMTHEGTPLTAEQKAAETYHADKVYFCTNGTTSANSICASALLTKDDLVLFDRNNHKSLYNSALVMSGAKPVYIPTDRNALGLIGEMDPNFLSEEKIRAEVAKVDPEKAKAKRPFRLAIIQSETYDGLFYDAKWMIDKIGKLCDYILFDCAWGGFEQFVPIMNHLSPLNLDFGPDDPGILVTQSLHKQQAGMGQASQILKKDAHIKGQKRYVDHKHFNHAYLKFVTSSYSYPLYASLTVNSYLTSGEGNKKWWDKILRLGIEWRKELIRKSKLFSPLVIDNFENISTDDLATNEKYWNLEPNNLWHGFSKIATGQAMIDPLKITVVTPGIDVKNAKYEAVGIPGPVVAEFLMEKRIIRAKDDLYSLLFLLTPGDTKAELDTLLNAFLEFEQYYNEDAPLEKVLPKLTKVYGDRYKGYTLKQLCQEMHNYYRGNKTFTLQQELFAKPNMQNYPMTPEHADYLFMKNESELVNLDDVKGRIAAEGALPYPPGVFIVAPGEKWSDIDQKYFEVLVGAIERFPGFVPEIQGVYWDQKADGKIRVQAEVLKEN,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O>>NCCCCN.O=C=O,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,0.8573324964312685,,s_f2c99b721d4933849c22a8de,test
catpreddb_kcat_kcat_93744e9a925e89,catpred_iteration1_kcat,kcat,P00909,P00909,MMQTVLAKIVADKAIWVEARKQQQPLASFQNEVQPSTRHFYDALQGARTAFILECKKASPSKGVIRDDFDPARIAAIYKHYASAISVLTDEKYFQGSFNFLPIVSQIAPQPILCKDFIIDPYQIYLARYYQADACLLMLSVLDDDQYRQLAAVAHSLEMGVLTEVSNEEEQERAIALGAKVVGINNRDLRDLSIDLNRTRELAPKLGHNVTVISESGINTYAQVRELSHFANGFLIGSALMAHDDLHAAVRRVLLGENKVCGLTRGQDAKAAYDAGAIYGGLIFVATSPRCVNVEQAQEVMAAAPLQYVGVFRNHDIADVVDKAKVLSLAAVQLHGNEEQLYIDTLREALPAHVAIWKALSVGETLPAREFQHVDKYVLDNGQGGSGQRFDWSLLNGQSLGNVLLAGGLGADNCVEAAQTGCAGLDFNSAVESQPGIKDARLLASVFQTLRAY,O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>O.O=C=O.O=C=O,public_strict_iteration1_fulltrue_msa,0.9684829485539352,-3.096469826200153,,s_a0443e96d9e4599d626ac4e5,test
catpreddb_kcat_kcat_93a04f8ce46049,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1.O>>,public_strict_iteration1_fulltrue_msa,-0.8239087409443188,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_93cbf731aa8fbd,catpred_iteration1_kcat,kcat,Q47Q21,Q47Q21,MTGRAFAIPLRTRFRGITVREGMLVRGAAGWGEFSPFAEYGPRECARWWAACYEAAELGWPAPVRDTVPVNATVPAVGPEEAARIVASSGCTTAKVKVAERGQSEANDVARVEAVRDALGPRGRVRIDVNGAWDVDTAVRMIRLLDRFELEYVEQPCATVDELAEVRRRVSVPIAADESIRRAEDPLRVRDAEAADVVVLKVQPLGGVRAALRLAEECGLPVVVSSAVETSVGLAAGVALAAALPELPYACGLATLRLLHADVCDDPLLPVHGVLPVRRVDVSEQRLAEVEIDPAAWQARLAAARAAWEQVEREPGP,O=C(O)CCC(=O)C1=CC=C[C@@H](O)[C@@H]1C(=O)O,O=C(O)CCC(=O)C1=CC=C[C@@H](O)[C@@H]1C(=O)O,O=C(O)CCC(=O)C1=CC=C[C@@H](O)[C@@H]1C(=O)O>>O.O=C(O)CCC(=O)c1ccccc1C(=O)O,public_strict_iteration1_fulltrue_msa,2.0863598306747484,-0.7399286120149252,,s_c2302fa647a2fef121afa464,test
catpreddb_kcat_kcat_93d23d5ecbad28,catpred_iteration1_kcat,kcat,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.0,,,s_140aab011c2ec3f979562c0c,test
catpreddb_kcat_kcat_93e8bb85ddfb96,catpred_iteration1_kcat,kcat,Q93Y52,Q93Y52,MALAIRSSLRAAAMGRKAFRQAVPVRVAPAQRVRSVTTASAEITAYSVEEKGPKDSLEYRMFFKQGAKEVSCWHEIPLYAGDGHLHYICEIPKETSAKMEVATDEPRTPIKQDVKKGKLRFYPYNINWNYGMLPQTWEDPGHTDATLGAAGDNDPVDVVEIGAAAAKRGGVYKVKPVGVLAMIDDGELDWKVIAISADDPKAALCNDVEDVEKHFPGEIQKVLEWFRDYKIPDGKPANKFGYDNKCMNKEFTLNVIKETHEAYVKLKSGARANSEELSLI,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.497758718287268,,,s_faf2b5bd6247f64d1fe7da39,test
catpreddb_kcat_kcat_93f3637a04cdc8,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.815308569182401,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_93f39b8342de00,catpred_iteration1_kcat,kcat,A0A076U8J8,A0A076U8J8,MAPPAVAEFPNDTKPVVAASVMKLANELTVLPEKFVKAVGERPVTAHNDYCKEIPVISLKGIDNESERARIVAEVGRACADWGIFQIVDHGMSAVLMKRTMETVLEFFKLPVEEKLKCAAKPGDFPVGYASGSHRASDDVLDWREFMAHRSLPKAIRENDISTWPDKPEHYRKTLVEYCDACDGLVTALLGLISESLGLPTNYIKNFVGGDDADQKMILNYYPQCPMPDLTLGLRSHTDYGTITVLQQDQVGGLQVYNADRRKWVTVEPIPGALVVNLADQLQILSNNKYCSVMHQAIVNSNHTRLSIATLSNPNAMSQMGPAPELLSAENPAKYRTYKFKEYLPICIAKKATNHCDAVAL,O=C(O)CCC(=O)C(=O)O.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.O=O,O=C(O)CCC(=O)C(=O)O.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.O=O,O=C(O)CCC(=O)C(=O)O.O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21.O=O>>O.O=C(O)CCC(=O)O.O=C=O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,public_strict_iteration1_fulltrue_msa,-1.5686362358410126,,,s_f971928a53d1775ad3eac7ac,test
catpreddb_kcat_kcat_94256966816d45,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC1OC(O)C(O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCC1OC(O)C(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(O)C(O)C(O)C(O)CO.[H],public_strict_iteration1_fulltrue_msa,1.8744818176994664,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_942969baf3e42e,catpred_iteration1_kcat,kcat,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.9390197764486663,,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_kcat_kcat_942b3492bce458,catpred_iteration1_kcat,kcat,Q9D110,Q9D110,MAAVTVNSAKRGLRAELKQRLRALSAEERLRQSLLLTQKVIAHNQYQNSKRISIFLSMQDEVETEVIIKDIFKQGKICFIPRYQFQSNHMDMVRLTSSEEIALLPKTSWNIHQPGEGDVREEALSTGGLDLIFLPGLGFDKDGNRLGRGKGYYDTYLKRCVQHQEVKPYTMALAFKEQICPQIPVDEHDMKVDEVLYEDSPAS,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.N=c1nc(O)c2c([nH]1)NC[C@@H]1C[N+](c3ccc(C(O)=N[C@@H](CCC(=O)O)C(=O)O)cc3)=CN21.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.212187604403958,,,s_80e07502537b5f09b4ea0de2,test
catpreddb_kcat_kcat_943432e3e2dbeb,catpred_iteration1_kcat,kcat,A0NXQ8,A0NXQ8,MKITAINVFQVDLPLREGRYSWSNGNFVEVFDSTVVEIETDEGLKGYAECCPLGSAYLPSYALGVRSGLQELAPHLIGKDPLNIGEINRVMDAALRGHPYAKAPIDIACWDLLGKATGQPLYTLLGGAAQDDVALYRAISQEAPEIMAKKIEGYAAEGYTKFQLKVGGDANDDINRIHATRSVLKKSDLLVADANTGWTRHEAARVVGAVSSLDVYIEQPCLTYEESVSIRRRTALPFVLDEVIDGPNTLVRGIAEDAMDCINLKISKVGGLTKAKLMRDLCIAHGIPMTIEDTWGGDIVTAAIAHLARSTPSEFTFSATDFNSYGTVDIAEGAPKRVNGRMTTSDLPGLGITPIFDVLGEPVARYS,O=C(O)[C@H]1NCC[C@H]1O,O=C(O)[C@H]1NCC[C@H]1O,O=C(O)[C@H]1NCC[C@H]1O>>O.O=C(O)C1=NCCC1,public_strict_iteration1_fulltrue_msa,1.3617278360175928,0.9084850188786496,,s_3f856638b53e74391d7eedea,test
catpreddb_kcat_kcat_943e0e6a15682c,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(CC2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1ccc(CC2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1ccc(CC2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_946350bb289018,catpred_iteration1_kcat,kcat,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,0.0086001717619175,,,s_d053f6b16bee1b61e3a75110,test
catpreddb_kcat_kcat_9498cbbbb678e6,catpred_iteration1_kcat,kcat,P76641,P76641,MMSGEHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWENGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGAYGEQLLEWLNKHTFPTERRYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINMRMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFAPTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDVYHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFNLKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFYLATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVDKLFVMMTLGDDRSIYRTYVDGRLVYERN,N=c1nc(O)[nH]c(=N)[nH]1.O,N=c1nc(O)[nH]c(=N)[nH]1.O,N=c1nc(O)[nH]c(=N)[nH]1.O>>N.N=c1nc(O)[nH]c(O)n1,public_strict_iteration1_fulltrue_msa,0.0,,,s_6be357ed52bee5995478ed69,test
catpreddb_kcat_kcat_94a55c5cab8b19,catpred_iteration1_kcat,kcat,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.036212172654445,,,s_75fd08e1a005c55cbd677978,test
catpreddb_kcat_kcat_94b92838719d96,catpred_iteration1_kcat,kcat,P0A9C3,P0A9C3,MLNETPALAPDGQPYRLLTLRNNAGMVVTLMDWGATLLSARIPLSDGSVREALLGCASPECYQDQAAFLGASIGRYANRIANSRYTFDGETVTLSPSQGVNQLHGGPEGFDKRRWQIVNQNDRQVLFALSSDDGDQGFPGNLGATVQYRLTDDNRISITYRATVDKPCPVNMTNHVYFNLDGEQSDVRNHKLQILADEYLPVDEGGIPHDGLKSVAGTSFDFRSAKIIASEFLADDDQRKVKGYDHAFLLQAKGDGKKVAAHVWSADEKLQLKVYTTAPALQFYSGNFLGGTPSRGTEPYADWQGLALESEFLPDSPNHPEWPQPDCFLRPGEEYSSLTEYQFIAE,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,4.278753600952829,1.57978359661681,,s_433175aa591455b5ec2cbfbd,test
catpreddb_kcat_kcat_94c27287702307,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC[C@H](C)[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O,CC[C@H](C)[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O,CC[C@H](C)[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O>>CC(C)CC(=O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.7075701760979365,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_94c2c553e2da4d,catpred_iteration1_kcat,kcat,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.406540180433955,,,s_3e77477216a36cf6ae48eafe,test
catpreddb_kcat_kcat_94c336d51930e0,catpred_iteration1_kcat,kcat,B3Y9H7,B3Y9H7,MELDKEEPEKPLPFTLRRFCISEDFGFLLPNPLTELPDDYRPWMEIASNLPQLIESCQLRARVDKMPLLSCQSLKSYREQHLAHLVLSFITMGYVWQGGEKNTVQVLPRNLALPFVEVSQSLGLPAILVHSDFVLVNWKKKNPDGPLEIGNLDTIVSLPGGDSLKGFILVTWLVEKAAVPGIKALVQAVNAILQSKEDSLCQAMQQLAGSIDEMTWALRQMHDYVDPAIFYAVIRIFLSGWKDNSAMPEGLIYEGISAEPLKYSGGSAAQSTALQVFDELLGIHHNKQSAAFLHRMRNYMPPLHKAFIEEIRAAPSLRQHILSSENSQLYGAYNKCVTALVELRTHHIIIVTKYIITAAANAKANRGKPDQQLGHLPGPPQSLEKRGTGGSGILSFLKSVRDTTKEAMINRGI,O=O.O=O,O=O.O=O,O=O.O=O>>NC(CC(=O)c1ccccc1NC=O)C(=O)O,public_strict_iteration1_fulltrue_msa,4.378688544748113,,,s_47e4fbf0a2f31494ff8e26c0,test
catpreddb_kcat_kcat_94ddfd46511832,catpred_iteration1_kcat,kcat,P10633,P10633,MELLNGTGLWSMAIFTVIFILLVDLMHRRHRWTSRYPPGPVPWPVLGNLLQVDLSNMPYSLYKLQHRYGDVFSLQKGWKPMVIVNRLKAVQEVLVTHGEDTADRPPVPIFKCLGVKPRSQGVILASYGPEWREQRRFSVSTLRTFGMGKKSLEEWVTKEAGHLCDAFTAQAGQSINPKAMLNKALCNVIASLIFARRFEYEDPYLIRMVKLVEESLTEVSGFIPEVLNTFPALLRIPGLADKVFQGQKTFMALLDNLLAENRTTWDPAQPPRNLTDAFLAEVEKAKGNPESSFNDENLRMVVVDLFTAGMVTTATTLTWALLLMILYPDVQRRVQQEIDEVIGQVRCPEMTDQAHMPYTNAVIHEVQRFGDIAPLNLPRFTSCDIEVQDFVIPKGTTLIINLSSVLKDETVWEKPHRFHPEHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVPVGQPRPSTHGFFAFPVAPLPYQLCAVVREQGL,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.2405492482826,,,s_365f886fcc63c11e2d2d706e,test
catpreddb_kcat_kcat_94e305608349b9,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(N)NCCC[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_9504e7b4e0f473,catpred_iteration1_kcat,kcat,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,O=Cc1ccc(CO)o1.O=O,O=Cc1ccc(CO)o1.O=O,O=Cc1ccc(CO)o1.O=O>>O=Cc1ccc(C=O)o1.OO,public_strict_iteration1_fulltrue_msa,-3.096910013008056,,,s_f2bb212131b83045ca25164e,test
catpreddb_kcat_kcat_9505ee5e36726c,catpred_iteration1_kcat,kcat,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CCC(O)(C(C)=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCC(O)(C(C)=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCC(O)(C(C)=O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCC(O)(C(=O)O)C(C)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.1139433523068367,,,s_7aed539f1fd0d29a964f808a,test
catpreddb_kcat_kcat_952af467dd53d9,catpred_iteration1_kcat,kcat,A0A168S2B8,A0A168S2B8,MESGGMSKNSTLICVPIMGETIEKMVVDMSKAKTSGADLVEVRLDTLKRFNPRQDLEVLIRKCPLPTLFTYRPKWEGGQYEGDENSRRDALRLAMELGADYVDIELKVAHEFINSIHGRKPEKFKVIVSSHNYQNTPSVEDLGNLVVSIQATGADIVKIATTALEITDVARIFQITVHSQVPVIGLVMGERGLISRILCPKFSGYLTFGSLEPGIVSAPGQPTIKDLLNLYNFRQLGPDTKVFGVIGKPVSHSKSPHLYNEAFKSVGFNGVYVHLLVDDIAKFFHTYSAADFAGFSCTIPHKEAALKCCDEVSPVAKSIGAVNCIIRRPSDGKLFGYNTDYVGAISAIEDGLRDLHKISSTSGSPLAGKLFVVIGAGGAGKALAYGAKEKGARVVIANRTYARARELADAVGGDALSLADLNNFHPENGMILANTTSIGMQPKVDETPISKHALKYYSLVFDAIYTPKITRLLREAQESGATIVTGLEMFIGQAYEQFERFTGLPAPKELFKQFISNLQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1.[H+],public_strict_iteration1_fulltrue_msa,1.9756615331810583,,,s_ea17a99ea775fd120e8e6609,test
catpreddb_kcat_kcat_9562f7d7dd032c,catpred_iteration1_kcat,kcat,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O,O,O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.7543483357110189,,,s_05faba509306d0ae6d9f3eea,test
catpreddb_kcat_kcat_9564cb61a85aad,catpred_iteration1_kcat,kcat,P05081,P05081,MSTEKLKHHKIIFVVGGPGSGKGTQCEKIVHKYGYTHLSTGDLLRAEVSSGSERGKKLQAIMEKGELVPLDTVLDMLRDAMLAKADTSKGFLIDGYPREVKQGEEFEKKIAPPTLLLYVDAGKETMVKRLLKRGETSGRVDDNEETIKKRLETYYKATEPVIAFYKGRGIVRQLNAEGTVDEVFQQVCSYLDKL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.812913356642856,,,s_1b1b94efc772c15ef15d3f0e,test
catpreddb_kcat_kcat_95656820ef8cdb,catpred_iteration1_kcat,kcat,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.OO.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.OO.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.OO.[Na+].[Na+]>>O,public_strict_iteration1_fulltrue_msa,2.625312450961674,,,s_3922a407c453485de3311bb6,test
catpreddb_kcat_kcat_95746926b38bf5,catpred_iteration1_kcat,kcat,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_kcat_kcat_9578121ed49c59,catpred_iteration1_kcat,kcat,P04181,P04181,MFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTILSF,NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCC=O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.54282542695918,,,s_58788980d9e3f8d588063d04,test
catpreddb_kcat_kcat_957d814ae9689c,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,O,O,O>>O=C(O)c1cccc(O)c1O,public_strict_iteration1_fulltrue_msa,0.568201724066995,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_958b9f50ef0e28,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)OCc1ccccc1,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)OCc1ccccc1,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)OCc1ccccc1>>O=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)OCc1ccccc1.O=C(OCCCc1ccncc1)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,1.8561244442423004,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_95a6b10a7e7b66,catpred_iteration1_kcat,kcat,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,O=O.[Cu+].[H],O=O.[Cu+].[H],O=O.[Cu+].[H]>>O.[Cu+2],public_strict_iteration1_fulltrue_msa,3.99563519459755,,,s_51f714c2449518f0f1cf2f16,test
catpreddb_kcat_kcat_95db4d5d1dd458,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.769551078621726,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_9613895efe7dc4,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1.O>>,public_strict_iteration1_fulltrue_msa,2.7323937598229686,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_964a1af235086f,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.3279021420642825,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_969da68606669c,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.O>>CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,3.0453229787866576,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_96a88e7618a475,catpred_iteration1_kcat,kcat,Q81ST8,Q81ST8,MSGLHILAFGAHADDVEIGMAGTIAKYTKQGYEVGICDLTEADLSSNGTIELRKEEAKAAARIMGVKTRLNLAMPDRGLYMKEEYIREIVKVIRTYKPKLVFAPYYEDRHPDHANCAKLVEEAIFSAGIRKYMPEVPPHRVESFYHYMINGFHKPNFCIDISEYVSQKVEALEAYESQFSTGSDGVKTPLTEGYVETVVAREKMFGKEVGVLYAEGFMSKKPVLLHADLIGGCK,O,O,O>>CC(=O)O,public_strict_iteration1_fulltrue_msa,1.6232492903979006,,,s_bd9cd0da3bac4689a91c75df,test
catpreddb_kcat_kcat_96ba0f0ad03574,catpred_iteration1_kcat,kcat,B4LTG5,B4LTG5,MASPVIDDIQTAKKMKLDKKCVLRYAKIIEHALEPQRGSERAAGFDLRSAYDLIVPARGKAIVKTDLQVQVPEGSYGRVAPRSGLAVKNFIDVGAGVVDEDYRGNLGVVLFNHSDTDFEVKRGDRIAQFICERISIPELEQVDKLDDTVRGESGFGSTGVKELPGDKQQIVTAKTPTDKKCVLRFAKLTEHALEPQRGSEKAAGLDLRSAYDLKVPSRGKAIVKTDLQVQLPEGSYGRVAPRSGLAVKNFIDVGAGVVDEDYRGNLGVVLFNHSDTDFEVKRGDRIAQFICERIFYPELEQEDKLDDTERGEAGFGSTGVKELPGDKQQIVTAKTPTDKKCVLRFAKLTEHALEPQRGSEKAAGLDLRSAYDLIVPAHGKAIVKTDLQVQLPEGSYGRVAPRSGLAVKNFIDVGAGVVDEDYRGNLGVVLFNHSDTDFEVKRGDRIAQFICELIFYPEPKEEDKLDDTERGEAGFGSTGVKELPEAKLAKQQNGNGKTPLGENDATPIST,O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>O=P(O)(O)OP(=O)(O)O.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,0.6720978579357175,,,s_9a5c6d62669a6efdec7cbbc5,test
catpreddb_kcat_kcat_96cd1fb60941bd,catpred_iteration1_kcat,kcat,P76469,P76469,MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGERGVGASVARAARWGRIENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDTMLYSDALDQRLAMFKSGKNGPRIKGSY,O=C(O)CCC(O)CC(=O)C(=O)O,O=C(O)CCC(O)CC(=O)C(=O)O,O=C(O)CCC(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,2.4756711883244296,-0.9119543704721592,,s_1eea168d88c64a23075eba19,test
catpreddb_kcat_kcat_96d4109bf9c662,catpred_iteration1_kcat,kcat,Q187D4,Q187D4,MYNKETICVQGNYKPGNGEPRVLPLYQSTTFKYSSIDQLAELFDLKVDGHIYSRISNPTIQAFEEKISLLEGGVSSVAVSSGQSANMLAVLNICKSGDSILCSSKVYGGTFNLLGPSLKKFGIDLISFDLDSSEDEIVELAKENTKVVFAETLANPTLEVIDFEKIANVAKRINVPFIVDNSLASPVLCNPLKYGANIVTHSTTKYLDGHASSVGGIIVDGGNFNWDNGKFPELVEPDPTYHGISYTQKFGNAAYATKARVQLLRDYGNCLSPFNAYLTNLNVETLHLRMERHSENALKIARFLEKHENVDWINYPGLEDNKYYENAKKYLSRGCSGVLSFGVRGGLENAKKFVEKLQIASLVTHVSDVRTCVIHPASTTHRQLTEEQLIASGVLPSLIRLSVGIENVEDLIADLNQALNF,CC(=O)OCC[C@H](N)C(=O)O.CS,CC(=O)OCC[C@H](N)C(=O)O.CS,CC(=O)OCC[C@H](N)C(=O)O.CS>>CC(=O)O.CSCC[C@H](N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.985201858364572,,,s_ca1d2cddc60a3e3f5b491e27,test
catpreddb_kcat_kcat_96fc9fc2150a64,catpred_iteration1_kcat,kcat,Q9C1V4,Q9C1V4,MASLVAGALCILGLTPAAFARAPVAARATGSLDSFLATETPIALQGVLNNIGPNGADVAGASAGIVVASPSRSDPNYFYSWTRDAALTAKYLVDAFIAGNKDLEQTIQQYISAQAKVQTISNPSGDLSTGGLGEPKFNVNETAFTGPWGRPQRDGPALRATALIAYANYLIDNGEASTADEIIWPIVQNDLSYITQYWNSSTFDLWEEVEGSSFFTTAVQHRALVEGNALATRLNHTCSNCVSQAPQVLCFLQSYWTGSYVLANFGGSGRSGKDVNSILGSIHTFDPAGGCDDSTFQPCSARALANHKVVTDSFRSIYAINSGIAEGSAVAVGRYPEDVYQGGNPWYLATAAAAEQLYDAIYQWKKIGSISITDVSLPFFQDIYPSAAVGTYNSGSTTFNDIISAVQTYGDGYLSIVEKYTPSDGSLTEQFSRTDGTPLSASALTWSYASLLTASARRQSVVPASWGESSASSVPAVCSATSATGPYSTATNTVWPSSGSGSSTTTSSAPCTTPTSVAVTFDEIVSTSYGETIYLAGSIPELGNWSTASAIPLRADAYTNSNPLWYVTVNLPPGTSFEYKFFKNQTDGTIVWEDDPNRSYTVPAYCGQTTAILDDSWQ,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.344981413927258,,,s_5f0631374fe680a8b20d9d28,test
catpreddb_kcat_kcat_9708d826dd40f0,catpred_iteration1_kcat,kcat,P76469,P76469,MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGERGVGASVARAARWGRIENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDTMLYSDALDQRLAMFKSGKNGPRIKGSY,O=C(O)C(=O)C[C@@H](O)CO,O=C(O)C(=O)C[C@@H](O)CO,O=C(O)C(=O)C[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,-0.0969100130080563,,s_1eea168d88c64a23075eba19,test
catpreddb_kcat_kcat_972759ec0e6c69,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O>>,public_strict_iteration1_fulltrue_msa,-1.494850021680094,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_976ff39ef80f77,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CS)C(=O)OCc1ccccc1.O,N[C@@H](CS)C(=O)OCc1ccccc1.O,N[C@@H](CS)C(=O)OCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,0.5910646070264992,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_9779cb734c1aa7,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)[C@H](N)C(=O)O.CCC(=O)C(=O)O,CC(C)[C@H](N)C(=O)O.CCC(=O)C(=O)O,CC(C)[C@H](N)C(=O)O.CCC(=O)C(=O)O>>CC(C)C(=O)C(=O)O.CCC(N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.4913616938342726,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_977b63c48c2848,catpred_iteration1_kcat,kcat,A0A0U4MRI4,A0A0U4MRI4,MNTTGIGLQEVRAAYQRIQGWIHRTPVFTNEGLNKVSGRQLFFKAENLQKTGAFKARGACNAVFLEKEENPKSPGVVTHSSGNHGQAVAYAAKCAGLPCSVVVPKGTPKVKCDAIVNYGAELVFCEPSPAARKEVCAQIAEATGKAIIHPFDNYNVMAGQGTIALELLEEVPDLDAILVPISGGGMTSGIAVATHGLNPNCRVYAVEPFGKELQRSLENKKRMWDNPPRFLETIADAIRTQQVGDLTFPILCDYAESKVFSVTDDQMIEGMRFIFERMKLVVEAASGAAVYAAMNSLEDVTPPPRKVGVILCGGNVDLDHLPWIDRKTSY,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O>>N[C@@H](CO)C(=O)O,public_strict_iteration1_fulltrue_msa,-2.112382699664264,2.0755469613925306,,s_9f5b1ae45b3fab6d3095d7a6,test
catpreddb_kcat_kcat_9789ef4381ed21,catpred_iteration1_kcat,kcat,P0CH36,P0CH36,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC=Cc1ccccc1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC=Cc1ccccc1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC=Cc1ccccc1>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC=Cc1ccccc1.[H],public_strict_iteration1_fulltrue_msa,0.2041199826559248,,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_kcat_kcat_97ee43952d32b5,catpred_iteration1_kcat,kcat,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,O=O.[Fe+2].[H],O=O.[Fe+2].[H],O=O.[Fe+2].[H]>>O.[Fe+3],public_strict_iteration1_fulltrue_msa,3.3096301674258988,,,s_156ab3956782e3458257c298,test
catpreddb_kcat_kcat_98143aff53f8e7,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,O.O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12>>,public_strict_iteration1_fulltrue_msa,2.380211241711606,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_981a935e83b0aa,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.096910013008056,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_9829251cdcdf21,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.6925039620867871,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_98487a55d1ee7d,catpred_iteration1_kcat,kcat,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O>>N=c1nc(O)c2nc[nH]c2[nH]1.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_8b157d74d30d5eae406928c9,test
catpreddb_kcat_kcat_988048153ce6e3,catpred_iteration1_kcat,kcat,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=C(O)CC(=O)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=C(O)CC(=O)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=C(O)CC(=O)C(=O)O>>N[C@@H](CC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-0.619788758288394,,,s_23a07e04da444562badc1284,test
catpreddb_kcat_kcat_989f01798c0147,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccccc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccccc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccccc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,1.255272505103306,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_98ba8ef3c7a582,catpred_iteration1_kcat,kcat,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.1702617153949573,,,s_006f723d5d8d505a1b6694d0,test
catpreddb_kcat_kcat_98e2ee4f639134,catpred_iteration1_kcat,kcat,Q9FGR9,Q9FGR9,MKRFIVLALCMLMVLETTKGLDFHNKDVESENSLWELYERWRSHHTVARSLEEKAKRFNVFKHNVKHIHETNKKDKSYKLKLNKFGDMTSEEFRRTYAGSNIKHHRMFQGEKKATKSFMYANVNTLPTSVDWRKNGAVTPVKNQGQCGSCWAFSTVVAVEGINQIRTKKLTSLSEQELVDCDTNQNQGCNGGLMDLAFEFIKEKGGLTSELVYPYKASDETCDTNKENAPVVSIDGHEDVPKNSEDDLMKAVANQPVSVAIDAGGSDFQFYSEGVFTGRCGTELNHGVAVVGYGTTIDGTKYWIVKNSWGEEWGEKGYIRMQRGIRHKEGLCGIAMEASYPLKNSNTNPSRLSLDSLKDEL,O,O,O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCCC(N)C(=O)O,public_strict_iteration1_fulltrue_msa,-1.8541822855081724,,,s_c6ce96d170296fb865437f79,test
catpreddb_kcat_kcat_9902e2f220a681,catpred_iteration1_kcat,kcat,Q9FGR9,Q9FGR9,MKRFIVLALCMLMVLETTKGLDFHNKDVESENSLWELYERWRSHHTVARSLEEKAKRFNVFKHNVKHIHETNKKDKSYKLKLNKFGDMTSEEFRRTYAGSNIKHHRMFQGEKKATKSFMYANVNTLPTSVDWRKNGAVTPVKNQGQCGSCWAFSTVVAVEGINQIRTKKLTSLSEQELVDCDTNQNQGCNGGLMDLAFEFIKEKGGLTSELVYPYKASDETCDTNKENAPVVSIDGHEDVPKNSEDDLMKAVANQPVSVAIDAGGSDFQFYSEGVFTGRCGTELNHGVAVVGYGTTIDGTKYWIVKNSWGEEWGEKGYIRMQRGIRHKEGLCGIAMEASYPLKNSNTNPSRLSLDSLKDEL,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,-2.213958789757446,,,s_c6ce96d170296fb865437f79,test
catpreddb_kcat_kcat_990fd2638a23b7,catpred_iteration1_kcat,kcat,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.1249387366083,,,s_75fd08e1a005c55cbd677978,test
catpreddb_kcat_kcat_9910947e6f837f,catpred_iteration1_kcat,kcat,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,O.O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O.O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O.O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>O=[N+]([O-])c1ccccc1O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.3519894554356324,,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_kcat_kcat_99462543535b4a,catpred_iteration1_kcat,kcat,Q485S0,Q485S0,MTKNIAQAAVKFEQWQPKIEQESYLTINSLECHTGGEPLRIITSGFPVLKGNTILAKANDCKQNYDQLRRALMFEPRGHADMYGAIITDAERDDSHFGAVFIHNEGYSSMCGHAVIALTKTAVESGVVARTGDVTQVVIDVPCGQIYAMAYSHNNVVKHVSFQCVPSFVYAKDQQVEVDGIGMVQFDIAYGGAFYAYVQASSLGLSLVPEQQEKLIAYGRKIKQAIIPQFEINHPTTAELSFLYGVIFIDDSPNQDVHSRNVCIFADGELDRSPTGSGVSGRIALHHAKQQIVLNETITIESILASSFSVRAIETVCFAGFDAVIPEVTGDAYVCGKGQWFINAEDPLKYGFLLR,O=C(O)[C@H]1NCC[C@@H]1O,O=C(O)[C@H]1NCC[C@@H]1O,O=C(O)[C@H]1NCC[C@@H]1O>>O.O=C(O)C1=NCCC1,public_strict_iteration1_fulltrue_msa,1.345765693114488,0.4456042032735975,,s_eaed4ec956fe64c490e4e848,test
catpreddb_kcat_kcat_994ad69792c254,catpred_iteration1_kcat,kcat,B9K7M6,B9K7M6,MKFGYFDDKNREYVIVTPRTPYPWINYLGTEDFFSIISHMAGGYCFYKDARLRRITRFRYNNVPTDAGGRYFYIREEDGDFWSPTWMPVRRDLSFFEARHGLGYTKIAGERNGLRATITFFVPRHFTGEVHHLVLQNRTERPRRIKLFSFIEFCLWNALDDMTNFQRNYSTGEVEIEGSVIYHKTEYRERRNHYAFYSVNHSIDGFDTDRESFMGLYNGFEAPQAVVEGNPRNSVASGWAPIASHYLELEIPPLGEKELIFILGYVENPEEEKWERPGVINKKRAKEMIERFKTGEDVERALKELKEYWDELLGRIQVETHDEKLNRMVNIWNQYQCMVTFNIARSASYFESGISRGIGFRDSNQDILGFVHMIPEKARQRILDLASIQFEDGSTYHQFQPLTKKGNNEIGGGFNDDPLWLILSTSAYIKETGDWSILNEEVPFDNDPDKKATLFEHLKRSFYFTVNNLGPHGLPLIGRADWNDCLNLNCFSKNPDESFQTTVNALDGRVAESVFIAGLFVLAGKEFVEICRRLGLEDEAKEAEKHVKKMIETTLEYGWDGEWFLRAYDAFGRKVGSKECEEGKIFIEPQGMCVMAGIGVENGYAKKALDSVKEHLDTPYGLVLQQPAYSRYYIELGEISSYPPGYKENAGIFCHNNPWVAIAETVIGRGDRAFEIYRKITPAYLEDISEIHRTEPYVYAQMVAGKDAPRHGEAKNSWLTGTAAWSFVAITQYILGVRPTYDGLMVDPCIPEDWDGFKITRRFRGATYEITVKNPHHVSKGVKEIIVDGKKIEGQVLPVFNDGKVHRVEVLMG,O=P(O)(O)O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O=P(O)(O)O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O=P(O)(O)O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O>>O=P(O)(O)OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.4199557484897578,,,s_ac9c32f9d1e8a1bf38f93288,test
catpreddb_kcat_kcat_99d5a46f364ac3,catpred_iteration1_kcat,kcat,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CC=O)cc(OC)c1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CC=O)cc(OC)c1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CC=O)cc(OC)c1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>COc1cc(/C=C/C=O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,0.0334237554869497,,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_kcat_kcat_99dd61ff1bc2a3,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-].O,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-].O,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-].O>>,public_strict_iteration1_fulltrue_msa,1.57978359661681,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_99f98c88e26e43,catpred_iteration1_kcat,kcat,P00469,P00469,MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV,OC(CS)C(O)CS,OC(CS)C(O)CS,OC(CS)C(O)CS>>Br.O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1.OC1CSSCC1O,public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_8872a5ded9b1f61cb4b520ad,test
catpreddb_kcat_kcat_9a1bfcfb22f347,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-2.130768280269024,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_9a1ce340d3d0d7,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br.O,CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br.O,CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br.O>>C#N.CC1(C)[C@H](C(=O)O)[C@@H]1C=C(Br)Br.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,-0.1023729087095585,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_9a34d672cbc141,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(C)(O)C(O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(C)(O)C(O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(C)(O)C(O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(=O)C(C)(O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.2695129442179165,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_9a3ba2156535c7,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_9a8b94386e9828,catpred_iteration1_kcat,kcat,F9FRH4,F9FRH4,MVALLIFLGIFTCVETLPLSDSPSSYIPEEVPSSQTADIGLPPPTEFTLPNEDDEILIRKLNIQKTRKEILYGPSLIGKTSFFISGPLGDQISQRDQTLWSRDAAPVVQAVSHDAAAALHDIQIHGGLQNLDDYKILYQGHWSSSVPGGIAKGQFSNFTSDLLFSMERLSTNPYILRRLHPHADELPFAVDSKIVQKLTGSTLPSLHKAGRLFLADHSYQKDYVAQEGRYAAACQALFYLDDRCHQFLPLAIKTNVGSNLTYTPLDEPNDWLLAKVMFNVNDLFHGQMYHLASTHAVAEIVHLAALRTMSSRHPVLALLQRLMYQAYAIRPIGNNILFNPGGLIDQNSVFSNVAVRKFATDFYPTVAGPVRSNYFEANLRSRGLLNATHGPDLPHFPFYEDGARIIKVIRTFIQSFVKSIYKSDKVLAKDWELQAWIAEANGAAEVIDFPPTPLKKRKHLVDILTHMAWLTGVSHHVLNQGEPVTTSGVLPLHPGSLYAPVPGEKGVVDSLLPWLPNEQKSVDQISFLALFNRPQIVENNRTLRYMFNSESLLAGTVRAVAAANERFMEEMGHISQEISNRKFDDDGLSQGMPFIWTGMDPGVIPFYLSV,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.O=O,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.O=O,CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.O=O>>CCCCCCCCCCCCCC=CC=CC=C(OO)C(=O)O,public_strict_iteration1_fulltrue_msa,1.60422605308447,,,s_0442306892007a90f6d96c43,test
catpreddb_kcat_kcat_9a9e6c3cdddb0b,catpred_iteration1_kcat,kcat,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCCCCCCCCCCCCC(=O)O.O=O,CCCCCCCCCCCCCCCC(=O)O.O=O,CCCCCCCCCCCCCCCC(=O)O.O=O>>O.O=C(O)CCCCCCCCCCCCCCCO,public_strict_iteration1_fulltrue_msa,-0.7695510786217261,,,s_e8cf4514befa1a1899f825d0,test
catpreddb_kcat_kcat_9ae8f2ef3c644a,catpred_iteration1_kcat,kcat,Q877I0,Q877I0,MNKREIARYIDQTNLKPYATKEDIIKLCDEAIEYGFYAVCVNPYRVKLAKDYLREKNADVKVASVIGFPLGATPTEVKVFEAKRALEDGADELDMVINIGALKDKDYEYVKNDIAEVVKVAHERGAKVKVIIETCYLTEEEKVKACELAKEAGADFVKTSTGFGTGGATVEDVRLMRKVVGPEMGVKAAGGIRTYEQALEMIEAGANRIGTSSGVKIVEGAPDE,O=P(O)(O)OC[C@H]1OC(O)C[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)C[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)C[C@@H]1O>>CC=O.O=C[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,2.0644579892269186,-0.0915149811213502,,s_eec8be8b796f22cc041ffe68,test
catpreddb_kcat_kcat_9ae991ae99bc51,catpred_iteration1_kcat,kcat,E9LVI0,E9LVI0,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.5965970956264603,,,s_622f654e005640bab6abcb8a,test
catpreddb_kcat_kcat_9afb7f1ee21ab7,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.845098040014257,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_9b047b8a881d78,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.7772835288524167,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_9b20a03ce31d05,catpred_iteration1_kcat,kcat,A8RG82,A8RG82,MRYFKEEVAGMKYGIYFAYWTKEWFADYKKYMDKVSALGFDVLEISCAALRDVYTTKEQLIELREYAKEKGLVLTAGYGPTKAENLCSEDPEAVRRAMTFFKDLLPKLQLMDIHILGGGLYSYWPVDFTINNDKQGDRARAVRNLRELSKTAEECDVVLGMEVLNRYEGYILNTCEEAIDFVDEIGSSHVKIMLDTFHMNIEETNMADAIRKAGDRLGHLHLGEQNRLVPGKGSLPWAEIGQALRDINYQGAAVMEPFVMQGGTIGSEIKVWRDMVPDLSEEALDRDAKGALEFCRHVFGI,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,1.6901960800285136,,,s_45bb25d72d8311bbac7d6ed9,test
catpreddb_kcat_kcat_9b63c13946bee3,catpred_iteration1_kcat,kcat,O66548,O66548,MKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.3979400086720376,,,s_029fee419a480a1fbf8f2568,test
catpreddb_kcat_kcat_9bbb181982cf40,catpred_iteration1_kcat,kcat,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc2cccc(O)c2cc1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc2cccc(O)c2cc1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc2cccc(O)c2cc1O>>COc1cccc2cc(C(=O)O)c(O)cc12.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.3467874862246565,,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_kcat_kcat_9bc288e4b3346d,catpred_iteration1_kcat,kcat,Q8IE38,Q8IE38,MHKNICIYGGSFDPITYAHEMVLDKISNLNWIHEIWVVICRCRNDKSLTEFHHRHNMFTIIINNSSKIIKSKIFLKDLESHSEMTPTYDLLKTQKELHPNYTFYFGLGSDLICDIFSWDEGEKLVLENAFIIIERGHFKIDESILKKFPKYYLINIPKLSFINFISSSEARKFLTKENDINDIKKYIHPLTIDYIIKYNLYDFN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.0604807473813815,,,s_979d2073702645bf77230a4c,test
catpreddb_kcat_kcat_9beadbc2744d03,catpred_iteration1_kcat,kcat,G8XUN7,G8XUN7,MNTRIPPGPGAVPMPSRRLFVQGLAAGGVVAGIAAVGVPQRALAAATAAPRLAGAPAVLSDTRIELAIGESLANFTGRTRPAITVNGSLPAPILRWREGQTVDLFVRNTLERHPTSIHWHGILLPANMDGVPGLSFNGIGPGETYHYHFELKQSGTYWYHSHSMFQEQAGLYGALIIDPAEPAPYHHDREHVILLSDWTDMDPGALFRRMKKLAEHDNYYKRTLPDFLRDVKRDGWSAALSDRGMWGRMRMTPTDISDINAHTYTYLMNGTAPAGNWTGLFRSGEKVLLRFINGASMTYFDVRIPGLKMTVVAADGQYIHPVSIDEFRIAPAETYDVLVEPTGQDAFTIFCQDMGRTGFAAGTLAVRHGLQAPIPAPDPRPLLTMSDMGHDMGSGGHGGHDMAAMKGMEGGCGASMGHDGDTASRAPKHPASERNNPLVDMQSSATEPKLDDPGIGLRDNGRQVLTYGAMRSLFEDPDGREPSREIELHLTGHMEKFSWSFDGIPFASAEPLRLNYGERMRIVLVNDTMMQHPIHLHGVWSDLENAQGEFQLRKHTIDMPPGTRRSYRVRADALGRWAYHCHLLYHMEAGMMREVRIEE,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O>>COC1=CC(=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O.O,public_strict_iteration1_fulltrue_msa,0.0293837776852096,,,s_d5955ff5ac396c6fbc4cd205,test
catpreddb_kcat_kcat_9c1a0606d5ee7c,catpred_iteration1_kcat,kcat,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,1.0293837776852095,,,s_85471f35fb7860385479be86,test
catpreddb_kcat_kcat_9c1e2e644eeee1,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCC(=O)CC(O)=NC1CCOC1=O.O,CCCCCC(=O)CC(O)=NC1CCOC1=O.O,CCCCCC(=O)CC(O)=NC1CCOC1=O.O>>CCCCCC(=O)CC(O)=NC(CCO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.6127838567197355,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_9c4fa3f3a3da1a,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O,NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O,NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O>>NC(Cc1ccccc1)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O,public_strict_iteration1_fulltrue_msa,1.792391689498254,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_9c522f8ebdde59,catpred_iteration1_kcat,kcat,O24035,O24035,MAPMVISDKDEMRKWSRSMRSQGKLIALVPTMGFLHEGHLSLVRDAHNHADLVAVSIYVNPGQFSPTEDLSAYPSDFQGDLQKLMSVPGGVDVVFHPHNLYDYGGDGGDAVAECGGDGVVSCVDRRSGFGHETWVRAEKLEKPLCGKSRPVFFRGVATIVTKLFNIVEPDVAVFGKKDYQQWKIIQRMVRDLDFSIKVIGSEVIREKDGLAMSSRNVYLSPEEREKAVSINKSLFRAKSAAEDGQIHCEKLINLVVQSITEAGGRIDYAEIVDQNNLEKVEWIKGPVVFCVSAWFGKARLIDNIEINL,CC(C)(CO)[C@@H](O)C(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCC(=O)O,CC(C)(CO)[C@@H](O)C(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCC(=O)O,CC(C)(CO)[C@@H](O)C(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCC(=O)O>>CC(C)(CO)[C@@H](O)C(O)=NCCC(=O)O.N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.7839035792727349,,,s_ac4888201ab536eccab378de,test
catpreddb_kcat_kcat_9c56fa2ca47b08,catpred_iteration1_kcat,kcat,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(N=c3[nH]c(Cl)nc(=Nc4cccc(S(=O)(=O)O)c4)[nH]3)c2)c2c1C(=O)c1ccccc1C2=O.OO,Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(N=c3[nH]c(Cl)nc(=Nc4cccc(S(=O)(=O)O)c4)[nH]3)c2)c2c1C(=O)c1ccccc1C2=O.OO,Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(N=c3[nH]c(Cl)nc(=Nc4cccc(S(=O)(=O)O)c4)[nH]3)c2)c2c1C(=O)c1ccccc1C2=O.OO>>N=c1nc(Cl)[nH]c(=Nc2cccc(S(=O)(=O)O)c2)[nH]1.O=C(O)c1ccccc1C(=O)O.O=S(=O)(O)c1ccccc1/N=N/c1ccccc1S(=O)(=O)O,public_strict_iteration1_fulltrue_msa,2.428134794028789,,,s_3922a407c453485de3311bb6,test
catpreddb_kcat_kcat_9c5b1aa893c760,catpred_iteration1_kcat,kcat,Q8A8X4,Q8A8X4,MKKYIILLLALCSMSACDYEAVNTNPYGVSDGELGPLKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNTDLISSGNYIGYFGNNNNWGFNNEANWNFTDSRMNYAYQNFYSQIFLPWNEIYEIAKDSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVMAQYDLIYNGNVQNWVKLANSLMLRIAVRVHFIDETLAKEYITKALDPKNGGVIEDISSEAKIKSSDKMPLLNSMLASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYKYGTYNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYPNAVEAWTEYRRTGFPYLMKPMDEAAPGRIGASIEDCRVPERFRFAPTAYNSNPNMAEIPTLLGGGDIGATKLWWVRSNRPKQPNQ,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.3424226808222062,,,s_a69da7593ae7a4a443263f83,test
catpreddb_kcat_kcat_9c63d744dc68d9,catpred_iteration1_kcat,kcat,Q52675,Q52675,MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPTPMLEGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPQGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGADHVTPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPYLMGETDSTPKTAEWASDISGVPAETIKELARLFISKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSYHYSGGGTPSTSGPALSGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFIVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAVAERLGKGKEFTEGKDEMGWIKSFYDDAAKQGKAGGVEMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVLAEVEKYTGPAVTLTGFVAPKAAE,CSC.O.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,CSC.O.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,CSC.O.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1>>C1=CN(Cc2ccccc2)C=CC1C1C=CN(Cc2ccccc2)C=C1.CS(C)=O,public_strict_iteration1_fulltrue_msa,0.9030899869919436,,,s_40f832a68f29dbf50e94d9c3,test
catpreddb_kcat_kcat_9c6419055c1d18,catpred_iteration1_kcat,kcat,C0LL35,C0LL35,MECENGQVASNGNGLCMATPRADPLNWGKAAEELMGSHLEEVKRMVAEYRQPVVKIEGASLRIAQVAAVAAGAGEAKVQLDDSARGRVKESSDWVMNSMMNGTDSYGVTTGFGATSHRRTKEGGALQRELIRFLNAGAFGTGSDGHVLAAEATRAAMLVRINTLLQGYSGIRFEILEAIAKLLNANVTPCLPLRGTITASGDLVPLSYIAGLVTGRENSVAVAPDGRKVNAAEAFKIAGIQGGFFELQPKEGLAMVNGTAVGSGLASTVLFEANILAILAEVLSAVFCEVMNGKPEYTDHLTHKLKHHPGQIEAAAIMEHILEGSSYMKLAKKLGELDPLMKPKQDRYALRTSPQWLGPQIEVIRAATKSIEREINSVNDNPLIDVSRGKALHGGNFQGTPIGVSMDNTRLAIAAVGKLMFAQFSELVNDFYNNGLPSNLSGGRNPSLDYGFKGAEIAMASYCSELQFLGNPVTNHVQSAEQHNQDVNSLGLISSRKTAEAIDILKIMSSTFLVALCQAIDLRHIEENVKSAVKSCVMTVAKKTLSTNSTGDLHVARFCEKDLLKEIDREAVFAYADDPCSPNYPLMKKMRNVLVERALANGMAEFNAETSVFAKVAQFEEELRATLPRAVEAARAAVENGTAATPNRITECRSYPLYRFVREELGTAYLTGEKTRSPGEELNKVLLAINQGKHIDPLLECLKEWNGEPLPIN,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>N.O=C(O)/C=C/c1ccccc1,public_strict_iteration1_fulltrue_msa,1.3283796034387378,-0.5199292546819746,,s_4e968ebdbb19f645e6fa425d,test
catpreddb_kcat_kcat_9c72f26616b68a,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CC(=O)OCC(COC(C)=O)OC(C)=O.O,CC(=O)OCC(COC(C)=O)OC(C)=O.O,CC(=O)OCC(COC(C)=O)OC(C)=O.O>>CC(=O)O.CC(=O)OCC(CO)OC(C)=O,public_strict_iteration1_fulltrue_msa,1.6020599913279625,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_9c85fc90801ae0,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.041392685158225,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_9ca35597a3e1d4,catpred_iteration1_kcat,kcat,O64530,O64530,MASTLFSRTFLAASHRLITPSLPQKIFNPATFLSRSLHSQLGSASTAYKSTTWARRAMASTGVETKAGYSTSSVSTSEPVVSVDWLHANLREPDLKILDASWYMPDEQRNPIQEYQVAHIPRALFFDLDGISDRKTSLPHMLPTEEAFAAGCSALGIDNKDEVVVYDGKGIFSAARVWWMFRVFGHEKVWVLDGGLPRWRASGYDVESSASGDAILKASAASEAIEKIYQGQTVSPITFQTKFQPHLVWTLDQVKNNMEDPTYQHIDARSKARFDGTAPEPRKGIRSGHIPGSKCIPFPQMFDSCNTLLPAEELKKRFDQEDISLDKPIMASCGTGVTACILAMGLHRLGKTDVPIYDGSWTEWATQPDLPIESVESSS,O=S(=O)(O)[S-].[C-]#N,O=S(=O)(O)[S-].[C-]#N,O=S(=O)(O)[S-].[C-]#N>>N#CS.O=S(O)O,public_strict_iteration1_fulltrue_msa,3.89209460269048,,,s_e5519e2cd7d384381c51c0fd,test
catpreddb_kcat_kcat_9ca40166160d72,catpred_iteration1_kcat,kcat,O63067,O63067,MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CC=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CC=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CC=O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCO)C(=O)O,public_strict_iteration1_fulltrue_msa,1.3537239375889492,,,s_d215edcf3d0b04ec0a52bce0,test
catpreddb_kcat_kcat_9ca9c3ecd1f8bb,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@H](O)[C@H](O)CO.[H+]>>,public_strict_iteration1_fulltrue_msa,-2.283996656365201,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_9cf3d8e83e5c2d,catpred_iteration1_kcat,kcat,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,COc1cc(C=O)cc(OC)c1,COc1cc(C=O)cc(OC)c1,COc1cc(C=O)cc(OC)c1>>,public_strict_iteration1_fulltrue_msa,5.421603926869831,-1.7689190795617802,,s_1f8beb386de84deb2f180511,test
catpreddb_kcat_kcat_9d143e3b3d5828,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.5528419686577808,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_9d2210d96bef99,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,O=C(O)/C=C\C(F)=C/C(=O)O,O=C(O)/C=C\C(F)=C/C(=O)O,O=C(O)/C=C\C(F)=C/C(=O)O>>C=C1C=CC(=O)O1.F.O=C=O,public_strict_iteration1_fulltrue_msa,5.193124598354462,-1.0,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_9d22d7331026e3,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccc(O)cc1,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccc(O)cc1,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1ccc(O)cc1>>N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=C(O)c1cc(=O)c2ccccc2[nH]1,public_strict_iteration1_fulltrue_msa,-0.3872161432802645,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_9da74c3db2fe1a,catpred_iteration1_kcat,kcat,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.9143431571194407,,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_kcat_kcat_9dbe25ff3a0ee1,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,-2.283996656365201,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_9dcc79ef7b69b2,catpred_iteration1_kcat,kcat,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCCc1ccc(O)cc1.O.O=O,NCCc1ccc(O)cc1.O.O=O,NCCc1ccc(O)cc1.O.O=O>>N.O=CCc1ccc(O)cc1.OO,public_strict_iteration1_fulltrue_msa,1.1072099696478683,,,s_7b85f430e37427f09efb431e,test
catpreddb_kcat_kcat_9dd9fd96de1a86,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CCl)C(=O)O.O,N[C@@H](CCl)C(=O)O.O,N[C@@H](CCl)C(=O)O.O>>CC(=O)C(=O)O.N.[Cl-],public_strict_iteration1_fulltrue_msa,0.7781512503836436,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_9e15ea6755da87,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)O>>CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,1.3222192947339193,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_9e1607260b15e8,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O>>OC1OC[C@@H](O)[C@H](O)[C@H]1O.O[C@@H]1[C@@H](O)[C@H](O)OC[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.6989700043360187,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_9e1ab2737215d2,catpred_iteration1_kcat,kcat,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1OC(COP(=O)(O)O)C(O)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,6.0,,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_kcat_kcat_9e1e9dac3c4a6d,catpred_iteration1_kcat,kcat,S5RVR8,S5RVR8,MKLHHLLLSLVPLAGSVYAQVAAPYVDSGNGFVFDGITDPVYHVSYGIVLPQATTSSEFIGEIVAPLDAKWIGLALGGAMIGDLLIVAWPNGNEIVSSTRYATAYQLPDVYEGPTITTLPSSLVNSTHWKFVFRCQNCTSWEGGGGIDPTGTGVFAWAYSSVGVDDPSDPNTTFQEHTDFGFFGINFPDAQNSNYQNYLQGDAGTPPPTSTPTGPTTTTTPTGPTVSATPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTAQTGGTYDAPWAKSANLTKFDIPGLFESMFTDPNPWWWCKDTNFFAGCLLGGGTSVNGALYWLPTDSDFSSQNGWPTSWGNHQPYTTKLKQRLPSTDHPSTDGQRYLEQSATVVSQLLSGQGYQQITINDNPDYKDHVYGYSAFDFINGQRAGPVATYLQTALARSNFVYKDYTLVSQVLRNGSTITGVRTNNTALGPNGIVPLNPNGRVILAAGSFGTPRILFQSGIGPTDQIQTVESNPTAAANLPPQSDWINLPVGQAVSDNPSINLVFTHPSIDAYENWADVWSDPRPADAQQYLQSRSGVFAGASPKLNFWRAYGGSDGKTRYAQGTVRPGAASVNTSVAYNASQIFTITVYLSEGITSRGRLGVDAALNMKAVTNPWLTDPVDKTVLLQALHDVVSNINSVPGLTMITPDHTQTIEEYVAAYDPATMCSNHWVGAAKIGSSPSTAVVDENTKVFNTDNLFIVDASIIPALPVGNPHGMLMSAAEQAAAKILALAGGP,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,1.155336037465062,,,s_540537e487379d25dd5c36c3,test
catpreddb_kcat_kcat_9e2c52ee961560,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C(=O)O)C(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,public_strict_iteration1_fulltrue_msa,-1.080921907623926,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_9e404dc4272d6f,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.0,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_9e4eb96b99073a,catpred_iteration1_kcat,kcat,Q5JDU3,Q5JDU3,MHATLREIKRTPEGIKTAQRAFEEFVTNSDFLLPREVVYTGCGSSHFLSQPLAMATTRLGGRGVALPCSELLYSREYYPVGKPELLVSISRSGETTEAVKALESLDVPKFALTAYESTLSRKADYALIVPTHEESVVMTHSFTAFYFAFLQLLNASFGLETYDAEMTSELTREALKNEGYIREITGEFDFRNVIFLGSGILYPIALEAMLKMKEMALFWSEAYQTFEVRHGFKSVADEGTLVVLLVNEPFDWHEKLTKEFQGQGARVLTIGNGDTGADYFIDLPKVDELLTPILHLPIIQLLSYYKAIKRGLNPDQPRFLSKVVKW,NC1C(O)OC(COP(=O)(O)O)C(O)C1O.O,NC1C(O)OC(COP(=O)(O)O)C(O)C1O.O,NC1C(O)OC(COP(=O)(O)O)C(O)C1O.O>>N.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.9890046156985368,,,s_cc632dcefc744f0431f95130,test
catpreddb_kcat_kcat_9e57091aa98b81,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,CC(C)(C)c1ccc(O)c(O)c1.O=O,CC(C)(C)c1ccc(O)c(O)c1.O=O,CC(C)(C)c1ccc(O)c(O)c1.O=O>>CC(C)(C)C1=CC(=O)C(=O)C=C1.O,public_strict_iteration1_fulltrue_msa,1.3117538610557542,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_9e947a00ea0a53,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.0755469613925306,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_9eabe3d03ce05d,catpred_iteration1_kcat,kcat,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCCCCCCCCCC(=O)NCCO.O,CCCCCCCCCCCCCC(=O)NCCO.O,CCCCCCCCCCCCCC(=O)NCCO.O>>CCCCCCCCCCCCCC(=O)O.NCCO,public_strict_iteration1_fulltrue_msa,-0.7695510786217261,,,s_d02e45ef02098b997a7f78aa,test
catpreddb_kcat_kcat_9ec1e3f9fe0f9d,catpred_iteration1_kcat,kcat,P05108,P05108,MLAKGLPPRSVLVKGCQTFLSAPREGLGRLRVPTGEGAGISTRSPRPFNEIPSPGDNGWLNLYHFWRETGTHKVHLHHVQNFQKYGPIYREKLGNVESVYVIDPEDVALLFKSEGPNPERFLIPPWVAYHQYYQRPIGVLLKKSAAWKKDRVALNQEVMAPEATKNFLPLLDAVSRDFVSVLHRRIKKAGSGNYSGDISDDLFRFAFESITNVIFGERQGMLEEVVNPEAQRFIDAIYQMFHTSVPMLNLPPDLFRLFRTKTWKDHVAAWDVIFSKADIYTQNFYWELRQKGSVHHDYRGILYRLLGDSKMSFEDIKANVTEMLAGGVDTTSMTLQWHLYEMARNLKVQDMLRAEVLAARHQAQGDMATMLQLVPLLKASIKETLRLHPISVTLQRYLVNDLVLRDYMIPAKTLVQVAIYALGREPTFFFDPENFDPTRWLSKDKNITYFRNLGFGWGVRQCLGRRIAELEMTIFLINMLENFRVEIQHLSDVGTTFNLILMPEKPISFTFWPFNQEATQQ,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.O=O,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.O=O,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.O=O>>CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C.CC(C)CCC=O.O,public_strict_iteration1_fulltrue_msa,0.7909884750888159,,,s_a97380fe4bf1f95f9d7ca044,test
catpreddb_kcat_kcat_9ed8eeb29d0207,catpred_iteration1_kcat,kcat,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,CC(=O)C(=O)O.N[C@@H](CC(=O)O)c1ccccc1,CC(=O)C(=O)O.N[C@@H](CC(=O)O)c1ccccc1,CC(=O)C(=O)O.N[C@@H](CC(=O)O)c1ccccc1>>C[C@H](N)C(=O)O.O=C(O)CC(=O)c1ccccc1,public_strict_iteration1_fulltrue_msa,-0.4685210829577448,,,s_23a07e04da444562badc1284,test
catpreddb_kcat_kcat_9ef09591e9a74f,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=[N+]([O-])c1ccc(CO)cc1,public_strict_iteration1_fulltrue_msa,2.6972293427597176,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_9f21cdf897b30e,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.380211241711606,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_9f31bd61733f2c,catpred_iteration1_kcat,kcat,P76641,P76641,MMSGEHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWENGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGAYGEQLLEWLNKHTFPTERRYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINMRMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFAPTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDVYHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFNLKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFYLATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVDKLFVMMTLGDDRSIYRTYVDGRLVYERN,N=c1nc(O)c2nn[nH]c2[nH]1.O,N=c1nc(O)c2nn[nH]c2[nH]1.O,N=c1nc(O)c2nn[nH]c2[nH]1.O>>N.Oc1nc(O)c2nn[nH]c2n1,public_strict_iteration1_fulltrue_msa,0.8450980400142568,,,s_6be357ed52bee5995478ed69,test
catpreddb_kcat_kcat_9fcfc1897fa687,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.5774917998372253,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_9fd2e98322502d,catpred_iteration1_kcat,kcat,P09147,P09147,MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O>>OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-2.263603497723357,,,s_4369495df3d7617c874a103e,test
catpreddb_kcat_kcat_9fff008529c67d,catpred_iteration1_kcat,kcat,V5QZ74,V5QZ74,TGLYGEVSGPPAPVSAHVSEEQLPEVRTFTVTAEWSQSDLVRGSRLRYSQQWTLIADSNHHKSIRTVLPPGPCAPVAGELVSAVSPIRGQRAVVRETSGHQLLEIWNHHGLRKCLNLTALKEHGRVYEDVQFGCLSWSECEQKLLYVAEKDKNTHDGESACRKDRSVYCEDWGEALNNKSVPVIFVLNLQNGSVSELQGVPPDVSPGQALWAPGSQSVVFVGWYHEPFRLGLRFCSNRRSAIFKLDLGGNCECVSGSDLSVSCPRLSPDGSTIVYLQGRVFGPHNQCLSLQQLDLRSRKTSTLLEVVNRPLTGEFAGVYEALPPCCWSADSQRVVFSSARRNWKDLYMVDRQSNKVTSLSDSLPDLSKVFGSWKLLTVQKDLMVVCCSSPNTPPTLRVGFLPSAGEAVTWQTLQQPVMTFDLLWTVLDVTPPPEEDNTHYSGLDFGAILVKPTRRLHETKIPLVVFIHGGPHSQFPAEWNSITAGLAQLGFAVLMVNYRGSTGFGQDSILSLIGNIGTQDVKDVQRAVLTALQSDITLDPKRLAVIGGSHGGFLSCHLVGQYPEFYRACAARNPVINAATLLGTSDIVDWRYSSVGLQYSYDQIPTAEALAAMLEKSPITHAAQIKAPVLLMLGGKDRRVSPHQGLELYKALKSRASPVRLLWFPEDGHSLSRVDTQ,CSCC[C@H](N=C(C)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1.O,CSCC[C@H](N=C(C)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1.O,CSCC[C@H](N=C(C)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1.O>>CSCC[C@H](N=C(C)O)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,0.8887409606828927,,,s_bd5087d7e1139710bf97278b,test
catpreddb_kcat_kcat_a0556d5faad934,catpred_iteration1_kcat,kcat,A0QY29,A0QY29,MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVVPDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAMYTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFHPAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADRPESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAALWRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVPAALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIEIDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGYGF,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCC(O)c1ccc(O)cc1,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCC(O)c1ccc(O)cc1,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCC(O)c1ccc(O)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCCCCCCCC(O)=NCC(O)c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_c98fff9ef9ca8eb344a3f0c8,test
catpreddb_kcat_kcat_a066443610abf2,catpred_iteration1_kcat,kcat,Q4J8K9,Q4J8K9,MAKIYTDKDVSLDVIKEKRVAVLGYGSQGRAWALNLRDSGIKVSVGLEREGNSWKQAENDGFKPLRTEEAVRNSDIIIFLLPDMIQRTVYLERVKPYLKEGMDLVFAHGFNIHYRLIEPPSNVDVYMIAPKAPGPIVREYFAKGGGVPALVATYQDHSGKALQKALAVAKAIGATRAGVIETTFKEETETDLFGEQVDLVGGVMQLMRYAFQTLVEAGYQPEVAYFETINEMKLIVDLVYEKGFSGMLTAVSDTAKYGGMTVGKMVIDESVKERMKKALDNIRSGKFAEKWVEEYGKGANTIKEGMKEVDNSTEEKVGRSLRDIILRGKPKS,CC(=O)[C@](C)(O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)[C@](C)(O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)[C@](C)(O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(C)(O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.0190880622231564,,,s_10a36b526837be63a11d1b7f,test
catpreddb_kcat_kcat_a0855332af52b0,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@H](O)[C@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,0.5563025007672873,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_a0ce3ec3ee5b4d,catpred_iteration1_kcat,kcat,Q52675,Q52675,MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPTPMLEGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPQGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGADHVTPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPYLMGETDSTPKTAEWASDISGVPAETIKELARLFISKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSYHYSGGGTPSTSGPALSGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFIVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAVAERLGKGKEFTEGKDEMGWIKSFYDDAAKQGKAGGVEMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVLAEVEKYTGPAVTLTGFVAPKAAE,C1=CN(Cc2ccccc2)C=CC1C1C=CN(Cc2ccccc2)C=C1.C[N+](C)(C)[O-],C1=CN(Cc2ccccc2)C=CC1C1C=CN(Cc2ccccc2)C=C1.C[N+](C)(C)[O-],C1=CN(Cc2ccccc2)C=CC1C1C=CN(Cc2ccccc2)C=C1.C[N+](C)(C)[O-]>>CN(C)C.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,public_strict_iteration1_fulltrue_msa,2.128722284338427,,,s_40f832a68f29dbf50e94d9c3,test
catpreddb_kcat_kcat_a15cd0735197c5,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.7634279935629373,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_a16348da0ffa55,catpred_iteration1_kcat,kcat,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,NC(CO)C(=O)O.O=CC(=O)O,NC(CO)C(=O)O.O=CC(=O)O,NC(CO)C(=O)O.O=CC(=O)O>>NCC(=O)O.O=C(O)C(=O)CO,public_strict_iteration1_fulltrue_msa,0.8061799739838872,,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_kcat_kcat_a169bb3da15fb6,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C(=O)O>>CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O=CC(=O)O,public_strict_iteration1_fulltrue_msa,0.3979400086720376,-1.6989700043360187,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_a16df158dfeb64,catpred_iteration1_kcat,kcat,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=c1cc[nH]c(=O)[nH]1,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=c1cc[nH]c(=O)[nH]1,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=c1cc[nH]c(=O)[nH]1>>O=P(O)(O)OP(=O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.0457574905606751,,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_kcat_kcat_a1709d760b21f3,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.494850021680094,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_a17121fa89186e,catpred_iteration1_kcat,kcat,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,O.OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.0863598306747484,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_a17f5f4aa0cc05,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CCC[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.O,CCC[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.O,CCC[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.O>>CCC[C@H](N=C(O)[C@H](C)N)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O.COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(O)=N[C@@H](Cc3ccc(O)cc3)C(=O)O)cc(=O)oc2c1,public_strict_iteration1_fulltrue_msa,0.3222192947339193,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_a1a61c3a507753,catpred_iteration1_kcat,kcat,Q8KZT3,Q8KZT3,MPLITTETGKKMHVLEDGRKLITVIPGDGVGPECVEATLKVLEAAKAPLAYEVREAGASVFRRGIASGVPQETIESIRKTRVVLKGPLETPVGYGEKSANVTLRKLFETYANVRPVREFPNVPTPYAGRGIDLVVVRENVEDLYAGIEHMQTPSVAQTLKLISWKGSEKIVRFAFELARAEGRKKVHCATKSNIMKLAEGTLKRAFEQVAQEYPDIEAVHIIVDNAAHQLVKRPEQFEVIVTTNMNGDILSDLTSGLIGGLGFAPSANIGNEVAIFEAVHGSAPKYAGKNVINPTAVLLSAVMMLRYLEEFATADLIENALLYTLEEGRVLTGDVVGYDRGAKTTEYTEAIIQNLGKTPRKTQVRGYKPFRLPQVDGAIAPIVPRSRRVVGVDVFVETNLLPEALGKALEDLAAGTPFRLKMISNRGTQVYPPTGGLTDLVDHYRCRFLYTGEGEAKDPEILDLVSRVASRFRWMHLEKLQEFDGEPGFTKAQGED,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.O=C=O.[H],public_strict_iteration1_fulltrue_msa,1.8325089127062364,,,s_3c7f8e07386ae675c0ef0fed,test
catpreddb_kcat_kcat_a1af3c56b6e7e2,catpred_iteration1_kcat,kcat,Q5SLG5,Q5SLG5,MVQVPEIPKVETVELPAKETALIVVDMQNDFAHPKGALFVPDAPQSVPAIRLLLERARQAGAKVVYTQDWHREDDPEFQIWPRHAVAGTWGAEILEELKPEPEDLVIRKVRYDAFYGTPLDHYLHLFGVKHVVVTGTVANICVLHTAGSAALRWYNVVLPEDATSALTPFDLEATLRQVTFLYQGKVTRAEGVRFV,N=C(O)c1cccnc1.O,N=C(O)c1cccnc1.O,N=C(O)c1cccnc1.O>>N.O=C(O)c1cccnc1,public_strict_iteration1_fulltrue_msa,1.6989700043360187,,,s_1135a0dff9e538f0cca8a3e8,test
catpreddb_kcat_kcat_a1d2f6e8897f68,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.585026652029182,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_a1d5411e43512a,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.4471580313422192,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_a1e4c23a916c8f,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)(C)C1=CC(=O)C2OC2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(C)C1=CC(=O)C2OC2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(C)C1=CC(=O)C2OC2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,3.1583624920952498,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_a1f142ba5ed7ab,catpred_iteration1_kcat,kcat,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])c1ccc(CO)cc1,public_strict_iteration1_fulltrue_msa,1.0704073217401198,,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_kcat_kcat_a20f8863e6abd4,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)C[C@H]1CN2.O,public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_a22f54aca9d486,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_a249526a2880c8,catpred_iteration1_kcat,kcat,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)cc(OC)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)cc(OC)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)cc(OC)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc(OC)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.744727494896694,,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_kcat_kcat_a24b82810734ba,catpred_iteration1_kcat,kcat,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,COC(C=O)OC.O=Cc1ccccc1,COC(C=O)OC.O=Cc1ccccc1,COC(C=O)OC.O=Cc1ccccc1>>COC(OC)[C@@H](O)C(=O)c1ccccc1,public_strict_iteration1_fulltrue_msa,2.369215857410143,,,s_1f8beb386de84deb2f180511,test
catpreddb_kcat_kcat_a27ef2465b4b1e,catpred_iteration1_kcat,kcat,A0A191KCR1,A0A191KCR1,MRALYAAGWLLISTVSMTTANRHRQVIGRNHLNHHHRSQRELAYSPPSYPSPWMDPKAAEWQNAYAKAKAFVSKLTLLEKVNLTTGVGWASEQCVGNTGSVPRLGLRGLCLHDSPLGIRGSDYNSAFPSGQTTAATFDRILMYRRGYAMGKEAKGKGINVLLGPVAGPLGRMPAAGRNWEGFSPDPVLTGVGMAETIKGIQDAGVVACAKHLIGNEQEHFRQAGEDYGFNITEALSSNIDDKTMHELYLWPFVDAVRAGVGSVMCAYTQVNNSYSCQNSYLLNYLLKNELGFQGFVMSDWQAQHAGVSAAVAGLDMSMPGDTTFNTGVSFWGANLTLAVLNGTVPRYRIDDMAMRIMAAFFKVHPDIHLDPVNFSFWTRQTYGPLHWRAGDGYQQVNFHVDVREDHHLLIREIAAKGTVLLKNTGGLPLKKPKFIAVIGDDAGPNPNGPNSCDDRGCNNGTLAMGWGSGTANFPYLITPDAALQARALRDGTRYESVLTNYALEKTETLVSQANATAIVFVNANSGEGYTRVDGNMGDRKNLTLWGNGDDLIKNVSSWCSNTIVVIHSTGPVLLTDWYNSPNITAILWAGLPGQESGNSLVDVLYGDVNPAGRTPFTWGATRESYGVDVMYKPNNDDGAPQQDFDEGVFIDYRYFDREDTPVIYEFGHGLSYTTFNYSNLKIEKHNAEPYKPTTGKTTPAPTFGQDDAYGYTGSEKYLFPPSPFRRITDYIYPYLNSTDPHEASLDPHYGQTAEQFLPPGALRADEQPLLRASGQHQPGGNPGLWDVLYTITADITNMGSVTGDEVPQLYVSLGGPQDPKVVLRGFDRLREIGPGETRQFMARLTRRDLSNWDPVLQDWVVGGHKKTVFVGKSSRKLELSAELP,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.8637985386805005,,,s_af42a947021ebd893d029b30,test
catpreddb_kcat_kcat_a281f70a445223,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CCCC1.[H+],public_strict_iteration1_fulltrue_msa,-1.5528419686577808,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_a28745bbef868e,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC[C@H](C)[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC[C@H](C)[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC[C@H](C)[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC[C@H](C)[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_a2b19b803f778a,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCCC=O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCCC=O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCCC=O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCCC(=O)O.[H+],public_strict_iteration1_fulltrue_msa,0.615950051656401,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_a2e7d5375c6c76,catpred_iteration1_kcat,kcat,Q88GW5,Q88GW5,MPEILGHNFIAGQRSAAGPQRLQSLDASTGEALPYSFAQATEAEVDKAAKAAAAAFADFRQLAPARRAEFLDAIAAELDELDDAFVAIVCRETALPAARIQGERGRTSGQMRLFAQVLRRGDFLGARIDLALPERQPLPRVDLRQMRIGVGPVAVFGASNFPLAFSTAGGDTAAALAAGCPVVFKAHSGHMATADLVACAIVRAAERTGMPKGVFNMVFGGGVGEWLVKHPAIQAVGFTGSLKGGDALCRMAAERPQPIPVFAEMSSINPVIILPGALAKRGEAIARELAGSVCMGAGQFCTNPGLVIGLQSPQYSQLLADLGQYLDQQAGQTMLNAGGLHSYVGGLEHLHAHAGIEHVAGQVQEGNQARAQLFKADARLLVESDPLLQEEVFGPTTVAVEVQDNDQLRDALLGLRGQLTATLIGEAEDFDAFAWLVPLLEEKVGRILVNGYPTGVEVCDAMVHGGPYPATSDARGTSVGTLAIDRFLRPVCYQNYPQTLLPEALRDGNPLGLRRLVNGQWSDGAI,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O.O=CCCC(=O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H],public_strict_iteration1_fulltrue_msa,2.294466226161593,,,s_8459db29a7fcce2de085564f,test
catpreddb_kcat_kcat_a3447a6a89c18a,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)C(O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)C(O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)C(O)CO.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)C(O)CO,public_strict_iteration1_fulltrue_msa,0.5211380837040362,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_a351ce26735020,catpred_iteration1_kcat,kcat,V5QZ74,V5QZ74,TGLYGEVSGPPAPVSAHVSEEQLPEVRTFTVTAEWSQSDLVRGSRLRYSQQWTLIADSNHHKSIRTVLPPGPCAPVAGELVSAVSPIRGQRAVVRETSGHQLLEIWNHHGLRKCLNLTALKEHGRVYEDVQFGCLSWSECEQKLLYVAEKDKNTHDGESACRKDRSVYCEDWGEALNNKSVPVIFVLNLQNGSVSELQGVPPDVSPGQALWAPGSQSVVFVGWYHEPFRLGLRFCSNRRSAIFKLDLGGNCECVSGSDLSVSCPRLSPDGSTIVYLQGRVFGPHNQCLSLQQLDLRSRKTSTLLEVVNRPLTGEFAGVYEALPPCCWSADSQRVVFSSARRNWKDLYMVDRQSNKVTSLSDSLPDLSKVFGSWKLLTVQKDLMVVCCSSPNTPPTLRVGFLPSAGEAVTWQTLQQPVMTFDLLWTVLDVTPPPEEDNTHYSGLDFGAILVKPTRRLHETKIPLVVFIHGGPHSQFPAEWNSITAGLAQLGFAVLMVNYRGSTGFGQDSILSLIGNIGTQDVKDVQRAVLTALQSDITLDPKRLAVIGGSHGGFLSCHLVGQYPEFYRACAARNPVINAATLLGTSDIVDWRYSSVGLQYSYDQIPTAEALAAMLEKSPITHAAQIKAPVLLMLGGKDRRVSPHQGLELYKALKSRASPVRLLWFPEDGHSLSRVDTQ,CC(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC(O)=N[C@@H](C)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.2304489213782739,,,s_bd5087d7e1139710bf97278b,test
catpreddb_kcat_kcat_a395bf35c3aa09,catpred_iteration1_kcat,kcat,Q75PK6,Q75PK6,MKQLNRQPTLSKQHRPHHHRLPLPRSLASYLLREHRLLFVLLGFLLASSCFLIYPSFTPLSSSSSPRDTVAASRRLPVGVRKPPLRVVVTGGAGFVGSHLVDELLARGDSVIVVDNFFTGRKENVARHLADPRFELIRHDVVEPILLEVDQIYHLACPASPVHYKFNPIKTIKTNVMGTLNMLGLAKRVGARFLLTSTSEVYGDPLEHPQKESYWGHVNPIGVRSCYDEGKRTAETLTMDYHRGAGVEVRIARIFNTYGPRMCLDDGRVVSNFVAQTLRKQPMTVYGDGKQTRSFQYVSDLVDGLITLMESEHIGPFNLGNPGEFTMLELAQVVKETIDPSARVEFKPNTADDPHMRKPDISKAKSLLHWEPKISLKQGLPRMVSDFQKRIMDEKR,O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>O=C=O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.7958800173440752,-2.065501548756432,,s_9c2a8bd31a2e12296d7fa2bc,test
catpreddb_kcat_kcat_a39cb77acbf405,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O>>C[C@H](N)C(=O)O.O.O=C(O)c1cc(=O)c2ccccc2[nH]1,public_strict_iteration1_fulltrue_msa,-0.431798275933005,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_a3abdeb55c5cd4,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc3)C[C@H]1CN2.O,public_strict_iteration1_fulltrue_msa,0.6334684555795865,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_a3bd13e2f713b3,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,Cl.N=C([O-])c1ccc[n+](Cc2ccccc2)c1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,Cl.N=C([O-])c1ccc[n+](Cc2ccccc2)c1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,Cl.N=C([O-])c1ccc[n+](Cc2ccccc2)c1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.7958800173440754,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_a3f2d590511ce4,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O.O,N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O.O,N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O.O>>CC(=O)C(=O)O.N.O=[N+]([O-])c1ccccc1S,public_strict_iteration1_fulltrue_msa,0.9867717342662448,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_a40661e9d391bc,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1.O>>,public_strict_iteration1_fulltrue_msa,2.146128035678238,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_a42fcf3cc708ed,catpred_iteration1_kcat,kcat,B3VPB3,B3VPB3,MGVSAVLLPLYLLSGVTSGLAVPASRNQSTCDTVDQGYQCFSETSHLWGQYVPFFSLANESAISPDVPAGCRVTFAQVLSRHGARYPTDSKGKKYSALIEEIQQNATTFDGKYAFLKTYNYSLGADDLTPFGEQELVNSGIKFYQRYESLTRNIIPFIRSSGSSRVIASGKKFIEGFQSTKLKDPRAQPGQSSPKIDVVISEASSSNNTLDPGTCTVFEDSELADAVEANFTATFVPTIRQRLENDLSGVSLTDTEVTYLMDMCSFDTISTSTVDTKLSPFCDLFTHDEWINYDYLQSLKKYYGHGAGNPLGPTQGVGYANELIARLTHSPVHDDTSSNHTLDSNSATFPLNSTLYADFSHDNGIISILFALGLYNGTKPLSTTTVQNITQTDGFSSAWTVPFASRLYVEMMQCQAEQEPLVRVLVNDRVVPLHGCPVDALGRCTRDSFVKGLSFARSGGDWAECFA,O.O=P([O-])(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+],O.O=P([O-])(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+],O.O=P([O-])(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+]>>O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]1OP(=O)(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+],public_strict_iteration1_fulltrue_msa,2.403120521175818,,,s_5ed105acb4c7e38459e7081e,test
catpreddb_kcat_kcat_a464c06089a6b8,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_a47c5218739738,catpred_iteration1_kcat,kcat,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=P(O)(O)OCC1(O)OC(CO)C(O)C1O,O=P(O)(O)OCC1(O)OC(CO)C(O)C1O,O=P(O)(O)OCC1(O)OC(CO)C(O)C1O>>O=C(CO)COP(=O)(O)O.O=CC(O)CO,public_strict_iteration1_fulltrue_msa,3.510545010206612,-0.1875748839894388,,s_c914da2418e4f7c204592eba,test
catpreddb_kcat_kcat_a49c4aa8cdfb16,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,1.9030899869919435,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_a4e6a20ccc3d95,catpred_iteration1_kcat,kcat,A8YBP8,A8YBP8,MLIARDITQLVGRTPLVQLNRIPVAEGVKARIVVKLESMNPAASVKDRIGVSMVEDAEAAGLIHPDKTILVEPTSGNTGIALAMVAAAKGYRLVLTMPETMSLERRAMLKAYGAQLELTPGSQGMEGAITRAEEIVENTPNAYSLQQFRNPANPKIHRETTAEEIWADTDGLVDIVIGGVGTGGTITGIAETIKPRRPQFQAIAVEPSNSPVLSGGQPGPHKIQGIGAGFIPAIFRPELIDEVIIVDDTEAFAYARRLARQEGLLSGISAGAALWAAIQVGKRPENEDKLIVMIQPSFGERYLSTALFKDLEDID,CC(=O)OC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O,CC(=O)OC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O,CC(=O)OC[C@H](N)C(=O)O.N[C@@H](CCS)C(=O)O>>CC(=O)O.N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.3654879848909,,,s_b39fddc5573a668f7ec7a7b3,test
catpreddb_kcat_kcat_a4fea5aff5c350,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.4436974992327127,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_a51eb684ebc1b8,catpred_iteration1_kcat,kcat,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCCc1ccccc1.O.O=O,NCCc1ccccc1.O.O=O,NCCc1ccccc1.O.O=O>>N.O=CCc1ccccc1.OO,public_strict_iteration1_fulltrue_msa,1.180125875164054,,,s_7b85f430e37427f09efb431e,test
catpreddb_kcat_kcat_a51f3a4d16bd3b,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>O=P(O)(O)O.O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,1.8976270912904407,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_a53a2f2aa0f75c,catpred_iteration1_kcat,kcat,Q6WNR0,Q6WNR0,MGILSYLCYSLFYLSIFFIIRLLFQSRKFKNLPPGPTSLPIIGNLHHLKRPLNRTFKALTEKYGNVISLWFGSRLVVVVSSLSEFQECFTKNDVVLANRPRFLSGKYIFYNYTTLGSTSYGEHWRNLRRITSLDVLSNHRINNFAPIRRDETQRLIKKLAEDSSTKFAEVELTFRFFDMTFNNIMRMISGKRYYGDDCDISEVQEASQFRDMVSELLQLSGANNKTDFMPLLKFLDFENLEKRVKRIGEKNDVFLSGLLQEQRSKKERTNTMIDHLLNMQESQPEYYTDTIIKGLCLAMLLAGTDSSAVTLEWTMSNILNYPEVLKKVRDEVDTHVGQDRLVDESDLPKLTYLRNVIYETLRLYTPAPLLLPHSTADECIMGGYKVPRDTIVLINAWAIHRDPETWSEATTFKPERFDKKGELEKMIAFGMGRRACPGEGLALRAISMTLALLVQCFDWKRINDEKIDMSERDGFTMTKLLPLKAMCKTRPVVNKVFK,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H],COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=O.[H]>>COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)c(O)c1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,-1.4814860601221125,,,s_bacc29394cd254b63d714887,test
catpreddb_kcat_kcat_a542e455ae2294,catpred_iteration1_kcat,kcat,A0A0M3KL23,A0A0M3KL23,MNAYLSDQPVRLSPLRDEQGNQPRFGLLLEPGRPGMHVGELPAQWLKGLARSHHLLLLRGFAAFADAESLTRYCHDFGEVMLWPFGAVLELVEQEGAEDHIFANNYVPLHWDGMYLETVPEFQVFHCVDAPGDSDGGRTTFSSTPAALQLADSSELELWRRASGRYQRSAAHYSSRSAAPIVERHPRREFPILRFCEPPVEGDASFINPSEFHYDGIAPEQRGELLASLRRCLYHPQAHYAHRWRSDDLVIADNLTLLHGREAFAHRAPRHLRRVHIHAEPALRNPHLQRD,O=C(O)CCC(=O)C(=O)O.O=O.[C-]#[N+][C@@H](Cc1ccc(O)cc1)C(=O)O,O=C(O)CCC(=O)C(=O)O.O=O.[C-]#[N+][C@@H](Cc1ccc(O)cc1)C(=O)O,O=C(O)CCC(=O)C(=O)O.O=O.[C-]#[N+][C@@H](Cc1ccc(O)cc1)C(=O)O>>O.O=C(O)CCC(=O)O.O=C=O.[C-]#[N+]/C(=C/c1ccc(O)cc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.3617278360175928,,,s_ab070c64525a084a7b684905,test
catpreddb_kcat_kcat_a561e0c7335039,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,O=O.Oc1ccccc1O,O=O.Oc1ccccc1O,O=O.Oc1ccccc1O>>O.O=C1C=CC=CC1=O,public_strict_iteration1_fulltrue_msa,1.6434526764861874,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_a576dc701b8c3b,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,2.8721562727482928,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_a5a17dc73c7674,catpred_iteration1_kcat,kcat,P44514,P44514,MKEKVVSLAQDLIRRPSISPNDEGCQQIIAERLEKLGFQIEWMPFNDTLNLWAKHGTSEPVIAFAGHTDVVPTGDENQWSSPPFSAEIIDGMLYGRGAADMKGSLAAMIVAAEEYVKANPNHKGTIALLITSDEEATAKDGTIHVVETLMARDEKITYCMVGEPSSAKNLGDVVKNGRRGSITGNLYIQGIQGHVAYPHLAENPIHKAALFLQELTTYQWDKGNEFFPPTSLQIANIHAGTGSNNVIPAELYIQFNLRYCTEVTDEIIKQKVAEMLEKHNLKYRIEWNLSGKPFLTKPGKLLDSITSAIEETIGITPKAETGGGTSDGRFIALMGAEVVEFGPLNSTIHKVNECVSVEDLGKCGEIYHKMLVNLLDS,NC(CCCC(NC(=O)CCC(=O)O)C(=O)O)C(=O)O.O,NC(CCCC(NC(=O)CCC(=O)O)C(=O)O)C(=O)O.O,NC(CCCC(NC(=O)CCC(=O)O)C(=O)O)C(=O)O.O>>NC(CCCC(N)C(=O)O)C(=O)O.O=C(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,2.568201724066995,,,s_b07f4d5a82f88e0062e88c59,test
catpreddb_kcat_kcat_a5d5e8750fbb29,catpred_iteration1_kcat,kcat,P16303,P16303,MRLYPLVWLFLAACTAWGYPSSPPVVNTVKGKVLGKYVNLEGFAQPVAVFLGIPFAKPPLGSLRFAPPQPAEPWNFVKNTTSYPPMCSQDAVGGQVLSELFTNRKENIPLQFSEDCLYLNVYTPADLTKNSRLPVMVWIHGGGLVVGGASTYDGQVLSAHENVVVVTIQYRLGIWGFFSTGDEHSQGNWGHLDQVAALHWVQDNIANFGGNPGSVTIFGESAGGFSVSALVLSPLAKNLFHRAISESGVVLTSALITTDSKPIANLIATLSGCKTTTSAVMVHCLRQKTEDELLETSLKLNLFKLDLLGNPKESYPFLPTVIDGVVLPKTPEEILAEKSFNTVPYIVGINKQEFGWIIPTLMGYPLSEGKLDQKTAKSLLWKSYPTLKISEKMIPVVAEKYFGGTDDPAKRKDLFQDLVADVMFGVPSVMVSRSHRDAGAPTFMYEFEYRPSFVSAMRPKTVIGDHGDELFSVFGSPFLKDGASEEETNLSKMVMKYWANFARNGNPNGGGLPHWPEYDQKEGYLKIGASTQAAQRLKDKEVAFWSELRAKEAAEEPSHWKHVEL,CCCCCCCC/C=C\CCCCCCCC(=O)O.CO,CCCCCCCC/C=C\CCCCCCCC(=O)O.CO,CCCCCCCC/C=C\CCCCCCCC(=O)O.CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC.O,public_strict_iteration1_fulltrue_msa,-0.5451551399914898,,,s_7e31156bec58f136315549ae,test
catpreddb_kcat_kcat_a5dd5b1ea5bcd9,catpred_iteration1_kcat,kcat,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CO)C(=O)O.Oc1ccccc1,N[C@@H](CO)C(=O)O.Oc1ccccc1,N[C@@H](CO)C(=O)O.Oc1ccccc1>>N[C@@H](Cc1ccc(O)cc1)C(=O)O.O,public_strict_iteration1_fulltrue_msa,-1.9208187539523751,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_a645ba9513b979,catpred_iteration1_kcat,kcat,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.9030899869919435,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_a65526a5eadc68,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(=O)C(C)(O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)(O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)(O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)(O)C(O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.635483746814912,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_a68a597018ce54,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.O,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.O,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.O>>C#N.CC(C)C(C(=O)O)c1ccc(Cl)cc1.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,-0.0409586076789063,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_a69cf3079aea1e,catpred_iteration1_kcat,kcat,Q5I6B5,Q5I6B5,MEKIEVSIISRDTIKPSAASSSLHPYKLSIIDQFTPTTYFPVIFFYPITDRVFNLPQTLTDLKNTVSQALTLYHPLSGRIKNNLYIDDFEAGIPYLEARVNFHMIDFLRLPKIEWLNEFVPMAPYRKETISEFLPLLGIQVNIFDSGIAIGVSFSHKINDGQTASCFLKSWVAIFRGYRNKIIHPNLSQAALLLPSRDDLPEKYVAMMERMWFGEKKVVTRRFVFDAKAISALQDEGKSEYVPKPSRVQALTGFLWKHQLAASRALSSGTSTRFSVASQTVNLRSKMNMKTTLDNAIGNIFLWASARLDLNDTAPGSSDLKLCDLVNLLNESIKEFNSDYLEILKGKEGYGGMCDLLDFMEEGSFVEPAPEFYSFSSWTRFFDQVDFGWGRPSWVGFSGRVETRNFTIFVETQCDDGIDAWVTVDEKQMAMLEQDPQFLAFASPNPRISIASSVGMD,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC(C)=CCC/C(C)=C/CO,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC(C)=CCC/C(C)=C/CO,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC(C)=CCC/C(C)=C/CO>>CC(=O)OC/C=C(\C)CCC=C(C)C.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,public_strict_iteration1_fulltrue_msa,-0.3665315444204134,,,s_c7bbaddd8533855138d88c4c,test
catpreddb_kcat_kcat_a6b21840c37963,catpred_iteration1_kcat,kcat,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CCC(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CCC(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CCC(O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H],public_strict_iteration1_fulltrue_msa,-0.1487416512809247,,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_kcat_kcat_a7004017375a86,catpred_iteration1_kcat,kcat,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,O=C(O)c1ccc(O)cc1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(O)c1ccc(O)cc1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(O)c1ccc(O)cc1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_a6bfd646457ffec3f91681c4,test
catpreddb_kcat_kcat_a7132b536cdca6,catpred_iteration1_kcat,kcat,A8NU13,A8NU13,MRPTARQFTLPDLFSICPLQDATNPWYKQAAAESRAWINSYNIFTDRKRAFFIQGSNELLCSHVYAYAGYEQFRTCCDFVNLLFVVDEISDDQNGQDARATGRIFVNAMRDAHWDDGSILAKITHEFRERFVRLAGPKTVRRFADLCESYTDCVAREAELRERNQVLGLNDFIALRRQNSAVLLCYSLVEYILGIDLDDEVYEDPTFAKAYWAACDFVCWANDVYSYDMEQAKGHTGNNVVTVLMKEKDLSLQEASDYIGRECEKQMRDYLEAKSQLLQSTDLPQEAVRYIEALGYWMVGNLVWSFESQRYFGAQHERVKATHVVHLRPSSVLEASCDSDSDSDC,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O>>C=CC(C)=CCC=C(C)C.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-3.795880017344075,-1.619788758288394,,s_32294fc987518b3d6e4d1e15,test
catpreddb_kcat_kcat_a720458e1cc61c,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)C(=O)O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.82865989653532,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_a74f092ce847e8,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.7781512503836436,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_a769fdceb78603,catpred_iteration1_kcat,kcat,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>OC1COC(O)C(O)C1O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.537602002101044,,,s_577e1452403bbeb8c4453dd0,test
catpreddb_kcat_kcat_a777038e263f1e,catpred_iteration1_kcat,kcat,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,NC(CO)C(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2>>NCC(=O)O.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)C[C@H]1CN2.O,public_strict_iteration1_fulltrue_msa,0.5185139398778875,,,s_99194f0d2881984ce5dbff5f,test
catpreddb_kcat_kcat_a793454a4e7771,catpred_iteration1_kcat,kcat,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)S)C(O)C1O.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)S)C(O)C1O.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)S)C(O)C1O.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.4814860601221125,,,s_b3f55c0dc962540433caeabb,test
catpreddb_kcat_kcat_a79ac449a28c25,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,-1.259637310505756,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_a7b2828a1066e4,catpred_iteration1_kcat,kcat,O54050,O54050,MEIAFLLNGETRRVRIEDPTQSLLELLRAEGLTGTKEGCNEGDCGACTVMIRDAAGSRAVNACLMMLPQIAGKALRTIEGIAAPDGRLHPVQQAMIDHHGSQCGFCTPGFIVSMAAAHDRDRKDYDDLLAGNLCRCTGYAPILRAAEAAAGEPPADWLQADAAFTLAQLSSGVRGQTAPAFLPETSDALADWYLAHPEATLIAGGTDVSLWVTKALRDLPEVAFLSHCKDLAQIRETPDGYGIGAGVTIAALRAFAEGPHPALAGLLRRFASEQVRQVATIGGNIANGSPIGDGPPALIAMGASLTLRRGQERRRMPLEDFFLEYRKQDRRPGEFVESVTLPKSAPGLRCYKLSKRFDQDISAVCGCLNLTLKGSKIETARIAFGGMAGVPKRAAAFEAALIGQDFREDTIAAALPLLAQDFTPLSDMRASAAYRMNAAQAMALRYVRELSGEAVAVLEVMP,O.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.Oc1nc(O)c2nc[nH]c2n1,O.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.Oc1nc(O)c2nc[nH]c2n1,O.O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.Oc1nc(O)c2nc[nH]c2n1>>Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1.Oc1nc(O)c2nc(O)[nH]c2n1,public_strict_iteration1_fulltrue_msa,2.130333768495006,,,s_17dfb6488093fe1b6cdf6bec,test
catpreddb_kcat_kcat_a7c2de5dfac5a5,catpred_iteration1_kcat,kcat,Q9UVQ5,Q9UVQ5,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSISTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>CCn1/c(=N/N=C2/Sc3cc(S(=O)(=O)[O-])ccc3[N+]2CC)sc2cc(S(=O)(=O)[O-])ccc21.O,public_strict_iteration1_fulltrue_msa,5.303196057420489,,,s_7be56673c21fd425bdc26c98,test
catpreddb_kcat_kcat_a7cfa63819177b,catpred_iteration1_kcat,kcat,A3D2G6,A3D2G6,MKLKSIAAAVGLCLASLSVAHASDKTIYLTFDDGPIDATLGLLDALKDANIKATFFINAFHMYGEGDENEALAAVALQRLLDDGHILANHSYDHMLHNCTDGVQSGAVYCNQVGLWPVKSYQDAATDFTYFVTNTAKVVEIIPNAASYPNNKMTKLARLPYTNGWRVSSKLKGDGLCATSDTVPPWDPAFACTAETSTNSSQVAVQIQNMLAESDYKIFGWDFDWGPEDWGVAFPAESMADGVELVDKINQVINTCAGTTMNPLNSRTQNLDCSDGLHDGKVVILTHDFLFENAHRGQGATINLPKIKRFVEEAQRQGYRFDTLDNYAPAWQDQHDYQQPDFVSYQDKIYSLVQAHFSQSNWQPNQTPALWKNEK,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O>>CC(=O)O.CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.230448921378274,,,s_bbb284dfef6d653ce2225599,test
catpreddb_kcat_kcat_a7cff4beff4180,catpred_iteration1_kcat,kcat,Q81FP2,Q81FP2,MSGLHILAFGAHADDVEIGMAGTIAKYTKQGYEVGICDLTEADLSSNGTIELRKEEAKVAARIMGVKTRLNLAMPDRGLYMKEEYIREIVKVIRTYKPKLVFAPYYEDRHPDHANCAKLVEEAIFSAGIRKYMPELSPHRVESFYNYMINGFHKPNFCIDISEYLSIKVEALEAYESQFSTGSDGVKTPLTEGYVETVIAREKMFGKEVGVLYAEGFMSKKPVLLHADLLGGCK,CC(=O)NC1C(O)OC(CO)C(O)C1O.O,CC(=O)NC1C(O)OC(CO)C(O)C1O.O,CC(=O)NC1C(O)OC(CO)C(O)C1O.O>>CC(=O)O.NC1C(O)OC(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.6989700043360187,,,s_92e3dfc968bb1c3fb4e38f48,test
catpreddb_kcat_kcat_a7e82b84b901de,catpred_iteration1_kcat,kcat,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O.O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O.O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O.O>>CC(O)=N[C@@H](C)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O.CO,public_strict_iteration1_fulltrue_msa,3.5705429398818977,,,s_2d84b510953f7377dca5997d,test
catpreddb_kcat_kcat_a8088cf4d76fe7,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,CCCCCCCOC1OC(CO)C(O)C(O)C1O.O,CCCCCCCOC1OC(CO)C(O)C(O)C1O.O,CCCCCCCOC1OC(CO)C(O)C(O)C1O.O>>CCCCCCCO.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.0604807473813814,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_a81fcceb755ce5,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCCc1ccccc1.O.O=O,NCCc1ccccc1.O.O=O,NCCc1ccccc1.O.O=O>>N.O=CCc1ccccc1.OO,public_strict_iteration1_fulltrue_msa,0.0492180226701816,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_a8646d52453002,catpred_iteration1_kcat,kcat,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(/C=C/C=O)cc(OC)c1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],COc1cc(/C=C/C=O)cc(OC)c1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],COc1cc(/C=C/C=O)cc(OC)c1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>COc1cc(/C=C/CO)cc(OC)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.6147917919564176,,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_kcat_kcat_a8eee993837616,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H+],public_strict_iteration1_fulltrue_msa,1.7853298350107671,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_a90f85f127e8a1,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(CO)[C@@H](O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.5211380837040362,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_a91febdedef781,catpred_iteration1_kcat,kcat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public_strict_iteration1_fulltrue_msa,2.0253058652647704,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_a9254d21cbc705,catpred_iteration1_kcat,kcat,E5BBQ3,E5BBQ3,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1,O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1,O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1>>O=C(O)c1ccc(C(=O)O)cc1.OCCO,public_strict_iteration1_fulltrue_msa,1.428134794028789,,,s_622f654e005640bab6abcb8a,test
catpreddb_kcat_kcat_a9bf58b34d8de6,catpred_iteration1_kcat,kcat,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,CC(C)[C@@H](N)C(=O)O.O.O=O,CC(C)[C@@H](N)C(=O)O.O.O=O,CC(C)[C@@H](N)C(=O)O.O.O=O>>CC(C)C(=O)C(=O)O.N.OO,public_strict_iteration1_fulltrue_msa,2.3521825181113627,,,s_d9fe73494ede26238d4e9e26,test
catpreddb_kcat_kcat_a9c5d23425bd99,catpred_iteration1_kcat,kcat,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.2479732663618066,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_a9d4498f31755a,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CCCC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCC[C@@H](O)C(=O)[O-].NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-1.3010299956639813,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_a9de97d9de0b52,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.9822712330395684,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_a9e6cf4766b8de,catpred_iteration1_kcat,kcat,Q88BN6,Q88BN6,MYNSNSAVSQLQNSPLVDNIKYPPTVWSRADALKVNENDPTTTQPLVSADFPVMSDTVFIWDTMPLRELDGTVVSVNGWSVIITLTADRHPDDPQYLGPDGRYDIKRDWEDRHGRARMCYWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDKGDIDLYYTCVTPGAAIAKVRGRIVTSDQGVELKDFTQVKKLFEADGTYYQTEAQNSSWNFRDPSPFIDPNDGKLYMVFEGNVAGERGSHTVGVAELGPVPPGHEDVGGARFQVGCIGLAVAKDLSGEEWEILPPLVTAVGVNDQTERPHYVFQDGKYYLFTISHKFTYADGVTGPDGVYGFVGEHLFGPYRPMNASGLVLGNPPEQPFQTYSHCVMPNGLVTSFIDSVPTTGEDYRIGGTEAPTVRILLKGDRSFVQEEYDYGYIPAMKDVQLS,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.702775077901044,,,s_6e6a4b8529c4f0656e17a645,test
catpreddb_kcat_kcat_a9fee06af3280f,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,C[C@H](N)C(=O)N[C@H](CCCN=C(N)N)C(=O)O,C[C@H](N)C(=O)N[C@H](CCCN=C(N)N)C(=O)O,C[C@H](N)C(=O)N[C@H](CCCN=C(N)N)C(=O)O>>C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O,public_strict_iteration1_fulltrue_msa,-1.0,0.2787536009528289,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_aa09669ab9395b,catpred_iteration1_kcat,kcat,Q9WYS1,Q9WYS1,MVLKVFKDHFGRGYEVYEKSYREKDSLSFFLTKEEEGKILVVAGEKAPEGLSFFKKQRAEGVSFFFCERNHENLEVLRKYFPDLKPVRAGLRASFGTGDRLGITTPAHVRALKDSGLFPIFAQQSVRENERTGRTWRDVLDDATWGVFQEGYSEGFGADADHVKRPEDLVSAAREGFTMFTIDPSDHVRNLSKLTEKERNEKFEEILRKERIDRIYLGKKYSVLGEKIEFDEKNLRDAALVYYDAIAHVDMMYQILKDETPDFDFEVSVDETETPTSPLFHIFVVEELRRRGVEFTNLALRFIGEWEKGIDYKGDLAQFEREIKMHAEIARMFEGYKISLHSGSDKFSVYPAFASATGGLFHVKTAGTSYLEAVKVISMVNPELFREIYRCTLDHFEEDRKSYHISADLSKVPEVEKVKDEDLPGLFEDINVRQLIHVTYGSVLKDASLKERLFKTLEQNEELFYETVAKHIKRHVDLLEG,O=C(O)[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(O)[C@H]1OC(O)(CO)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.8129133566428556,-0.1674910872937636,,s_f1e53c5493055e71486178e8,test
catpreddb_kcat_kcat_aa1b75e37abe6d,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O,public_strict_iteration1_fulltrue_msa,0.5185139398778875,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_aa253fad001579,catpred_iteration1_kcat,kcat,G2IKV5,G2IKV5,MDQFNKTIKGIKDRGAAQLFIDGEWRASSGSNELTVVTPHNEETVLTYIEPTTADVDIAVAAARKAFDQGPWPRMSPAERGTYLKKVSDLLMARMPELAEAWTGQVGAVIGFTSKASYQVPGLFKFYGELNDSYPFIEERIGSMGGNKVRVVQEPVGVVAAVTPWNAPLVLLVYKVAAALAAGCTMVCKPSPETPIDAHILAECIKDAGIPAGVFNMLPAGREVGDHLIRHPGVDKISFTGSTAAGKHIAGVASERLARVSLELGGKSAAMILEDADMDHVLKSLVPYSMPITGQVCFSLTRVLVPKSRKAEIVDAYTSAVSKVKVGDPFQADVGMGPLTMQRQLERVQGYIEKGKAEGATLALGGGRPADLNRGFFVEPTVFTDVDPNMTIFKEEIFGPVVSFVDYDNEADMIAKANDTIYGLHGAVYTQDAERGFAVAREYRAGSVTINGMMVDIHMPFGGFKQSGIGRDGGLEGLENYLETKAVYFA,COc1cc(C=O)cc(OC)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,COc1cc(C=O)cc(OC)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,COc1cc(C=O)cc(OC)c1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>COc1cc(C(=O)O)cc(OC)c1[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.00436480540245,,,s_02b5510e5f9d2109bddd90ce,test
catpreddb_kcat_kcat_aa282e3d9d47e5,catpred_iteration1_kcat,kcat,A0A832W5V7,A0A832W5V7,MEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.6009728956867484,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_aa2dc0f0a08db3,catpred_iteration1_kcat,kcat,P9WHK9,P9WHK9,MAGPDRAELAELVRRLSVVHGRVTLSSGREADYYVDLRRATLHHRASALIGRLMRELTADWDYSVVGGLTLGADPVATAIMHAPGRPIDAFVVRKSAKAHGMQRLIEGSEVTGQRVLVVEDTSTTGNSALTAVHAVQDVGGEVVGVATVVDRATGAAEAIEAEGLRYRSVLGLADLGLD,O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O>>O=C(O)c1cc(O)nc(O)n1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.5528419686577808,,,s_2afc4eaf023153df9b9f42b2,test
catpreddb_kcat_kcat_aa38c5ffc9922c,catpred_iteration1_kcat,kcat,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.4183012913197454,,,s_6054a43023a3df240062cbaf,test
catpreddb_kcat_kcat_aa4f2f64a5bc1c,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.632644078973981,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_aa70e33ea38757,catpred_iteration1_kcat,kcat,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O.O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O.O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O.O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O>>O=P(O)(O)O.OC1C(O)C(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.6232492903979004,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_aa7cc8bd9f7460,catpred_iteration1_kcat,kcat,Q96UT7,Q96UT7,MSRFHSLFAFVVASLTAVAHAGIGPVADLTITNAAVSPDGFSRQAVVVNGGTPGPLITGNMGDRFQLNVIDNLTNHTMLKSTSIHWHGFFQKGTNWADGPAFINQCPISSGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPAADLYDVDNDDTVITLVDWYHVAAKLGPAFPLGADATLINGKGRSPSTTTADLSVISVTPGKRYRFRLVSLSCDPNYTFSIDGHNMTIIETDSINTAPLVVDSIQIFAAQRYSFVLEANQAVDNYWIRANPNFGNVGFTGGINSAILRYDGAAAVEPTTTQTTSTAPLNEVNLHPLVATAVPGSPVAGGVDLAINMAFNFNGTNFFINGASFTPPTVPVLLQIISGAQNAQDLLPSGSVYSLPSNADIEISFPATAAAPGAPHPFHLHGHAFAVVRSAGSTVYNYDNPIFRDVVSTGTPAAGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVFAEDIPDVASANPVPQAWSDLCPTYDARDPSDQ,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O,public_strict_iteration1_fulltrue_msa,0.1139433523068367,,,s_270cd71f8368b1336b9b25f1,test
catpreddb_kcat_kcat_aa8eccd86e9605,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1,O.O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1>>O=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1.O=C(OCCCc1ccncc1)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,-0.1307682802690238,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_aacae3e84961cb,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.4436974992327127,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_aacb17b869ab37,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>O[C@@H]1[C@@H](O)[C@H](O)OC[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.468521082957745,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_aad620bdf3fd99,catpred_iteration1_kcat,kcat,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1.O,N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1.O,N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1.O>>N[C@H](CC(=O)O)Cc1ccccc1.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_0c3e58e911f51068e88986ab,test
catpreddb_kcat_kcat_aaeb0388283332,catpred_iteration1_kcat,kcat,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.629307640073749,,,s_172b558c15818a4aa109b980,test
catpreddb_kcat_kcat_aaf8f420f47294,catpred_iteration1_kcat,kcat,G2IKV5,G2IKV5,MDQFNKTIKGIKDRGAAQLFIDGEWRASSGSNELTVVTPHNEETVLTYIEPTTADVDIAVAAARKAFDQGPWPRMSPAERGTYLKKVSDLLMARMPELAEAWTGQVGAVIGFTSKASYQVPGLFKFYGELNDSYPFIEERIGSMGGNKVRVVQEPVGVVAAVTPWNAPLVLLVYKVAAALAAGCTMVCKPSPETPIDAHILAECIKDAGIPAGVFNMLPAGREVGDHLIRHPGVDKISFTGSTAAGKHIAGVASERLARVSLELGGKSAAMILEDADMDHVLKSLVPYSMPITGQVCFSLTRVLVPKSRKAEIVDAYTSAVSKVKVGDPFQADVGMGPLTMQRQLERVQGYIEKGKAEGATLALGGGRPADLNRGFFVEPTVFTDVDPNMTIFKEEIFGPVVSFVDYDNEADMIAKANDTIYGLHGAVYTQDAERGFAVAREYRAGSVTINGMMVDIHMPFGGFKQSGIGRDGGLEGLENYLETKAVYFA,COc1cc(C=O)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,COc1cc(C=O)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,COc1cc(C=O)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>COc1cc(C(=O)O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.1023729087095585,,,s_02b5510e5f9d2109bddd90ce,test
catpreddb_kcat_kcat_ab1e03c5da6aa9,catpred_iteration1_kcat,kcat,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O>>,public_strict_iteration1_fulltrue_msa,0.3180633349627615,,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_kcat_kcat_ab4a309c1ea2a2,catpred_iteration1_kcat,kcat,P37666,P37666,MKPSVILYKALPDDLLQRLQEHFTVHQVANLSPQTVEQNAAIFAEAEGLLGSNENVNAALLEKMPKLRATSTISVGYDNFDVDALTARKILLMHTPTVLTETVADTLMALVLSTARRVVEVAERVKAGEWTASIGPDWYGTDVHHKTLGIVGMGRIGMALAQRAHFGFNMPILYNARRHHKEAEERFNARYCDLDTLLQESDFVCLILPLTDETHHLFGAEQFAKMKSSAIFINAGRGPVVDENALIAALQKGEIHAAGLDVFEQEPLSVDSPLLSMANVVAVPHIGSATHETRYGMAACAVDNLIDALQGKVEKNCVNPHVAD,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)C(O)C(O)C(O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)C(O)C(O)C(O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)C(O)C(O)C(O)CO.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C(O)C(O)C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,1.60959440922522,,,s_d75c553801007e38e2c3b60c,test
catpreddb_kcat_kcat_abd4d621ec169f,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.CC[C@H](C)[C@H](N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(=O)O,public_strict_iteration1_fulltrue_msa,2.307496037913213,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_ac134c34e79488,catpred_iteration1_kcat,kcat,A8IW39,A8IW39,MQLNVRSTASGARSSTRSRRMTAVVQAVAQRAGTIDVQRNENFGKLRAGYLFPEIARRRKAHQEKNPDAKIISLGIGDTTEPLPKYIADAMAKAAAGLATREGYSGYGAEQGQGALREAVASTFYGHAGRAADEIFISDGSKCDIARIQMMFGSKPTVAVQDPSYPVYVDTSVMMGMTGDHNGTGFDGIEYMVCNPDNHFFPDLSKAKRTDIIFFCSPNNPTGAAATRAQLTELVNFARKNGSILVYDAAYALYISNPDCPKTIYEIPGADEVAIETCSFSKYAGFTGVRLGWTVVPKALKYANGEPVHADWNRVMTTCFNGASNIVQAGGLACLQPEGLKEMNAMIKFYKENAQILKTTFTEMGFSVYGGDDAPYIWVGFPGKPSWDVFAEILERCNIVTTPGSGFGPAGEGFVRASAFGSRENILEAVRRFKEAYGKRN,N[C@@H](CCC(=O)O)C(=O)O.O.O=C(O)C1=NC(C(=O)O)CCC1,N[C@@H](CCC(=O)O)C(=O)O.O.O=C(O)C1=NC(C(=O)O)CCC1,N[C@@H](CCC(=O)O)C(=O)O.O.O=C(O)C1=NC(C(=O)O)CCC1>>N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.041392685158225,,,s_2105e8461c2d2ae046198893,test
catpreddb_kcat_kcat_ac1af40ead8d20,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,-1.9208187539523751,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_ac5ce52ff94dda,catpred_iteration1_kcat,kcat,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCCCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCCCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCCCC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CCCCCCCC(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.3362990746103518,,,s_7c84c2d6fea9905641654dda,test
catpreddb_kcat_kcat_ac635eec557465,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,OC(CCl)CCl,OC(CCl)CCl,OC(CCl)CCl>>Cl.ClCC1CO1,public_strict_iteration1_fulltrue_msa,0.9867717342662448,-2.0,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_ac65030ed332a3,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C\C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.6382721639824072,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_ac77f54f771cc4,catpred_iteration1_kcat,kcat,O52250,O52250,MQTQILERMESDVRTYSRSFPVVFTKARNARLTDEEGREYIDFLAGAGTLNYGHNNPHLKQALLDYIDSDGIVHGLDFWTAAKRDYLETLEEVILKPRGLDYKVHLPGPTGTNAVEAAIRLARVAKGRHNIVSFTNGFHGVTMGALATTGNRKFREATGGVPTQAASFMPFDGYLGSSTDTLDYFEKLLGDKSGGLDVPAAVIVETVQGEGGINVAGLEWLKRLESICRANDILLIIDDIQAGCGRTGKFFSFEHAGITPDIVTNSKSLSGYGLPFAHVLMRPELDKWKPGQYNGTFRGFNLAFATAAAAMRKYWSDDTFERDVQRKARIVEERFGKIAAWLSENGIEASERGRGLMRGIDVGSGDIADKITHQAFENGLIIETSGQDGEVVKCLCPLTIPDEDLVEGLDILETSTKQAFS,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,NCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CC=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.0791812460476247,,,s_180c32fe71f69cef4312d55e,test
catpreddb_kcat_kcat_ac8cf20ed532dc,catpred_iteration1_kcat,kcat,P9WHK9,P9WHK9,MAGPDRAELAELVRRLSVVHGRVTLSSGREADYYVDLRRATLHHRASALIGRLMRELTADWDYSVVGGLTLGADPVATAIMHAPGRPIDAFVVRKSAKAHGMQRLIEGSEVTGQRVLVVEDTSTTGNSALTAVHAVQDVGGEVVGVATVVDRATGAAEAIEAEGLRYRSVLGLADLGLD,O=C(O)c1cc(O)nc(O)n1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=C(O)c1cc(O)nc(O)n1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=C(O)c1cc(O)nc(O)n1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.2146701649892329,,,s_2afc4eaf023153df9b9f42b2,test
catpreddb_kcat_kcat_ac9476300ea2e9,catpred_iteration1_kcat,kcat,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.9185545305502734,,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_kcat_kcat_acbce047b30e43,catpred_iteration1_kcat,kcat,Q9LTR9,Q9LTR9,MADNNSPPGSVEQKADQIVEANPLVKDDTSLETIVRRFQDSMSEAKTHKFWETQPVGQFKDIGDTSLPEGPIEPATPLSEVKQEPYNLPSVYEWTTCDMNSDDMCSEVYNLLKNNYVEDDENMFRFNYSKEFLRWALRPPGYYQSWHIGVRAKTSKKLVAFISGVPARIRVRDEVVKMAEINFLCVHKKLRSKRLAPVMIKEVTRRVHLENIWQAAYTAGVILPTPITTCQYWHRSLNPKKLIDVGFSRLGARMTMSRTIKLYKLPDAPITPGFRKMEPRDVPAVTRLLRNYLSQFGVATDFDENDVEHWLLPREDVVDSYLVESPETHDVTDFCSFYTLPSTILGNPNYTTLKAAYSYYNVATQTSFLQLMNDALIVSKQKGFDVFNALDVMHNESFLKELKFGPGDGQLHYYLYNYRLKSALKPAELGLVLL,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)CC[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)CC[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)CC[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)CN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCCCC(O)=NCC(O)=NC(CO)C(O)=NC(CO)C(O)=NC(CCCCN)C(O)=NC(CO)C(O)=NC(CCCCN)C(=O)N1CCCC1C(O)=NC(CCCCN)C(O)=NC(CC(=O)O)C(=O)N1CCCC1C(O)=NC(CO)C(O)=NC(CCC(=N)O)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.6307841425898572,,,s_f1bbb41c6878341f3c7cf81c,test
catpreddb_kcat_kcat_acc2fc5a520440,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[H+]>>,public_strict_iteration1_fulltrue_msa,-0.744727494896694,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_acd01fe167b5d0,catpred_iteration1_kcat,kcat,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(/C=C/C=O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],COc1cc(/C=C/C=O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],COc1cc(/C=C/C=O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>COc1cc(/C=C/CO)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.478999131673357,,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_kcat_kcat_ad04a25d629cc7,catpred_iteration1_kcat,kcat,P9WQB5,P9WQB5,MSIEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRGRGFLEGRYDDLRPGLRMNIIANPGIPKANFELWSFAVSAINGCSHCLVAHEHTLRTVGVDREAIFEALKAAAIVSGVAQALATIEALSPS,C=C1[C@H]2C[C@@H](C[C@H]1OO)C2(C)C,C=C1[C@H]2C[C@@H](C[C@H]1OO)C2(C)C,C=C1[C@H]2C[C@@H](C[C@H]1OO)C2(C)C>>C=C1[C@H](O)C[C@@H]2C[C@H]1C2(C)C.O,public_strict_iteration1_fulltrue_msa,-1.8860566476931635,-0.8239087409443188,,s_a7bfba343bd56c4b51ed01f6,test
catpreddb_kcat_kcat_ad09755bef77bb,catpred_iteration1_kcat,kcat,P00175,P00175,MLKYKPLLKISKNCEAAILRASKTRLNTIRAYGSTVPKSKSFEQDSRKRTQSWTALRVGAILAATSSVAYLNWHNGQIDNEPKLDMNKQKISPAEVAKHNKPDDCWVVINGYVYDLTRFLPNHPGGQDVIKFNAGKDVTAIFEPLHAPNVIDKYIAPEKKLGPLQGSMPPELVCPPYAPGETKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSGANDEVTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATALCKLGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQIQWYQLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKFSNTKAGPKAMKKTNVEESQGASRALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIGVSGVVLSNHGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRRGTDVLKALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRLLGVTSIAELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFEDA,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(C)=O)C(CCC(C)=O)=C4C)c(C)c3C=C.C[C@H](O)C(=O)O.[Fe+3],C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(C)=O)C(CCC(C)=O)=C4C)c(C)c3C=C.C[C@H](O)C(=O)O.[Fe+3],C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(C)=O)C(CCC(C)=O)=C4C)c(C)c3C=C.C[C@H](O)C(=O)O.[Fe+3]>>C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(C)=O)C(CCC(C)=O)=C4C)c(C)c3C=C.CC(=O)C(=O)O.[Fe+2].[H+],public_strict_iteration1_fulltrue_msa,2.5705429398818973,,,s_5872b9939ee3ecd548482387,test
catpreddb_kcat_kcat_ad0e88dba8eb25,catpred_iteration1_kcat,kcat,A0A0G2T690,A0A0G2T690,MVSSLPPIIAGAAIYRLVSSKTLPDLTSAFFELEIPDQISLLSLLFASVFSAVSISGFIAPPGHNDDDDEDEHKPPFQYPLKEIASKTTDKEKFLSVYPCLRDSIAEYFATKHEMVPEGVNWITEMIDYSCVGGKMNRGITVLTVARTLSGSSGLTPREEARASVVGWGIEFLQAFFLVADDLMDDSKTRRGQPCWYLLPKVGTIAVNDSFLLESFVFTFLKEHFGKEPYYIKLVELFLETIQQTECGQLLDLTSQPKDAKTADLSRFTIERYRKIVKYKTAFYSFYLPVASAMLMSGVTNSKSFKTARNICCIMGEYFQIQDDVLDCYGTPEVIGKVGTDIQDNKCSWLIVQALDRATPEQRKVIEENYGKWDDAKVAKIKAIYNEMGLKSVFEKYEEDSYAEIQEELKKINDIPQEVFTLFLDKIYKRSK,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.CC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.CC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.CC(C)=CCOP(=O)(O)OP(=O)(O)O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.6384892569546374,,,s_e69bdfd6698e15450ce39b87,test
catpreddb_kcat_kcat_ad108a0050a73a,catpred_iteration1_kcat,kcat,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,O.O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1,O.O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1,O.O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1>>O=C(O)[C@@H]1CCCN1.OCC1CCCN1,public_strict_iteration1_fulltrue_msa,1.6998377258672457,,,s_668310886d09794f507cf2a6,test
catpreddb_kcat_kcat_ad193abc0992d2,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.8382192219076257,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_ad4a23dcf020aa,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCC1CCCC(=O)O1.O,CCCCCCC1CCCC(=O)O1.O,CCCCCCC1CCCC(=O)O1.O>>CCCCCCC(O)CCCC(=O)O,public_strict_iteration1_fulltrue_msa,1.246744709723841,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_ad5b8466fc828c,catpred_iteration1_kcat,kcat,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O.O=C(O)/C=C(/CCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCC(=O)O)C(=O)O>>O=C([O-])CC[C@H](C(=O)O)[C@@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.1249387366082999,,,s_d45e89fa98a913150cf54b5f,test
catpreddb_kcat_kcat_ad61cd43646856,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CC/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCCCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_ad73a722025ab5,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OCC1(O)OCC(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OCC1(O)OCC(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OCC1(O)OCC(O)C1O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,0.5563025007672873,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_ada682eaa1780f,catpred_iteration1_kcat,kcat,B0VH76,B0VH76,MAEKLKLARSMSLFEEAKQLVPGGVAGIRRPYNFVPGEYPIFFDHGKGGRVVDVDGNEYIDFLCAYGPIIIGYREDEIDDAVINQIKNKGFCFSLTQEMQNTLVKKLRELIPCCEMAALVKTGSDATTIAIRVARGYTGKTKIARYGYHGWHDWCVEVKGGIPPKLYEDIYEFHYNDLDSLKAILEANKDDMAGIIITPIGHPNGAEVQMPKPGYLEAVRELANQYHCLLIFDEIRSGFRCSLGGAQKLFGVTPDLSTFGKAMANGYAIAALVGKEEYMQVLADKVFLSSTFFPNSDGIVAAIKTIEILERDRILDVVAAKGRKFGAEVEKVVEESGVPVNFTGAPWMPYITFKKDEAGLYKKLRTEYYTQLIRHNVFMQPYHHGYICYRHTDEDLAYTVEAIRESLAEVKKML,C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C(O)CCC(=O)C(=O)O,C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C(O)CCC(=O)C(=O)O,C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C(O)CCC(=O)C(=O)O>>CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.255272505103306,,,s_cb5f03968ec2a3ea41ee648c,test
catpreddb_kcat_kcat_add247c4cdc8f7,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,C=CC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C=CC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C=CC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCC(C)=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.7772835288524167,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_ade288b3c43be6,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,public_strict_iteration1_fulltrue_msa,-1.2676062401770316,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_adf55783199278,catpred_iteration1_kcat,kcat,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.5276299008713388,,,s_6a41f9ca86cba24130c89784,test
catpreddb_kcat_kcat_adfda6c5a0ea02,catpred_iteration1_kcat,kcat,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,COC1OC(CO)C(O)C(O)C1O.O,COC1OC(CO)C(O)C(O)C1O.O,COC1OC(CO)C(O)C(O)C1O.O>>CO.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.0457574905606752,,,s_05faba509306d0ae6d9f3eea,test
catpreddb_kcat_kcat_ae436a5ace9932,catpred_iteration1_kcat,kcat,Q96UT7,Q96UT7,MSRFHSLFAFVVASLTAVAHAGIGPVADLTITNAAVSPDGFSRQAVVVNGGTPGPLITGNMGDRFQLNVIDNLTNHTMLKSTSIHWHGFFQKGTNWADGPAFINQCPISSGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPAADLYDVDNDDTVITLVDWYHVAAKLGPAFPLGADATLINGKGRSPSTTTADLSVISVTPGKRYRFRLVSLSCDPNYTFSIDGHNMTIIETDSINTAPLVVDSIQIFAAQRYSFVLEANQAVDNYWIRANPNFGNVGFTGGINSAILRYDGAAAVEPTTTQTTSTAPLNEVNLHPLVATAVPGSPVAGGVDLAINMAFNFNGTNFFINGASFTPPTVPVLLQIISGAQNAQDLLPSGSVYSLPSNADIEISFPATAAAPGAPHPFHLHGHAFAVVRSAGSTVYNYDNPIFRDVVSTGTPAAGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVFAEDIPDVASANPVPQAWSDLCPTYDARDPSDQ,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O,COc1cccc(OC)c1O.O=O>>COC1=CC(=C2C=C(OC)C(=O)C(OC)=C2)C=C(OC)C1=O.O,public_strict_iteration1_fulltrue_msa,-0.2924298239020636,,,s_270cd71f8368b1336b9b25f1,test
catpreddb_kcat_kcat_ae6f1379ccce60,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1C=CC=C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,-1.3467874862246565,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_ae7260b6eda7b4,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-0.8860566476931633,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_ae80c1b245c17e,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-].O>>,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_ae8a84eae3c380,catpred_iteration1_kcat,kcat,P9WQB5,P9WQB5,MSIEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRGRGFLEGRYDDLRPGLRMNIIANPGIPKANFELWSFAVSAINGCSHCLVAHEHTLRTVGVDREAIFEALKAAAIVSGVAQALATIEALSPS,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(OO)=CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(OO)=CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(OO)=CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)=CC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O,public_strict_iteration1_fulltrue_msa,-0.7495799976911061,-0.8794260687941501,,s_a7bfba343bd56c4b51ed01f6,test
catpreddb_kcat_kcat_ae992612b575f2,catpred_iteration1_kcat,kcat,O41094,O41094,MFNDRVIVKKSPLGGYGVFARKSFEKGELVEECLCIVRHNDDWGTALEDYLFSRKNMSAMALGFGAIFNHSKDPNARHELTAGLKRMRIFTIKPIAIGEEITISYGDDYWLSRPRLTQN,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OCc1ccccc1,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OCc1ccccc1,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,-2.6989700043360187,-1.0655015487564323,,s_0f3d4161b68a6739a5190742,test
catpreddb_kcat_kcat_aea9cbf743c26e,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-1.1444808443322,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_aed9559c9254c1,catpred_iteration1_kcat,kcat,Q81ST8,Q81ST8,MSGLHILAFGAHADDVEIGMAGTIAKYTKQGYEVGICDLTEADLSSNGTIELRKEEAKAAARIMGVKTRLNLAMPDRGLYMKEEYIREIVKVIRTYKPKLVFAPYYEDRHPDHANCAKLVEEAIFSAGIRKYMPEVPPHRVESFYHYMINGFHKPNFCIDISEYVSQKVEALEAYESQFSTGSDGVKTPLTEGYVETVVAREKMFGKEVGVLYAEGFMSKKPVLLHADLIGGCK,N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O.O,N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O.O,N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O.O>>NC(CS)C(=O)O.N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C(O)CC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,-3.154901959985743,,,s_bd9cd0da3bac4689a91c75df,test
catpreddb_kcat_kcat_aee1f1d2a26da4,catpred_iteration1_kcat,kcat,N0DP12,N0DP12,MARIGIHSFVWSASSAQSELERTLANTRDAGFDLIEFSYLDPADVDIGRLAKRIADLGLGVAISIGLPADGDISSADKAVAARGVEILNQTIALTRDLGGRKVAGILSAGHGLQVEAPTRDQWNRSAAALAKVAETAKAAGVTLNLEIVNRFESNLLNTAAQGLAFIEDTGSDNIFLHLDTFHMNIEEADVGLAIRHAAGKIGYVHIGESHRGFLGTGNIDFAAIFDALTAIGYADDLSFESFSSEIVDENLSKKTAIWRNLWTDNMALAKHARAFIGLGLETARRKAELVSARHKP,OCC1(O)OC[C@H](O)[C@H]1O,OCC1(O)OC[C@H](O)[C@H]1O,OCC1(O)OC[C@H](O)[C@H]1O>>OCC1(O)OC[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,2.361727836017593,,s_00e3b0bef8c1907ff732396c,test
catpreddb_kcat_kcat_af07522c9b92d3,catpred_iteration1_kcat,kcat,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,CCCC=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCC=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCCC=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CCCCCC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.0681858617461616,,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_kcat_kcat_af1ec05493c842,catpred_iteration1_kcat,kcat,Q7SI97,Q7SI97,MAPKAKIVLVGSGMIGGVMATLIVQKNLGDVVMFDIVKNMPHGKALDTSHTNVMAYSNCKVSGSNTYDDLKDADVVIVTAGFTKAPGKSDKEWNRDDLLPLNNKIMIEIGGHIKNNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIVGLGGVLDTSRLKYYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVGGIPLQEFINNKKITDQELDAIFDRTINTALEIVNLHASPYVAPAAAIIEMAESYIRDLRKVLICSTLLEGQYGHKDIFAGTPLVIGGNGVEQVIELQLNADEKKKFDEAVAETSRMKALI,CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.0253058652647704,,,s_cdd51448777a436db21c296b,test
catpreddb_kcat_kcat_af2357877f809f,catpred_iteration1_kcat,kcat,Q10SX6,Q10SX6,MARGVSYVSAAQLVPMLRDPRIAVVDVRDEERIYDAHIAGSHHYASDSFGERLPELAQATKGKETLVFHCALSKVRGPSCAQMYLDYLSEADEDSDVKNIMVLERGFNGWELSGRPVCRCKDAPCKGVCS,O=[As]([O-])([O-])[O-].c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,O=[As]([O-])([O-])[O-].c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,O=[As]([O-])([O-])[O-].c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1>>O[As](O)O.c1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccccc4)cc3)cc2)cc1,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,,,s_9378482e2518ffcd1f779199,test
catpreddb_kcat_kcat_af7a4f62d5f4ae,catpred_iteration1_kcat,kcat,Q9KQ59,Q9KQ59,MFKSQTAILPEAGPFALYTLLKVRQNHAHVLQALKALPALVEEINQNQPGAELTVSVAFSKGFWSHFEMASPPELIDFPELGEGETHAPSTDVDVLIHCHATRHDLLFYTLRKGISDIAQDIEIVDETYGFRYLDARDMTGFIDGTENPKAEKRAEVALVADGDFAGGSYVMVQRFVHNLPAWNRLNLAAQEKVIGRTKPDSVELENVPAASHVGRVDIKEEGKGLKIVRHSLPYGSVSGDHGLLFIAYCHTLHNFKTMLESMYGVTDGKTDQLLRFTKAVTGAYFFAPSQVMLQELTLKNQ,Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.OO.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.OO.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.OO.[Na+].[Na+]>>O,public_strict_iteration1_fulltrue_msa,0.1139433523068367,,,s_3cbca65e461c0a174ffca49a,test
catpreddb_kcat_kcat_afa50c731a1fa3,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)O.[H+],public_strict_iteration1_fulltrue_msa,-1.2218487496163564,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_afac5eaa5663da,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.2041199826559248,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_afcefc347a6e20,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1COC(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1OCC(O)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,1.6434526764861874,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_afed13c139053a,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)c3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)c3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)c3ccccc3)ccc12.O>>Cc1cc(=O)oc2cc(N)ccc12.N=C(N)NCCC[C@H](N=C(O)c1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.2006594505464183,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_aff1a257e4c690,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCC/C=C/C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCC/C=C/C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCC/C=C/C(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCCCCCCC(C)=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.6777807052660807,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_b00a4937b65d79,catpred_iteration1_kcat,kcat,Q8DK72,Q8DK72,MIIVHLCGGLGNQMFQYAAGLAAAHRIGSEVKFDTHWFDATCLHQGLELRRVFGLELPEPSSKDLRKVLGACVHPAVRRLLAGHFLHGLRPKSLVIQPHFHYWTGFEHLPDNVYLEGYWQSERYFSNIADIIRQQFRFVEPLDPHNAALMDEMQSGVSVSLHIRRGDYFNNPQMRRVHGVDLSEYYPAAVATMIEKTNAERFYVFSDDPQWVLEHLKLPVSYTVVDHNRGAASYRDMQLMSACRHHIIANSTFSWWGAWLNPRPDKVVIAPRHWFNVDVFDTRDLYCPGWIVL,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O>>CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O.N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,public_strict_iteration1_fulltrue_msa,-0.3160528692484878,,,s_746ed7a5cb689ce9f0683f3c,test
catpreddb_kcat_kcat_b0306cf2c5cc73,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.146128035678238,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_b03376c9269752,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,N=C(N)NCCC[C@H](N=C(O)CCC(=O)O)C(=O)O,N=C(N)NCCC[C@H](N=C(O)CCC(=O)O)C(=O)O,N=C(N)NCCC[C@H](N=C(O)CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,1.8512583487190752,-0.3010299956639812,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_b0380b69fd1de6,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,CCC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,CCC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,CCC=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O>>CCC(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,0.3159703454569177,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_b039041b0d3df8,catpred_iteration1_kcat,kcat,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CCC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.5224442335063195,,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_kcat_kcat_b05f8729e3af28,catpred_iteration1_kcat,kcat,Q485S0,Q485S0,MTKNIAQAAVKFEQWQPKIEQESYLTINSLECHTGGEPLRIITSGFPVLKGNTILAKANDCKQNYDQLRRALMFEPRGHADMYGAIITDAERDDSHFGAVFIHNEGYSSMCGHAVIALTKTAVESGVVARTGDVTQVVIDVPCGQIYAMAYSHNNVVKHVSFQCVPSFVYAKDQQVEVDGIGMVQFDIAYGGAFYAYVQASSLGLSLVPEQQEKLIAYGRKIKQAIIPQFEINHPTTAELSFLYGVIFIDDSPNQDVHSRNVCIFADGELDRSPTGSGVSGRIALHHAKQQIVLNETITIESILASSFSVRAIETVCFAGFDAVIPEVTGDAYVCGKGQWFINAEDPLKYGFLLR,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=NCCC1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=NCCC1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1=NCCC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,2.095169351431755,,,s_eaed4ec956fe64c490e4e848,test
catpreddb_kcat_kcat_b065a19d610bae,catpred_iteration1_kcat,kcat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public_strict_iteration1_fulltrue_msa,2.0863598306747484,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_b0779e6f890035,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.6273658565927325,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_b080177e6b5a88,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,O=C(O)/C=C\C=C(\Cl)C(=O)O,O=C(O)/C=C\C=C(\Cl)C(=O)O,O=C(O)/C=C\C=C(\Cl)C(=O)O>>O=C(O)CC1C=C(Cl)C(=O)O1.O=C1C=CC(C(Cl)C(=O)O)O1,public_strict_iteration1_fulltrue_msa,3.008600171761917,-0.5376020021010439,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_b0a2e1ff59c6b9,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,-1.0793549985932125,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_b0a906663c502b,catpred_iteration1_kcat,kcat,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,C[C@H]1[C@H](N=C(O)/C(=N\OC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O.O,C[C@H]1[C@H](N=C(O)/C(=N\OC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O.O,C[C@H]1[C@H](N=C(O)/C(=N\OC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_48d0e57876a633501632a01a,test
catpreddb_kcat_kcat_b0b837ca16d943,catpred_iteration1_kcat,kcat,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.[H],public_strict_iteration1_fulltrue_msa,2.05307844348342,,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_kcat_kcat_b0db1d31871b5f,catpred_iteration1_kcat,kcat,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O>>Cc1cnc(O)nc1O.O=P(O)(O)OC1C=C[C@@H](CO)O1,public_strict_iteration1_fulltrue_msa,-0.3979400086720376,,,s_3be5357697ef18007ae0960b,test
catpreddb_kcat_kcat_b0ea68be4de868,catpred_iteration1_kcat,kcat,Q5HQ78,Q5HQ78,MITMKDIIRDGHPTLREKAKELSFPLSNNDKETLRAMREFLINSQDEETAKRYGLRSGVGLAAPQINEPKRMIAVYLPDDGNGKSYDYMLVNPKIMSYSVQEAYLPTGEGCLSVDENIPGLVHRHHRVTIKAQDIDGNDVKLRLKGYPAIVFQHEIDHLNGIMFYDYIDANEPLKPHEEAVEV,CSCC[C@H](N=CO)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(=O)O.O,CSCC[C@H](N=CO)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(=O)O.O,CSCC[C@H](N=CO)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(=O)O.O>>CSCC[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(=O)O.O=CO,public_strict_iteration1_fulltrue_msa,2.146128035678238,,,s_81d4dc40eccffb79aed7af8c,test
catpreddb_kcat_kcat_b1142ec01a3ea5,catpred_iteration1_kcat,kcat,Q9LDD5,Q9LDD5,MAEAIGAVSLVGHRPSIVRITVKNELKTQKSQSIVRFPVKVDYSAKGVLSHLMTQSVKKNRMSVFPIRALAMELTKEKKKDDRLPKTWNYLDSGADDKPSLWPPENKADKPSLHNPLLRQERMGCGWLGAIFEWEGVLIEDNPDLDNQSWLTLAQEEGKSPPPAFMLRRVEGMKNEQAISEVLCWSRDPVQVRRMAKRKEEIFKALHGGVYRLRDGSQEFVNVLMNNKIPMALVSTRPRETLENAVGSIGIRKFFSVIVASEDVYRGKPDPEMFIYAAQLLDFIPERCIVFGNSNQTIEAAHDGRMKCVAVASKHPIYELGAAELVVRRLDELSIIDLKKLADTDLTEFEPELEMEKEDERELPSSAVAVDDF,Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O,Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O,Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O>>Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.8860566476931633,,,s_f7d1923e6ba1b67c803d1acb,test
catpreddb_kcat_kcat_b11d93f90f01d2,catpred_iteration1_kcat,kcat,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CSCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CSCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CSCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>,public_strict_iteration1_fulltrue_msa,1.130333768495006,,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_kcat_kcat_b1591ab2d6357b,catpred_iteration1_kcat,kcat,Q9NG18,Q9NG18,MALTLAAHKTLPRRKLVLVVLDGVGIGPRDEYDAVHVAKTPLMDALFNDPKHFRSICAHGTAVGLPTDADMGNSEVGHNALGAGRVVLQGASLVDDALESGEIFTSEGYRYLHGAFSQPGRTLHLIGLLSDGGVHSRDNQVYQILKHAGANGAKRIRVHALYDGRDVPDKTSFKFTDELEEVLAKLREGGCDARIASGGGRMFVTMDRYEADWSIVERGWRAQVLGEGRAFKSAREALTKFREEDANISDQYYPPFVIAGDDGRPIGTIEDGDAVLCFNFRGDRVIEMSRAFEEEEFDKFNRVRLPKVRYAGMMRYDGDLGIPNNFLVPPPKLTRTSEEYLIGSGCNIFALSETQKFGHVTYFWNGNRSGKLSEERETFCEIPSDRVQFNQKPLMKSKEITDAAVDAIKSGKYDMIRINYPNGDMVGHTGDLKATITSLEAVDQSLQRLKEAVDSVNGVFLITADHGNSDDMVQRDKKGKPVRDAEGNLMPLTSHTLAPVLFLSEALVLIPVCKCGQTFRVRPCNVTATFINLMGFEAPSDYEPSLIEVA,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>O=C(O)[C@@H](CO)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,3.508664363052943,-0.82585192216456,,s_c2bacf4afa0b570d63fdae0d,test
catpreddb_kcat_kcat_b16904d9a449b4,catpred_iteration1_kcat,kcat,A0A5H2WXM2,A0A5H2WXM2,MGSLSLSSVGLTMVCAPVMGESVDQVVEEMHKAKAQGADVVEVRLDCIKQFQAHQDLEIILKSKPLPVIIVYRPKCEGGLYEGDETARLEALRSALKLGADYVDFELKVAAELMSKQNKLHCGGTKVIVSCFLDGVTPSKEELSNLATHMKATGADIIKIVTSASNITELAGLFHLLSYSQMPVVAYAVGERGLISQLLSPKFGSTLVYGSIEGMAVPGLPTLESLRKTYKVEHINSDTTVFGLISKPVGHSKGPILHNPTLRHMNFNGLYVPMFVDNLKEFFEVYSTPDFAGFSVGFPYKEAVIQFCDEVHPLAQTIGAVNTIVRRPSDGKLIGYNTDCEASVTAMEDALQECRCINGEKSLVSPLAGKEFVLVGAGGAGRALAFGAKTRGARIIIFDIDFERAKMLAHAVSGEARPFGDLPYFQPEKGSILANATPIGMHPNKDRIPVSEASLGVFQLVFDAVYTPRKTTLLKEAEAAGAITVSGVEMFLRQAIGQFNLFTGGEAPKEFMREIVLAKF,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O.[H+],public_strict_iteration1_fulltrue_msa,2.103803720955957,,,s_96f343a16d414342eb00f6c5,test
catpreddb_kcat_kcat_b17320bade3d9b,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NCCSSCCN.O,NCCSSCCN.O,NCCSSCCN.O>>CC=O.N,public_strict_iteration1_fulltrue_msa,1.146128035678238,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_b1986a8d1fcace,catpred_iteration1_kcat,kcat,Q73PV9,Q73PV9,MRPLVIILMGSSSDMGHAEKIASELKTFGIEYAIRIGSAHKTAEHVVSMLKEYEALDRPKLYITIAGRSNALSGFVDGFVKGATIACPPPSDSFAGADIYSSLRMPSGISPALVLEPKNAALLAARIFSLYDKEIADSVKSYMESNAQKIIEDDSKLKR,Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C=O,public_strict_iteration1_fulltrue_msa,1.812913356642856,-2.2329869469719323,,s_f1a464098ccf15d171c62caa,test
catpreddb_kcat_kcat_b19df7ce2c4db1,catpred_iteration1_kcat,kcat,B0V8W9,B0V8W9,MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKDIVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGHQHLVFEYLGHKFGVLICEDIWSINTVKQLSQLNVDTVLVLNSSPYEVGKPQHRKQTLSELAKQLHLNIVYVNQVGGQDDLIFDGTSFVSNQNGEIALQAPSFKEDLYIAEFDRDTKLYKVVESAPALETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAIGAERVQAVMMPYTYTSQISVEDAAEQARRMGVTFGIAEIHSIVNSFMQTLYPFFGNSPADATEENLQARARGTLLMGLSNKFGNLVLSTGNKSELSVGYCTLYGDMVGGFAVLKDVYKTIVFELAKYRNSLSETPVIPERVITRPPSAELRPDQKDQDSLPAYDVLDAILYAYIEEDLGQADIIAKGFDKEVVEKVIRLVDRNEYKRRQGAIGPRITSRAFSRERRYPIVNGWTAND,N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.2441251443275086,,,s_7c4a98d7ecd761e629472228,test
catpreddb_kcat_kcat_b1e019f8c9a7d8,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,-0.7695510786217261,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_b1e853d721c016,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1N1C(=O)CCC1=O)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.8239087409443188,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_b1e92cc72a2c5e,catpred_iteration1_kcat,kcat,Q9SCA0,Q9SCA0,MSAAAATMAGSLSSHTLSSREFSGGLQVSSTRVRKLQRGAFAPMRPLCAVDPGRKSQSPVAPLAAVPSSTSDAVTLVQAAETSTVDVVDFEKLASELERASPLEIMDKALEMFGNDIAIAFSGAEDVALIEYARLTGRPFRVFSLDTGRLNPETYRFFDEVEKRYNIRIEYMFPDAVEVQALVRSKGLFSFYEDGHQECCRVRKVRPLRRALRGLRAWITGQRKDQSPGTRASVPTVQVDPSFEGFEGGTGSLIKWNPVANVDGQDIWRFLRTMAVPVNSLHSQGYVSIGCEPCTRPVLPGQHEREGRWWWEDAKAKECGLHKGNIKQDESVPPSSNGNGTAPSDLFSVVSLSRPGMENLLRLESRKDSWLVVLYAPWCRFCQGMEESFNEVAGVLGGDSGVKVGKFRADGDARAFAEEIGLVSFPTILFFPKHASKPVKYPSEQRDVDSLLAFVNALR,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O>>NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=S(O)O,public_strict_iteration1_fulltrue_msa,1.7481880270062005,,,s_cbb6e44bf348f4fe8eaa545e,test
catpreddb_kcat_kcat_b220056654512d,catpred_iteration1_kcat,kcat,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,CCCCCCBr.O,CCCCCCBr.O,CCCCCCBr.O>>CCCCCCO.[Br-],public_strict_iteration1_fulltrue_msa,1.3729120029701067,,,s_e220e6dd4311615191e3744b,test
catpreddb_kcat_kcat_b227c62c9c8c5d,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)Cc1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_b243421b8d8a78,catpred_iteration1_kcat,kcat,Q8GMG0,Q8GMG0,MALTQVETEIVPVSVDGETLTVEAVRRVAEERATVDVPAESIAKAQKSREIFEGIAEQNIPIYGVTTGYGEMIYMQVDKSKEVELQTNLVRSHSAGVGPLFAEDEARAIVAARLNTLAKGHSAVRPIILERLAQYLNEGITPAIPEIGSLGASGDLAPLSHVASTLIGEGYVLRDGRPVETAQVLAERGIEPLELRFKEGLALINGTSGMTGLGSLVVGRALEQAQQAEIVTALLIEAVRGSTSPFLAEGHDIARPHEGQIDTAANMRALMRGSGLTVEHADLRRELQKDKEAGKDVQRSEIYLQKAYSLRAIPQVVGAVRDTLYHARHKLRIELNSANDNPLFFEGKEIFHGANFHGQPIAFAMDFVTIALTQLGVLAERQINRVLNRHLSYGLPEFLVSGDPGLHSGFAGAQYPATALVAENRTIGPASTQSVPSNGDNQDVVSMGLISARNARRVLSNNNKILAVEYLAAAQAVDISGRFDGLSPAAKATYEAVRRLVPTLGVDRYMADDIELVADALSRGEFLRAIARETDIQLR,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O>>N.O=C(O)C=Cc1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-2.0,-1.595557066320094,,s_ed7ffc280e1a91db2c848542,test
catpreddb_kcat_kcat_b2a4ed2206fe98,catpred_iteration1_kcat,kcat,D1C7Y4,D1C7Y4,MTERLTSPPATRVEPVTEVLHGHTIVDPYRWLEDDESPETRAWVDAQNAYTRRVLDASPSHARIRARLETLLSIGDISAPVMRGERAFFLRREGYENQPKLYLREGDSERVLLDPNQESAEGTTALDWWYPSPDGTLVAFGYSQDGDEESVLQVLDVARDTLLAERIDRTRFCSLAWLPDASGFYYTRYPQPGEVPPGEERYHRKVFFHRLGDDPAADPLVFGDGLPAEAQPHVRLSRDGRWLIVTVSHGWARADLYLHDRTRPEAGFIPVFVEEEALVEGFVHRGQLYLLTNLDAPRYRLLAVDPERPERQHWREIIAEPEEARIEQVVPVGDRLVVQTLVRATSRLTLHDLDGRPVSTLDLPGLGTVSGLNAESEGDRAFFRFESFTVPPTVFQCDTASGRITEWAAVEAPIDPAAYTTEQVWYRSADGTLVSMFIVARAGTPRDGSAPALLTGYGGFNISRTPLFDRRMFFWLEQGGVYALPNLRGGGEYGEEWHRAGMRERKQNVFDDFIAAAEYLIAEGYTRPERLAILGGSNGGLLVGAAMTQRPDLFRAVVCQVPLLDMLRYHRFLIARLWIPEYGSADDPEQFAYLYAYSPYHRVEDGTPYPAVLLTTATSDTRVAPLHARKMAARLQAATGSDLPVLLRVETAAGHGAGKPLGKQIAEQTDIWTFVCDQLGVTVA,O.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1,O.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1,O.O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1>>Nc1ccc([N+](=O)[O-])cc1.O=C(O)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1,public_strict_iteration1_fulltrue_msa,1.7781512503836436,,,s_6acae0c283175e15d0d1aa56,test
catpreddb_kcat_kcat_b30c8795bdd13d,catpred_iteration1_kcat,kcat,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,COc1cc(C=O)cc(OC)c1.COc1cc(C=O)cc(OC)c1,COc1cc(C=O)cc(OC)c1.COc1cc(C=O)cc(OC)c1,COc1cc(C=O)cc(OC)c1.COc1cc(C=O)cc(OC)c1>>COc1cc(OC)cc(C(=O)[C@H](O)c2cc(OC)cc(OC)c2)c1,public_strict_iteration1_fulltrue_msa,1.664171705361931,,,s_1f8beb386de84deb2f180511,test
catpreddb_kcat_kcat_b333f9e22ad3b8,catpred_iteration1_kcat,kcat,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1.O>>,public_strict_iteration1_fulltrue_msa,1.7853298350107671,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_b334648b179839,catpred_iteration1_kcat,kcat,O50215,O50215,MTLKKDMAVDIDSTNFRQAVALFATGIAVLSAETEEGDVHGMTVNSFTSISLDPPTVMVSLKSGRMHELLTQGGRFGVSLLGESQKVFSAFFSKRAMDDTPPPAFTIQAGLPTLQGAMAWFECEVESTVQVHDHTLFIARVSACGTPEANTPQPLLFFASRYHGNPLPLN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc2c(cc1C)N(CC(O)C(O)C(O)CO)C1=NC(=O)NC(=O)C1N2.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.7781512503836436,,,s_b28907c2bd04d1cb9aa313a2,test
catpreddb_kcat_kcat_b339512f579ba7,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+]>>,public_strict_iteration1_fulltrue_msa,-0.2757241303992109,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_b36037708fdbce,catpred_iteration1_kcat,kcat,A0A1D8EJG8,A0A1D8EJG8,MKSTVASALLVLAGTAVQAQSGPWQQCGGIGWQGPFTCVSGHTCQVLNDWYHQCVPGGGPSPPPTSPPPTTPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPSSGSCPSTPGGLGSGNQRLPDPFTFHNGNTVTSAADFQCRQREVSSLIQQYELGQFPAPPQSVTSSYSGNTLSITVSDQGRSISFSVSISGGSGSKSPAIIAYGAPSIPVPNGVATIRFNNDDIAAQQSGSSRGQGKFYNLYGSGHSAGAMTAWAWGVARIIDALEKTPAAGIDPTRVGVTGCSRNGKGAMVAGALEPRIALTIPQESGSGGSACWRISNWQGQQGQNVQTPAQIITENVWLGPVFNNHANNVNALPFDHHQLAGLIAPRALYVIENSDMEWLGWTATYGCMAAARTQWEALGALDNFGFSQVGGNQHCSFNSGKQSAELNAFINKFLLQSGGGTTSILRTERNHGSFNLAEWTPWNVPNLR,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O.O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O>>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.OCc1ccccc1,public_strict_iteration1_fulltrue_msa,-0.1023729087095585,,,s_14c73ee61fa57956bf09c3d5,test
catpreddb_kcat_kcat_b3878278d0895b,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_b38fc11eaa4d8f,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.1426675035687315,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_b397cb272b421b,catpred_iteration1_kcat,kcat,P00376,P00376,MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN,CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-0.1611509092627447,,,s_5782e3570fd8e47d095ef392,test
catpreddb_kcat_kcat_b3a8b599e6debc,catpred_iteration1_kcat,kcat,Q8NCG5,Q8NCG5,MLLPKKMKLLLFLVSQMAILALFFHMYSHNISSLSMKAQPERMHVLVLSSWRSGSSFVGQLFGQHPDVFYLMEPAWHVWMTFKQSTAWMLHMAVRDLIRAVFLCDMSVFDAYMEPGPRRQSSLFQWENSRALCSAPACDIIPQDEIIPRAHCRLLCSQQPFEVVEKACRSYSHVVLKEVRFFNLQSLYPLLKDPSLNLHIVHLVRDPRAVFRSRERTKGDLMIDSRIVMGQHEQKLKKEDQPYYVMQVICQSQLEIYKTIQSLPKALQERYLLVRYEDLARAPVAQTSRMYEFVGLEFLPHLQTWVHNITRGKGMGDHAFHTNARDALNVSQAWRWSLPYEKVSRLQKACGDAMNLLGYRHVRSEQEQRNLLLDLLSTWTVPEQIH,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O,public_strict_iteration1_fulltrue_msa,1.2405492482825995,-3.3279021420642825,,s_f1420963c867759bf1baa233,test
catpreddb_kcat_kcat_b3a98d48baa001,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-1.585026652029182,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_b3b7f582f24a34,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.9479236198317265,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_b3bff2ca6aec43,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O.O=P(O)(O)Oc1ccccc1,O.O=P(O)(O)Oc1ccccc1,O.O=P(O)(O)Oc1ccccc1>>O=P(O)(O)O.Oc1ccccc1,public_strict_iteration1_fulltrue_msa,1.792391689498254,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_b3e2137ea41f53,catpred_iteration1_kcat,kcat,Q9NY33,Q9NY33,MADTQYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQTSPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSNMGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMFSLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFKEVDGEGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYAPILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQDKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQLLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHELLGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTIASSYEECRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDARVRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPPECFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSERFPEDGPELEEILTQLATADARFWKGPSEAPSGQA,N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=Nc1ccc2ccccc2c1.O,N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=Nc1ccc2ccccc2c1.O,N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=Nc1ccc2ccccc2c1.O>>N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.549003262025788,,,s_7dedd52b4f229d3044bbbe67,test
catpreddb_kcat_kcat_b3ed071a3e89e8,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@H](O)[C@H](O)COP(=O)(O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_b406b10c869568,catpred_iteration1_kcat,kcat,Q1J0Z5,Q1J0Z5,MTQTSTSEWYKSAVFYELSVRTYADGNGDGKGDFPGLTGKLDYLKNLGVDCLWLLPFYPSPLRDDGYDVADYTDIHPDLGTLDDFKVFLREAHVRGLRVIGDLVTNHTSSDHPWFQAARRGPTLPDGSPNEYFDYYVWSDTGTEYADARIIFTDTETSNWTFDEMAGKYYWHRFFSSQPDLNYDNPRVQEELLNVLRFWLDLGLDGFRVDAVPYLIEREGTNCENLPETHAILQKLRRVVDEEYPGRLLLAEANQWPEEVVEYFGTETHPEFHMCFNFPVMPRLFMSLKREDTTSIREIMARLPKLPSFGQWATFLRNHDELTLEMVTEDERAFMYAAYAPDARMKINVGIRRRLAPLLDNDRRRIELLTTVLLALPGSPILYYGDEIGMGDNLSLADRNGVRTPMQWNAGISGGFSTALPEQCFYPPISDPVYGYQRVNVNSQEQDPSSLLKWVSRQLEVRRAHPAFAHGDLTFIETNNPAVLAFTRRYDNEVLLIVSNFAGNAQAVELDLFAYRGCVPVTLAGGSHFPPVGDRGLYPLTLGKYDYYWLKLSGVR,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.5037906830571812,2.404833716619938,,s_d21cb29517250516b1a80044,test
catpreddb_kcat_kcat_b41b7655822211,catpred_iteration1_kcat,kcat,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)CO.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@H](O)CO,public_strict_iteration1_fulltrue_msa,0.9590413923210936,,,s_948648651b98b58a650dd2ca,test
catpreddb_kcat_kcat_b4429958226cc9,catpred_iteration1_kcat,kcat,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,COc1cc(/C=C/C=O)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,COc1cc(/C=C/C=O)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,COc1cc(/C=C/C=O)ccc1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>COc1cc(CCC=O)ccc1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.9281179926938746,,,s_08cbf502c176a7783bac2948,test
catpreddb_kcat_kcat_b44518408a35a5,catpred_iteration1_kcat,kcat,A8NU13,A8NU13,MRPTARQFTLPDLFSICPLQDATNPWYKQAAAESRAWINSYNIFTDRKRAFFIQGSNELLCSHVYAYAGYEQFRTCCDFVNLLFVVDEISDDQNGQDARATGRIFVNAMRDAHWDDGSILAKITHEFRERFVRLAGPKTVRRFADLCESYTDCVAREAELRERNQVLGLNDFIALRRQNSAVLLCYSLVEYILGIDLDDEVYEDPTFAKAYWAACDFVCWANDVYSYDMEQAKGHTGNNVVTVLMKEKDLSLQEASDYIGRECEKQMRDYLEAKSQLLQSTDLPQEAVRYIEALGYWMVGNLVWSFESQRYFGAQHERVKATHVVHLRPSSVLEASCDSDSDSDC,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.O,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.O,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.O>>CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC[C@](C)(O)[C@@H]2[C@@H]13.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.9208187539523751,,,s_32294fc987518b3d6e4d1e15,test
catpreddb_kcat_kcat_b472fba21e6c72,catpred_iteration1_kcat,kcat,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.5996647787884168,,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_kcat_kcat_b487c7722562f1,catpred_iteration1_kcat,kcat,G0R7E2,G0R7E2,MDTSKLKPNDPRVKYETKQIRGKTYSYILGEPQGPKLETVVLVHGWPDMAFGWRHQIPYLMSLGFQVVAPNMLGYAGTDAPRDLSQFTLKSVSADIAELARSFVGQDGQIVLGGHDWGGAVVWRTAYYHPELVKAVFSVCTPLHPLSAEYKPLEDIVAAGHMLNFKYQLQLKGPDVEARIQGKDMLRRFFRAMFGGRGPNGEAGFSTSDGVHFDVLDKIGAPPLLDEQELEYYVEQYALQEAPELRGPLNWYRTRELNAKDEMDRAKNGPPLRFEMPALFVAASKDNALPPAMSKGMDAFYKDLTRAEVDATHWALTQAGDEVNRVIGEWLNKALNGATKAAL,O.c1ccc([C@H]2CO2)cc1,O.c1ccc([C@H]2CO2)cc1,O.c1ccc([C@H]2CO2)cc1>>OC[C@@H](O)c1ccccc1,public_strict_iteration1_fulltrue_msa,2.423245873936808,,,s_1ddb69fcb42811b1fde61373,test
catpreddb_kcat_kcat_b492170f60098d,catpred_iteration1_kcat,kcat,P0A725,P0A725,MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFPADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEIPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYNGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYLQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCGHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDDAELPLAFKAPSAVLA,CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O.O,CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O.O,CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O.O>>CC(=O)O.CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C1O,public_strict_iteration1_fulltrue_msa,0.5185139398778875,,,s_0964b8ab750f4f675886036e,test
catpreddb_kcat_kcat_b4e25b796a55ed,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,C=COC(=O)CCC.O,C=COC(=O)CCC.O,C=COC(=O)CCC.O>>*CC(*)O.CCCC(=O)O,public_strict_iteration1_fulltrue_msa,2.322219294733919,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_b52f396036f354,catpred_iteration1_kcat,kcat,Q8TZP8,Q8TZP8,MYKLVSFRDSEIFGRVAEVEFSLIREGSYAYLLGDFNAFNEGSFRMEQEGKNWKIKIALPEGVWHYAFSIDGKFVLDPDNPERRVYTRKGYKFHREVNVARIVKSDDLVFHTPSLLYLYEIFGRVHVLLRTQKGVIKGATFLGEKHVPMRKKASDELFDYFEVIVEGGDKRLNYSFEVLTMEGAKFEYGQFKARPFSIEFPTWVIDRVFYQIMPDKFARSRKIQGIAYPKDKYWGGDLIGIKEKIDHLVNLGINAIYLTPIFSSLTYHGYDIVDYFHVARRLGGDRAFVDLLSELKRFDIKVILDGVFHHTSFFHPYFQDVVRKGENSSFKNFYRIIKFPVVSKEFLQILHSKSSWEEKYKKIKSLGWNYESFFSVWIMPRLNHDNPKVREFIKNVILFWTNKGVDGFRMDVAHGVPPEVWKEVREALPKEKYLIGEVMDDARLWLFDKFHGVMNYRLYDAILRFFGYEEITAEEFLNELELLSSYYGPAEYLMYNFLDNHDVERFLDIVGDKRKYVCALVFLMTYKGIPSLFYGDEIGLRGINLQGMESSRAPMLWNEEEWDQRILEITKTLVKIRKNNKALLFGNFVPVKFKRKFMVYKREHMGERTIVAINYSNSRVKELGITIPEYSGVIINEDKVKLIKY,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,O.OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.582063362911709,,,s_6d000328ec0ae6533b01c053,test
catpreddb_kcat_kcat_b54467992d9a7d,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.OO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.OO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.OO.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,5.556302500767288,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_b54de2cc687e31,catpred_iteration1_kcat,kcat,G4NAP4,G4NAP4,MRVLVWIAGLAPLAVAVPSSSYRVAVAARADNTSASVAPSQNVSGAAPPELVVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPTEDALPFQVDRATVKQLTKTSLKALHAAGRLFVADHSYQRNYTRLANRYSAACTALFYLDPRSNQFLPLAIKTNVGADLTYTPLDTDNNNWLLAKIMFNNNDLFHGQIFHVAYPHAIAEIVHLAALRTMSARHPVLALMERLMYQAYAVRPLGERVLFNKGGLFEQNFAYPQDMVYKFVGDSYPTTGRWRAGYLDTDVRARGLVDADYGPELPHFPFYEDGSRLVEVIRRFVRSFVDATYHESDEMVAKDAELQAWVAEANGPAGVEDFEPGPLDTRERLVEVLTHMAWLTGCAHHVLNQGEPVTASGVLPMHPTALYAPVPTSKANTTADLLGYLPSAQKSVDQVTLLARFNRPDVVPTNQTLRYMFAAPQLLLGNGEAYRRANQRFVRAMGRISDEVKARRFDDRGLSQGMPFIWQALDPGNIPFYLSV,CCCCCC=CCC=CCCCCCCCC(=O)O.O=O,CCCCCC=CCC=CCCCCCCCC(=O)O.O=O,CCCCCC=CCC=CCCCCCCCC(=O)O.O=O>>CCCCC/C=C\C/C=C\CCCCCCC(OO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.4313637641589873,,,s_10729ae42944f3da11c01607,test
catpreddb_kcat_kcat_b572c95fbb63e1,catpred_iteration1_kcat,kcat,P97852,P97852,MASPLRFDGRVVLVTGAGGGLGRAYALAFAERGALVVVNDLGGDFKGVGKGSSAADKVVEEIRRRGGKAVANYDSVEAGEKLVKTALDTFGRIDVVVNNAGILRDRSFSRISDEDWDIIQRVHLRGSFQVTRAAWDHMKKQNYGRIIMTASASGIYGNFGQANYSAAKLGLLGLANTLVIEGRKNNIHCNTIAPNAGSRMTETVMPEDLVEALKPEYVAPLVLWLCHESCEENGGLFEVGAGWIGKLRWERTLGAIVRKRNQPMTPEAVRDNWVKICDFSNASKPKSIQESTGGIIEVLHKIDSEGISQNHTGQVASADASGFAGVVGHKLPSFSSSYTELQCIMYALGVGASVKNPKDLKFVYEGSADFSCLPTFGVIVAQKSLMSGGLAEVPGLSINFAKVLHGEQYLELYKPLPRSGELKCEAVIADILDKGSGIVIVMDVYSYSGKELICYNQFSVFVVGSGGFGGKRTSEKLKAAVAVPSRPPDAVLRDTTSLNQAALYRLSGDSNPLHIDPSFASIAGFEKPILHGLCTFGFSARHVLQQFADNDVSRFKAIKVRFAKPVYPGQTLQTEMWKEGNRIHFQTKVQETGDIVISNAYVDLVPTSGVSAQTPSEGGALQSALVFGEIGRRLKDVGREVVKKVNAVFEWHITKNGNVAAKWTIDLKNGSGEVYQGPAKGSADTTITISDEDFMEVVLGKLNPQNAFFSGRLKARGNIMLSQKLQMILKDYAKL,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CCCCCCC[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.414973347970818,,,s_9becf2a8fe0eaa406b93aa54,test
catpreddb_kcat_kcat_b57a7ba6af9008,catpred_iteration1_kcat,kcat,P00376,P00376,MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,public_strict_iteration1_fulltrue_msa,0.9493900066449128,,,s_5782e3570fd8e47d095ef392,test
catpreddb_kcat_kcat_b5852f04cf4d39,catpred_iteration1_kcat,kcat,P22734,P22734,MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS,CNCC(O)c1ccc(O)c(O)c1.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CNCC(O)c1ccc(O)c(O)c1.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CNCC(O)c1ccc(O)c(O)c1.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>CNCC(O)c1ccc(O)c(OC)c1.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.556302500767288,,,s_6090164565ad94333335d06f,test
catpreddb_kcat_kcat_b5d1d862b972e7,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.346352974450639,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_b5f4268e8e627f,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1>>O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.9055288713583552,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_b5f84c49b20c37,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1ccc(Cl)cc1,public_strict_iteration1_fulltrue_msa,-0.6020599913279624,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_b62dee1982f36f,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,-1.3665315444204136,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_b631e7d5d27563,catpred_iteration1_kcat,kcat,O66548,O66548,MKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_029fee419a480a1fbf8f2568,test
catpreddb_kcat_kcat_b64df0237b8c6c,catpred_iteration1_kcat,kcat,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.O=O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.O=O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O.O=O>>CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)OO,public_strict_iteration1_fulltrue_msa,0.5751878449276611,,,s_b8c0da372cb95f619176f62b,test
catpreddb_kcat_kcat_b677909530f810,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)CC(=O)O,public_strict_iteration1_fulltrue_msa,-1.1804560644581312,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_b6a66a1456b36a,catpred_iteration1_kcat,kcat,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.7520484478194386,,,s_172b558c15818a4aa109b980,test
catpreddb_kcat_kcat_b6aa78f8f98da3,catpred_iteration1_kcat,kcat,E3VWI3,E3VWI3,MTDLPRLPFDNPDIMGIAPQMLALQKEGPIARVGTAGEDAWLVTRYDEVRTLLADRRLRLSNPNPQPSAKSAARAFMVALMAGDDHETEPARHAQMRSLLIPRFSTRRLRLMKTRIEHHVDELLDQLAASAPPVDLHRVLSFRLPTMVVCDLLGVPLADRERFGQWARGTFDQSDNEHSANTFQQVVDYMLELVARKRVEPGDDILSELIAEKDGALSDADIAHLGNAVLLFGYETTIVRIDLGTLLLLRNPVQRAQLAEDPGLAPAAVEEILRLGVGGKGSNALIPRYAHGDITVGETVIRTGDAVMLAIGAANYDDRAFPDGGLFDLTRVRPRSHLAFGHGARHCIGRTLARIELTAVFERLFRRLPDLRLAVPEESLRWQEHRITGGFDEIPVTF,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CC1=C[C@@]23[C@H](C=C(C(=O)O)[C@@H]2COC(=O)[C@]32CO2)C1C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,0.9444826721501688,,,s_242c6df08496db817aacd13d,test
catpreddb_kcat_kcat_b6ad696c28a560,catpred_iteration1_kcat,kcat,Q9C7W7,Q9C7W7,MVGNILVTGGAGYIGSHTVLQLLLGGYNTVVIDNLDNSSLVSIQRVKDLAGDHGQNLTVHQVDLRDKPALEKVFSETKFDAVMHFAGLKAVGESVAKPLLYYNNNLIATITLLEVMAAHGCKKLVFSSSATVYGWPKEVPCTEESPLSGMSPYGRTKLFIEDICRDVQRGDPEWRIIMLRYFNPVGAHPSGRIGEDPCGTPNNLMPYVQQVVVGRLPNLKIYGTDYTTKDGTGVRDYIHVVDLADGHICALQKLDDTEIGCEVYNLGTGKGTTVLEMVDAFEKASGMKIPLVKVGRRPGDAETVYASTEKAERELNWKANFGIEEMCRDQWNWASNNPFGYGSSPNST,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,1.5314789170422551,-0.6382721639824072,,s_49464158cb91bbf7812b299a,test
catpreddb_kcat_kcat_b6c49491a00b83,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,1.5843312243675307,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_b6fd0219dba492,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O.O,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O.O,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O.O>>CC(=O)N1CCC[C@H]1C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)O.CCOC(=O)CN=C(O)[C@@H](N)CC(C)C,public_strict_iteration1_fulltrue_msa,0.7656685547590141,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_b70951109a598a,catpred_iteration1_kcat,kcat,Q9C7W7,Q9C7W7,MVGNILVTGGAGYIGSHTVLQLLLGGYNTVVIDNLDNSSLVSIQRVKDLAGDHGQNLTVHQVDLRDKPALEKVFSETKFDAVMHFAGLKAVGESVAKPLLYYNNNLIATITLLEVMAAHGCKKLVFSSSATVYGWPKEVPCTEESPLSGMSPYGRTKLFIEDICRDVQRGDPEWRIIMLRYFNPVGAHPSGRIGEDPCGTPNNLMPYVQQVVVGRLPNLKIYGTDYTTKDGTGVRDYIHVVDLADGHICALQKLDDTEIGCEVYNLGTGKGTTVLEMVDAFEKASGMKIPLVKVGRRPGDAETVYASTEKAERELNWKANFGIEEMCRDQWNWASNNPFGYGSSPNST,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@H](O)[C@H](O)C2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,-0.3767507096020995,,s_49464158cb91bbf7812b299a,test
catpreddb_kcat_kcat_b71753c6d20276,catpred_iteration1_kcat,kcat,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2>>,public_strict_iteration1_fulltrue_msa,-0.958607314841775,,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_kcat_kcat_b7375c6abbab60,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1CCc2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1CCc2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1CCc2ccccc21.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1CCc2ccccc21,public_strict_iteration1_fulltrue_msa,1.8195439355418688,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_b739f4a71f203a,catpred_iteration1_kcat,kcat,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1)C(=O)O.CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,2.060697840353612,,,s_9c1c54ef2ef457891b120064,test
catpreddb_kcat_kcat_b73d880f35ef92,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O>>Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.9395192526186184,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_b756193daa54cc,catpred_iteration1_kcat,kcat,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,CC(=O)C(C)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C(C)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.3222192947339193,,,s_451a9f71732397357584e474,test
catpreddb_kcat_kcat_b75929ecabf610,catpred_iteration1_kcat,kcat,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCCc1c[nH]c2ccccc12.O.O=O,NCCc1c[nH]c2ccccc12.O.O=O,NCCc1c[nH]c2ccccc12.O.O=O>>N.O=CCc1c[nH]c2ccccc12.OO,public_strict_iteration1_fulltrue_msa,0.4313637641589873,,,s_7b85f430e37427f09efb431e,test
catpreddb_kcat_kcat_b75d876449444c,catpred_iteration1_kcat,kcat,P0ACB4,P0ACB4,MKTLILFSTRDGQTREIASYLASELKELGIQADVANVHRIEEPQWENYDRVVIGASIRYGHYHSAFQEFVKKHATRLNSMPSAFYSVNLVARKPEKRTPQTNSYARKFLMNSQWRPDRCAVIAGALRYPRYRWYDRFMIKLIMKMSGGETDTRKEVVYTDWEQVANFAREIAHLTDKPTLK,CC1=CC(=O)c2ccccc2C1=O.CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O.CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O.CC1=CC(=O)c2ccccc2C1=O>>C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C(C)=C4CCC(=O)O)C(CCC(=O)O)=C3C)C(C=C)=C1C.Cc1cc(O)c2ccccc2c1O,public_strict_iteration1_fulltrue_msa,3.0216853522157057,,,s_60b34ca61aa42f742a37649f,test
catpreddb_kcat_kcat_b7ad8f6950e55b,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O>>CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.0681858617461617,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_b7c7712454dd8f,catpred_iteration1_kcat,kcat,G8XUN7,G8XUN7,MNTRIPPGPGAVPMPSRRLFVQGLAAGGVVAGIAAVGVPQRALAAATAAPRLAGAPAVLSDTRIELAIGESLANFTGRTRPAITVNGSLPAPILRWREGQTVDLFVRNTLERHPTSIHWHGILLPANMDGVPGLSFNGIGPGETYHYHFELKQSGTYWYHSHSMFQEQAGLYGALIIDPAEPAPYHHDREHVILLSDWTDMDPGALFRRMKKLAEHDNYYKRTLPDFLRDVKRDGWSAALSDRGMWGRMRMTPTDISDINAHTYTYLMNGTAPAGNWTGLFRSGEKVLLRFINGASMTYFDVRIPGLKMTVVAADGQYIHPVSIDEFRIAPAETYDVLVEPTGQDAFTIFCQDMGRTGFAAGTLAVRHGLQAPIPAPDPRPLLTMSDMGHDMGSGGHGGHDMAAMKGMEGGCGASMGHDGDTASRAPKHPASERNNPLVDMQSSATEPKLDDPGIGLRDNGRQVLTYGAMRSLFEDPDGREPSREIELHLTGHMEKFSWSFDGIPFASAEPLRLNYGERMRIVLVNDTMMQHPIHLHGVWSDLENAQGEFQLRKHTIDMPPGTRRSYRVRADALGRWAYHCHLLYHMEAGMMREVRIEE,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>CCn1/c(=N/N=C2/Sc3cc(S(=O)(=O)[O-])ccc3[N+]2CC)sc2cc(S(=O)(=O)[O-])ccc21.O,public_strict_iteration1_fulltrue_msa,0.0718820073061253,,,s_d5955ff5ac396c6fbc4cd205,test
catpreddb_kcat_kcat_b82f59a0493684,catpred_iteration1_kcat,kcat,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,C[C@H](N)C(=O)O.O=CC(=O)O,C[C@H](N)C(=O)O.O=CC(=O)O,C[C@H](N)C(=O)O.O=CC(=O)O>>CC(=O)C(=O)O.NCC(=O)O,public_strict_iteration1_fulltrue_msa,0.456366033129043,,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_kcat_kcat_b837d503bb8d48,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=C(C)C(=O)C(C)=C(C)C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=C(C)C(=O)C(C)=C(C)C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=C(C)C(=O)C(C)=C(C)C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1c(C)c(O)c(C)c(C)c1O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_b89267f7c0296f,catpred_iteration1_kcat,kcat,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@@H](O)CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.4775557664936801,,,s_2f0202dd752d2ea76fa66717,test
catpreddb_kcat_kcat_b89e6722311f3d,catpred_iteration1_kcat,kcat,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],C=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],C=CC=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CCC=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.3617278360175928,,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_kcat_kcat_b8a95a7410975b,catpred_iteration1_kcat,kcat,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,CC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(=O)C(C)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.944482672150169,,,s_451a9f71732397357584e474,test
catpreddb_kcat_kcat_b8b889fe51e8fe,catpred_iteration1_kcat,kcat,A1B196,A1B196,MARKSSAPQFLSYGDATGRLSWRDAVEALRQGHTLPQAQIRDVFLGPPTGTMMSRSAWIEGLGYGAKTFTVFDGNAARGLPTVQGAMLVFDKDDGRLQAIVDSPLVTEFKTAADSVLGASLLARPDSRHLLIVGAGTVAASLVRAYTAVLPGIERVSVWARRPQQAQDLIEGLDGIEADLAAVSDLPAAVGQADIVSSATMARQPVILGAWVRPGTHVDLIGAFKADMREADDALMARAALFVDSRETTLGHIGELMLPIASGAITAESVLGDLYDLVRPGARRRQSEDEITVFKNGGGAHLDLMIASYIARVMAG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C1CCCN1,public_strict_iteration1_fulltrue_msa,2.414973347970818,,,s_bad2e779b0d6f8d3cd092635,test
catpreddb_kcat_kcat_b8de655cae99cb,catpred_iteration1_kcat,kcat,E9LVH8,E9LVH8,MANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.514547752660286,,,s_622f654e005640bab6abcb8a,test
catpreddb_kcat_kcat_b902a186f8e6a7,catpred_iteration1_kcat,kcat,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,-1.0969100130080565,,,s_23a07e04da444562badc1284,test
catpreddb_kcat_kcat_b91eda91bc6fc3,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>OC1COC(O)C(O)C1O.OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.431798275933005,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_b92569ade72c8b,catpred_iteration1_kcat,kcat,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCCCCCCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCCCCCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCCCCCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CCCCCCCCCCCCCCC.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CO,public_strict_iteration1_fulltrue_msa,-2.1249387366083,,,s_b4b031ed943af76041b4fd24,test
catpreddb_kcat_kcat_b946ba9672c098,catpred_iteration1_kcat,kcat,D4S0D1,D4S0D1,MKILVINGPNLNFLGIREKNIYGNENYEYLVNMINEYCKSKNIEVECYQSNHEGAIIDKIQEAYFNGTDGIVINPGAYTHYSYAIRDALASVSHIKKIEVHISNVNEREEFRHISVTEPVCNGQIVGQGLKGYIMAIDMLNS,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O>>O.O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,public_strict_iteration1_fulltrue_msa,1.625312450961674,-1.1681302257194983,,s_3c4afb971d501348cbd2962c,test
catpreddb_kcat_kcat_b9658bc9b3cadb,catpred_iteration1_kcat,kcat,Q9XFX4,Q9XFX4,MGTPIKASLLALFLFFLLSPTAFSVSNGGLLRVGLKKRKVDRLDQLRAHGVHMLGNARKDFGFRRTLSDSGSGIVALTNDRDTAYYGEIGIGTPPQNFAVIFDTGSSDLWVPSTKCDTSLACVIHPRYDSGDSSTYKGNGTTASIQYGTGAIVGFYSQDSVEVGDLVVEHQDFIETTEEDDTVFLKSEFDGILGLGFQEISAGKAVPVWYNMVNQGLVEEAVFSFWLNRNVDEEEGGELVFGGVDPNHFRGNHTYVPVTRKGYWQFEMGDVLIGDKSSGFCAGGCAAIADSGTSFFAGPTAIITQINQAIGAKGVLNQQCKTLVGQYGKNMIQMLTSEVQPDKICSHMKLCTFDGAHDVRSMIESVVDKNNDKSSGGEICTFCEMALVRMQNEIKRNETEDNIINHVNEVCDQLPTSSAESIVDCNGISSMPNIAFTIGSKLFEVTPEQYIYKVGEGEAATCISGFTALDIMSPQGPIWILGDMFMGPYHTVFDYGKLRVGFAEAV,O,O,O>>,public_strict_iteration1_fulltrue_msa,1.9513375187959177,,,s_494edfccab5df5c67645574b,test
catpreddb_kcat_kcat_b98bd761b98cd8,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCCCCCC(O)=NC1CCOC1=O.O,CCCCCCCCCCCC(O)=NC1CCOC1=O.O,CCCCCCCCCCCC(O)=NC1CCOC1=O.O>>CCCCCCCCCCCC(O)=NC(CCO)C(=O)O,public_strict_iteration1_fulltrue_msa,0.2787536009528289,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_b99d0b9a515700,catpred_iteration1_kcat,kcat,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,C[C@H](N)C(=O)O.Cc1ncc(COP(=O)(O)O)c(C=O)c1O,C[C@H](N)C(=O)O.Cc1ncc(COP(=O)(O)O)c(C=O)c1O,C[C@H](N)C(=O)O.Cc1ncc(COP(=O)(O)O)c(C=O)c1O>>Cc1ncc(COP(=O)(O)O)c(CN)c1O,public_strict_iteration1_fulltrue_msa,-2.815308569182401,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_b9bf9ac036e381,catpred_iteration1_kcat,kcat,P9WIE5,P9WIE5,MPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGAAFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRGGAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKTFGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPDPMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGWKSSYGTGTGKDAITSGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAGAGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDMGPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAASSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSFADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGKGNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVNLLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKFVQDFVAAWDKVMNLDRFDVR,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.OO,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.OO,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.OO>>CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3ccccc3)[C@H]2[S@@]1=O.O,public_strict_iteration1_fulltrue_msa,2.4350476413399647,,,s_84f37f5b06ab457abf65a56c,test
catpreddb_kcat_kcat_b9cd4c0e16ab23,catpred_iteration1_kcat,kcat,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,O.O=Cc1ccc(C=O)o1,O.O=Cc1ccc(C=O)o1,O.O=Cc1ccc(C=O)o1>>O=Cc1ccc(C(O)O)o1,public_strict_iteration1_fulltrue_msa,0.6812412373755872,,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_kcat_kcat_b9edfd98fbfc91,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_ba067746b389f0,catpred_iteration1_kcat,kcat,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>O=C(CO)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.625312450961674,-1.517273763894765,,s_c914da2418e4f7c204592eba,test
catpreddb_kcat_kcat_ba48e2dd79e32c,catpred_iteration1_kcat,kcat,B5ARZ9,B5ARZ9,MNLKNLIIYEAFARAYPGEKGKKFLSLEKDLERLKGMGINTVWLMPIHPTGVEGRKGTLGSPYAIRDYYEIDLLIGTKGDFKKFVKRAHELNMYVLMDMVLNHAAVDNVLVKKHPEWFLRDENGNPTRKVPDWSDVVDFDYSNGELREYMINMMRYWVEEFDVDGFRCDVAGLVPLDFWLQARKNLDPVKRLIWISETHDPYMYQAFDITYDYDGYYRFRDFIEGKNSLREYIDFLRMQDHMYPRGYIKMRFLENHDQPRVAKFLSRESLMHWIAFLFTVKGVPLVHNGQEYALKEDLDIFNEYTLPIPGEENEIFSLHRKLAHYRYKTNVFSNGEMIFIRNDQPERVISYLWRHGNRFILCVLNPLLENTSVTLDFSGIWENICIHSKNVFNDDIVRVSVKNSRAKIKVGREPLILSFVLY,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.907948521612272,,,s_c2ee9fcdf9a067adb2bd36a5,test
catpreddb_kcat_kcat_ba4e8581031629,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=COC(=O)CCCCCCCCCCC.O,C=COC(=O)CCCCCCCCCCC.O,C=COC(=O)CCCCCCCCCCC.O>>*CC(*)O.CCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,4.079181246047625,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_ba6f1dc6bbcf4a,catpred_iteration1_kcat,kcat,G4NAP4,G4NAP4,MRVLVWIAGLAPLAVAVPSSSYRVAVAARADNTSASVAPSQNVSGAAPPELVVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPTEDALPFQVDRATVKQLTKTSLKALHAAGRLFVADHSYQRNYTRLANRYSAACTALFYLDPRSNQFLPLAIKTNVGADLTYTPLDTDNNNWLLAKIMFNNNDLFHGQIFHVAYPHAIAEIVHLAALRTMSARHPVLALMERLMYQAYAVRPLGERVLFNKGGLFEQNFAYPQDMVYKFVGDSYPTTGRWRAGYLDTDVRARGLVDADYGPELPHFPFYEDGSRLVEVIRRFVRSFVDATYHESDEMVAKDAELQAWVAEANGPAGVEDFEPGPLDTRERLVEVLTHMAWLTGCAHHVLNQGEPVTASGVLPMHPTALYAPVPTSKANTTADLLGYLPSAQKSVDQVTLLARFNRPDVVPTNQTLRYMFAAPQLLLGNGEAYRRANQRFVRAMGRISDEVKARRFDDRGLSQGMPFIWQALDPGNIPFYLSV,CCC=CCC=CCC=CCCCCCCCC(=O)O.O=O,CCC=CCC=CCC=CCCCCCCCC(=O)O.O=O,CCC=CCC=CCC=CCCCCCCCC(=O)O.O=O>>CC/C=C\CC(/C=C/C=C\CCCCCCCC(=O)[O-])OO,public_strict_iteration1_fulltrue_msa,0.5910646070264992,,,s_10729ae42944f3da11c01607,test
catpreddb_kcat_kcat_baf4e6508bf138,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3csc(=N)[nH]3)[C@H]2SC1.O,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3csc(=N)[nH]3)[C@H]2SC1.O,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3csc(=N)[nH]3)[C@H]2SC1.O>>,public_strict_iteration1_fulltrue_msa,2.975431808509263,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_bb210347957cc0,catpred_iteration1_kcat,kcat,Q5LRT0,Q5LRT0,MLGQMMYQPLLISSLIDHAARYHGEAQIWSVSTEGGVEETNWAGIADNARRLGSVLTDAGLAPQSRVATLAWNNRRHLEIYYGVSGAGFVLHTINPRLFPEQLVYILNHAEDRILFFDATFLPLVEGIRPHLTTVERLVLMGPRDEAAAARIEGLEFYDEFVATGDAGFDWPDLDERTASSLCYTSGTTGNPKGVLYSHRSTVLHSFGSNTRDCIGFSARDVVMPVVPMFHVNAWGTPYACAMSGSCMVLPGPDLHGEALVGLIDRYRVTIALGVPTIWQGLLATARAKGSTLESLTRTVIGGAACPPSMIAEFRDRYGVDTVHAWGMSEMSPLGTTNQPLAKHGALPIEAQHKLRENQGRPPYGVELKIVDDDGNTLPNDGQTQGDLMVRGHWVLDSYFQLQDQPILSDGWFATGDVATLDRDGYMTIRDRSKDIIKSGGEWISSVELENIAVAHPKLATAAVIGVPHPKWDERPLLVAVKAEGETPDEAELLAFFDGKIAKWQVPDRVVFVEALPLNATGKVLKRTLREQFRDVLTG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(=O)[O-].Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(=O)[O-].Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCC(=O)[O-].Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.568201724066995,,,s_a5f87fece84bb75d5e29c14c,test
catpreddb_kcat_kcat_bb6591d287660a,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.3926969532596658,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_bb72d8dd515387,catpred_iteration1_kcat,kcat,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1.O>>,public_strict_iteration1_fulltrue_msa,0.4771212547196624,,,s_48d0e57876a633501632a01a,test
catpreddb_kcat_kcat_bb7ab48cf153b5,catpred_iteration1_kcat,kcat,P07229,P07229,MDSQVRQNFHRDCEAAINRMVNMELYASYTYLSMAFYFDRDDIALHNVAKFFKEQSHEEREHAEKLMKDQNKRGGRIVLQDVKKPERDEWGNTLEAMQAALQLEKTVNQALLDLHKVGSDKVDPHLCDFLETEYLEEQVKSIKQLGDYITNLKRLGLPQNGMGEYLFDKHTMGESS,O=O.[Fe+2].[H],O=O.[Fe+2].[H],O=O.[Fe+2].[H]>>O.[Fe+3],public_strict_iteration1_fulltrue_msa,2.715167357848458,,,s_b414e32f6c53916090a3e548,test
catpreddb_kcat_kcat_bb7b24b79653ee,catpred_iteration1_kcat,kcat,A0A1E1FNX1,A0A1E1FNX1,MLRRASLPHRKTTRRSFVAAALLLAFAAPAAPAVAADSPGRSAVESPAPTTRQPLGTKTLHLVDTSRPDPWKPSAGHRELMVSLWYPALPSRSDRAPYMSAALSKAMLGSEVLSGVRTHAVAGARPAPVARPLVVLSPGFQMSRLTLTALGEDLASRGYAVAALDHTYEAPVEFPGGRVEPCLICEKPDLNAVVRNRAQDIRFLLDRLTGPGGELRVDRHRIAVVGHSIGGASAVETMREDPRVGAAVNLDGDFFLDPPAKGLNRPVLLLGAQRGRDTEDSRGDWERNWPHLTGWKRWLDVPDGGHMTFTDVPWIVDRFGRPAQIPPEQVPGQFGTLGGARATALTRAYVAAFLDRQLRGRPSPLLDRPSTAYPEVTILK,COC(=O)/C=C/c1ccc(O)c(OC)c1.O,COC(=O)/C=C/c1ccc(O)c(OC)c1.O,COC(=O)/C=C/c1ccc(O)c(OC)c1.O>>CO.COc1cc(/C=C/C(=O)O)ccc1O,public_strict_iteration1_fulltrue_msa,-2.3467874862246565,,,s_11303bbb87beaeedd47209d2,test
catpreddb_kcat_kcat_bb8417488ba155,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O=[N+]([O-])c1ccc(OC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(OC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(OC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC1OC[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.629409599102719,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_bb88c20c561e0f,catpred_iteration1_kcat,kcat,E9LVH8,E9LVH8,MANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.639486489268586,,,s_622f654e005640bab6abcb8a,test
catpreddb_kcat_kcat_bb8b780de631c9,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.863322860120456,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_bb9ba1d742c1fc,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.071882007306125,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_bbac11f9bbd51e,catpred_iteration1_kcat,kcat,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1.O,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1.O,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1.O>>Nc1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.155336037465062,,,s_205b4fb49279b335382e3627,test
catpreddb_kcat_kcat_bbdee7ebd5a81d,catpred_iteration1_kcat,kcat,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2.N[C@@H](CO)C(=O)O,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2.N[C@@H](CO)C(=O)O,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2.N[C@@H](CO)C(=O)O>>N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.NCC(=O)O.O,public_strict_iteration1_fulltrue_msa,1.1760912590556811,,,s_08e94d00e198158ed1db5b76,test
catpreddb_kcat_kcat_bbf8f5b8a6e43f,catpred_iteration1_kcat,kcat,B3U3D9,B3U3D9,QQKKSGNIPYRVNVQADSAKQSEIIDNKWVAVGINKPYALQYDDKLRFNGKPSYRFELKAEDNSLEGYAAGETKGRIELSYSYATTNDFKKFPPSVYQNAQKLKTVYHYGKGICEQGSSRSYTFSVYIPSSFPDNATTIFAQWHGAPSRTLVATPEGEIKTLSIEEFLALYDRMIFKKNIAHDKVEKKDKDGKITYVAGKPNGWKVEQGGYPPLAFGFSKGYFYIKANSDRQWLTDKADRNNANPENSEVMKPYSSEYKTSTIAYKMPFAQFPKDCWITFDVAIDWTKYGKEANTILKPGKLDVMMTYTKNKKPQKAHIVNQQEILIGRNDDDGYYFKFGIYRVGNSTVPVTYNLSGYSETAR,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]3[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]4[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]9[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%10[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%11[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%12[C@H](O)C(S(N)(=O)=O)[C@@H](O)O[C@@H]%12COS(=O)(=O)O)O[C@@H]%11COS(=O)(=O)O)O[C@@H]%10COS(=O)(=O)O)O[C@@H]9COS(=O)(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@H]6C(=O)O)O[C@H]5C(=O)O)O[C@H]4C(=O)O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]3[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]4[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]9[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%10[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%11[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%12[C@H](O)C(S(N)(=O)=O)[C@@H](O)O[C@@H]%12COS(=O)(=O)O)O[C@@H]%11COS(=O)(=O)O)O[C@@H]%10COS(=O)(=O)O)O[C@@H]9COS(=O)(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@H]6C(=O)O)O[C@H]5C(=O)O)O[C@H]4C(=O)O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]3[C@H](O)[C@@H](N=C(C)O)[C@@H](O[C@H]4[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]5[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]6[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]7[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@H]8[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]9[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%10[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%11[C@H](O)C(S(N)(=O)=O)[C@@H](O[C@H]%12[C@H](O)C(S(N)(=O)=O)[C@@H](O)O[C@@H]%12COS(=O)(=O)O)O[C@@H]%11COS(=O)(=O)O)O[C@@H]%10COS(=O)(=O)O)O[C@@H]9COS(=O)(=O)O)O[C@@H]8COS(=O)(=O)O)O[C@H]7C(=O)O)O[C@H]6C(=O)O)O[C@H]5C(=O)O)O[C@H]4C(=O)O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O>>O=C(O)[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](NS(=O)(=O)O)[C@@H](O)O[C@@H]2COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.3222192947339193,-0.2518119729937995,,s_9e6de217d3a4812907d45998,test
catpreddb_kcat_kcat_bc0b27d2a8da4a,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.459392487759231,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_bc45aec23eeb4c,catpred_iteration1_kcat,kcat,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)c1[nH]c(=O)[nH]c(=O)c1N2.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-1.3010299956639813,,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_kcat_kcat_bc46dd5bd612f1,catpred_iteration1_kcat,kcat,O80852,O80852,MVLKVYGPHFASPKRALVTLIEKGVAFETIPVDLMKGEHKQPAYLALQPFGTVPAVVDGDYKIFESRAVMRYVAEKYRSQGPDLLGKTVEDRGQVEQWLDVEATTYHPPLLNLTLHIMFASVMGFPSDEKLIKESEEKLAGVLDVYEAHLSKSKYLAGDFVSLADLAHLPFTDYLVGPIGKAYMIKDRKHVSAWWDDISSRPAWKETVAKYSFPA,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>Cl.NC(CCC(=O)NC(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.0087739243075051,,,s_eca93ea1047cbdbf8535743c,test
catpreddb_kcat_kcat_bc6438f54ea8d6,catpred_iteration1_kcat,kcat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public_strict_iteration1_fulltrue_msa,1.977723605288848,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_bc7248e89ac7bd,catpred_iteration1_kcat,kcat,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.2343314452409859,,,s_d053f6b16bee1b61e3a75110,test
catpreddb_kcat_kcat_bc890781372469,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCc1ccccn1.O.O=O,NCCc1ccccn1.O.O=O,NCCc1ccccn1.O.O=O>>N.O=Cc1ccccn1.OO,public_strict_iteration1_fulltrue_msa,0.4623979978989561,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_bc9d5fe9ac713f,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1O.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_bcbd7ba9dc290a,catpred_iteration1_kcat,kcat,Q5LRT0,Q5LRT0,MLGQMMYQPLLISSLIDHAARYHGEAQIWSVSTEGGVEETNWAGIADNARRLGSVLTDAGLAPQSRVATLAWNNRRHLEIYYGVSGAGFVLHTINPRLFPEQLVYILNHAEDRILFFDATFLPLVEGIRPHLTTVERLVLMGPRDEAAAARIEGLEFYDEFVATGDAGFDWPDLDERTASSLCYTSGTTGNPKGVLYSHRSTVLHSFGSNTRDCIGFSARDVVMPVVPMFHVNAWGTPYACAMSGSCMVLPGPDLHGEALVGLIDRYRVTIALGVPTIWQGLLATARAKGSTLESLTRTVIGGAACPPSMIAEFRDRYGVDTVHAWGMSEMSPLGTTNQPLAKHGALPIEAQHKLRENQGRPPYGVELKIVDDDGNTLPNDGQTQGDLMVRGHWVLDSYFQLQDQPILSDGWFATGDVATLDRDGYMTIRDRSKDIIKSGGEWISSVELENIAVAHPKLATAAVIGVPHPKWDERPLLVAVKAEGETPDEAELLAFFDGKIAKWQVPDRVVFVEALPLNATGKVLKRTLREQFRDVLTG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.8573324964312685,,,s_a5f87fece84bb75d5e29c14c,test
catpreddb_kcat_kcat_bce79727407ced,catpred_iteration1_kcat,kcat,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.4116197059632305,,,s_205b4fb49279b335382e3627,test
catpreddb_kcat_kcat_bcebc71231484b,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O.O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.3424226808222062,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_bd102bb859ff32,catpred_iteration1_kcat,kcat,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,Nc1ccc(N)cc1.O=O,Nc1ccc(N)cc1.O=O,Nc1ccc(N)cc1.O=O>>,public_strict_iteration1_fulltrue_msa,1.954242509439325,,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_kcat_kcat_bd26990a17e801,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.9030899869919435,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_bd2bc0cf0262a0,catpred_iteration1_kcat,kcat,A0QY29,A0QY29,MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVVPDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAMYTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFHPAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADRPESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAALWRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVPAALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIEIDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGYGF,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCc1cnc[nH]1,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCc1cnc[nH]1,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NCCc1cnc[nH]1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC(O)=NCCc1cnc[nH]1,public_strict_iteration1_fulltrue_msa,-0.3187587626244128,,,s_c98fff9ef9ca8eb344a3f0c8,test
catpreddb_kcat_kcat_bd4388cb39d960,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2ccccc21.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1C=CC(=O)c2ccccc21.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Oc1ccc(O)c2ccccc12,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_bd61cd478a8d43,catpred_iteration1_kcat,kcat,P44514,P44514,MKEKVVSLAQDLIRRPSISPNDEGCQQIIAERLEKLGFQIEWMPFNDTLNLWAKHGTSEPVIAFAGHTDVVPTGDENQWSSPPFSAEIIDGMLYGRGAADMKGSLAAMIVAAEEYVKANPNHKGTIALLITSDEEATAKDGTIHVVETLMARDEKITYCMVGEPSSAKNLGDVVKNGRRGSITGNLYIQGIQGHVAYPHLAENPIHKAALFLQELTTYQWDKGNEFFPPTSLQIANIHAGTGSNNVIPAELYIQFNLRYCTEVTDEIIKQKVAEMLEKHNLKYRIEWNLSGKPFLTKPGKLLDSITSAIEETIGITPKAETGGGTSDGRFIALMGAEVVEFGPLNSTIHKVNECVSVEDLGKCGEIYHKMLVNLLDS,N[C@@H](CCC[C@H](N=C(O)CCC(=O)O)C(=O)O)C(=O)O.O,N[C@@H](CCC[C@H](N=C(O)CCC(=O)O)C(=O)O)C(=O)O.O,N[C@@H](CCC[C@H](N=C(O)CCC(=O)O)C(=O)O)C(=O)O.O>>N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O.O=C(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,2.146128035678238,,,s_b07f4d5a82f88e0062e88c59,test
catpreddb_kcat_kcat_bd6717034f2e1d,catpred_iteration1_kcat,kcat,Q62087,Q62087,MGKLVALTLLGACLALIGERLLNFRERVSTTREIKATEPQNCHLIEGLENGSEDIDILPSGLAFISTGLKYPGMPAFAPDKPGRIFLMDLNEQNPEAQALEISGGLDQESLNPHGISTFIDKDNTAYLYVVNHPNMDSTVEIFKFEEQQRSLIHLKTLKHELLKSVNDIVVLGPEQFYATRDHYFTSYFLVLLEMILDPHWTSVVFYSPKEVKVVAQGFSSANGITVSLDQKFVYVADVTAKNIHIMKKHDNWDLTPVKVIQLGTLVDNLTVDPATGDILAGCHPNPMKLLIYNPEDPPGSEVLRIQDSLSDKPRVSTLYANNGSVLQGSTVASVYHKRMLIGTIFHKALYCDL,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1.O,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1.O,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1.O>>CCOP(=O)(O)OCC.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-3.096910013008056,,,s_8355cc7a8bc57f26e925c227,test
catpreddb_kcat_kcat_bd7e44199895c9,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)C[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CC(C)C[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CC(C)C[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>CC(C)C[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.6946051989335686,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_bd83d789704934,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccnc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccnc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1cccnc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCc1cccnc1,public_strict_iteration1_fulltrue_msa,2.778151250383644,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_bda83b01699e02,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O.O>>,public_strict_iteration1_fulltrue_msa,2.406540180433955,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_bdfea9da4ddb03,catpred_iteration1_kcat,kcat,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OCC1(O)OCC(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OCC1(O)OCC(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OCC1(O)OCC(O)C1O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC(O)C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,0.6972293427597176,,,s_88c15a707a29b1b8455de139,test
catpreddb_kcat_kcat_bea42c5966e1aa,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>O=P(O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.7323937598229685,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_bedaada61c745d,catpred_iteration1_kcat,kcat,Q70GK9,Q70GK9,MAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSGAGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFYSREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVSAIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADAGEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEAR,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[F-],C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[F-],C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.[F-]>>CSCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.1307682802690238,,,s_54d0045dd302676c073cb3d0,test
catpreddb_kcat_kcat_bedba04149ec6d,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O[C@H]1CCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O[C@H]1CCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O[C@H]1CCc2ccccc21>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1CCc2ccccc21.[H],public_strict_iteration1_fulltrue_msa,3.0569048513364727,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_beec66f52c7888,catpred_iteration1_kcat,kcat,Q58054,Q58054,MNKAVIYTLPKGTYSEKATKKFLDYIDGDYKIDYCNSIYDVFERVDNNGLGVVPIENSIEGSVSLTQDLLLQFKDIKILGELALDIHHNLIGYDKNKIKTVISHPQALAQCRNYIKKHGWDVKAVESTAKAVKIVAESKDETLGAIGSKESAEHYNLKILDENIEDYKNNKTRFILIGKKVKFKYHPKNYKVSIVFELKEDKPGALYHILKEFAERNINLTRIESRPSKKRLGTYIFYIDFENNKEKLEEILKSLERHTTFINLLGKYPVFD,O=C(O)C(=O)CC1(C(=O)O)C=CC(O)C=C1,O=C(O)C(=O)CC1(C(=O)O)C=CC(O)C=C1,O=C(O)C(=O)CC1(C(=O)O)C=CC(O)C=C1>>O.O=C(O)C(=O)Cc1ccccc1.O=C=O,public_strict_iteration1_fulltrue_msa,1.089905111439398,-1.0446877975553994,,s_8228c0998e0f613a450b0a14,test
catpreddb_kcat_kcat_bf9e5bdf058cd2,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-1.5528419686577808,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_bfb8abfd0b287b,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.326335860928752,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_bfc88506b04bd9,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.8920946026904804,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_bfe52f86568310,catpred_iteration1_kcat,kcat,P59626,P59626,MDISVEFSGHKLANVLMNASGIHCMTIKEMDELAASQAGAFVAKTATPNPRQGNEEPRYFDTPLGSINSMGLPNLGIDYYLDYQIARQKEFPEELRFLSVSGMNYEENIAILKKVQESEYTGVTEFNLSCPNLPGKPQIAYDFELTEKLLTEVFQFFTKPLGVKLPPFFDIAHFDAMAEILNKFPLVYVNSINSIGNGLYIDSDKEEVVIKPKGGFGGLGGEYVKPTALANVRAFAQRLKPEIKIIGTGGITCGKDVFEHLLCGATLVQVGTQLHQEGPQVFERLAKELQEIMAAKGYESIEEFRGKLKEM,CC1=CC(=O)c2ccccc2C1=O.O=C1CC(C(=O)O)NC(=O)N1,CC1=CC(=O)c2ccccc2C1=O.O=C1CC(C(=O)O)NC(=O)N1,CC1=CC(=O)c2ccccc2C1=O.O=C1CC(C(=O)O)NC(=O)N1>>Cc1cc(O)c2ccccc2c1O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,1.740362689494244,,,s_3d689b9a25c332dac074a68d,test
catpreddb_kcat_kcat_c043fb679821db,catpred_iteration1_kcat,kcat,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,O.O=C(O)CC(=O)C(=O)O,O.O=C(O)CC(=O)C(=O)O,O.O=C(O)CC(=O)C(=O)O>>CC(=O)O.O=C(O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.4345689040341987,,,s_6dbd2dd810498498c8b82108,test
catpreddb_kcat_kcat_c04eb4d8c5690d,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-2.537602002101044,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_c05b50c5f0dd19,catpred_iteration1_kcat,kcat,A0JC77,A0JC77,MAPNAPFARSLRLQRLHHHDPDRLFIVPLDHSITDGPLSRAHRLDPLVGELASHHVDGIVLHKGSLRHVDPEWFTRTSLIVHLSASTVHAPDPNAKYLVSSVEESLRMGADAVSVHVNLGSEGERHQIADMAAVAEACDRWNVPLLAMMYPRGPKIDDPRDPALVAHAVQVAVDLGADLVKTLYVGSVAAMAEITAASPVPVVVVGGPRDSDESRILAYVDDALRGGAAGVAMGRNVFQAPDPGAMADKLSDLIHNSGTRGAARAPAGAAAGAA,N[C@@H](CC=O)C(=O)O.O=C(CO)COP(=O)(O)O,N[C@@H](CC=O)C(=O)O.O=C(CO)COP(=O)(O)O,N[C@@H](CC=O)C(=O)O.O=C(CO)COP(=O)(O)O>>NC(CC(O)C(O)C(=O)COP(=O)(O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_6ed69a3db6fe87e936fb4ce0,test
catpreddb_kcat_kcat_c0841d27adbf4b,catpred_iteration1_kcat,kcat,G2QH47,G2QH47,MPMPSLRRLAVVGLASHAACTSIKYTTPPAASVICNEHSYTYQGLAGYGSLPSDARDQYGDTISFGSSMAIKNWTRTGNKYKGTMYGLPDRGWNTNGTQNTIPRVHVFELSLTETEATVSKPSGPNVEFKYQRTILLHGPDGKPMTGLDPDFTGGLTYPGFPTMPAATYPGDGFGGPGPGDKRISLDAEGLVVEEDGSFWISDEYGPFLYRFDEKGRMTAAIQPPDALLPIRNGNVSFNSNTPPIYDSSLVPSPEDPDHGRQNNQGFEGLTISADGKTLWAMLQSAAEQDGGASSSKRRNTRLLKYALRRTDKKKTKNKKKGGDVEVTYEAEYAVPLPTYENSKGKTRVAAQSEIHYVSDSQLLVLARDSDAGRGRDDPLSRYRHVDIVDISGATNIAGPRFDDVRNGNITVGGTSDPSDDLVDGITPAKLCPFIDYNLNSELNKFRTAEGDLVHNGEPVNLGLLNEKWEALALVPVIPDTKGKGKDEGGTCGGKRDGDEYYLFTLSDNDFITNNGYADFGKIHYVDDSATVPFLNSQALVFRITLPRGSKPLIS,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O>>O=P(O)(O)O.O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.577491799837225,,,s_e637b0c3101cf28c7a2abcf1,test
catpreddb_kcat_kcat_c095bb513dcc00,catpred_iteration1_kcat,kcat,Q93NG6,Q93NG6,MTVTSQVKPEDEMLNWGRLILDGVSYSDMVGARDRPKEITWFDYWMSLANEYEQEAERKVALGHDLSAGELLMSAALCAQYAQFLWFDERRQKGQARKVELYQKAAPLLSPPAERHELVVDGIPMPVYVRIPEGPGPHPAVIMLGGLESTKEESFQMENLVLDRGMATATFDGPGQGEMFEYKRIAGDYEKYTSAVVDLLTKLEAIRNDAIGVLGRSLGGNYALKSAACEPRLAACISWGGFSDLDYWDLETPLTKESWKYVSKVDTLEEARLHVHAALETRDVLSQIACPTYILHGVHDEVPLSFVDTVLELVPAEHLNLVVEKDGDHCCHNLGIRPRLEMADWLYDVLVAGKKVAPTMKGWPLNG,CNCCCC(=O)c1ccc(O)nc1O.O,CNCCCC(=O)c1ccc(O)nc1O.O,CNCCCC(=O)c1ccc(O)nc1O.O>>CNCCCC(=O)O.Oc1cccc(O)n1,public_strict_iteration1_fulltrue_msa,2.898725181589493,,,s_a3726f2264e0a116d65fe266,test
catpreddb_kcat_kcat_c0af6c0ca34252,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].CC(C)C[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.3010299956639812,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_c0efc1391a9374,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.6998377258672457,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_c0f7938b754a8f,catpred_iteration1_kcat,kcat,B6D1W5,B6D1W5,MLSHIVEAFTGKNEEENKKKIKGKVVLMKKNVLDFNDFGGSVLDRVHELLGQKVSLQLISSINGDPENKLKGKLGRAAYLEDWITTFTSLTPGDSAFHVTFDWEEEEIGIPGAFIIQNFHHTEFYLKTLTLEDVPGHHGPIHFVCNSWVYPAEKYKTDRVFFTNKTYLPSETPEPLVKYREEELVNLRGNGSGQLEEWDRVYDYAYYNDLGDPDKGSDYARPVLGGSVEYPYPRRGRTGRPPTKTDPNSESRIPLLTSLDIYIPRDERFGHLKMSDFLAYALKSVVQFLLPEFEDLCDSIHNEFDSFEDILQIYEGGFKLPEGPLLKNIFENIPFEMLKVLLRSDGEGLFKFPLPQVIKDDKSAWRTDEEFAREMLAGVNPVIISRLQEFPPTSKLDPNLYGDQTSTISGGHIENKLDGLTIDEAIRTNKLFILNHHDALMPYLKRINSTTTKTYASRTLLFLQKDGSLKPLAIELSLPHPDGYQFGAISKVYLPAEHGIDSSIWQLAKAYVAINDSGVHQLISHWLNTHASIEPFVIATNRQLSVLYPIHKLLHPHFRDTMNINAVGRQILINAGGILEATVFPAKYSMEMSAVIYKDWVFTEQGLPADLLKRGMAVDDSNSPHGLRLLIEDYPYAVDGLEIWSAIKTWVQDYCNFYYTSDILVQKDAELQSWWTEVREKGHGDKKNEPWWPKMQTRGELVDSCTTIIWMASALHAAVNFGQYPYAGYLPVRPTLSRRFMPEPGKPEYDELKTNPDKVFLKTITARLQTLLGISLIEILSSHSSDEVYLGQRDALEWTKDVEPLEAFDRFGTKLREVEERIKQMNNDKKWRNRVGPVNVPYTLLYPTSEEGLTGKGIPNSVSI,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.O=O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.O=O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.O=O>>CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,public_strict_iteration1_fulltrue_msa,1.682686478249768,,,s_321ab8105e12d5f609b93865,test
catpreddb_kcat_kcat_c12c03b4e7113a,catpred_iteration1_kcat,kcat,C4PKL4,C4PKL4,MSIWRGSLPLFLLLLAAATAEPASMLEGPSGPVTVLLQEDRGHAVDLPDTDPRVQRRVTGWAPEQIAVALSAAPTSAWVSWITGDFQMGGAVKPLDPGTVGSVVRYGLAADSVVREATGDALVYSQLYPFEGLQNYTSGIIHHVRLQGLEPGTKYYYQCGDPAIPGAMSAVHAFRTMPAVGPRSYPGRIAVVGDLGLTYNTTSTVEHMASNQPDLVLLVGDVSYANLYLTNGTGTDCYSCSFAKSTPIHETYQPRWDYWGRYMEPVTSSTPMMVVEGNHEIEQQIGNKTFAAYSARFAFPSKESESFSPFYYSFDVGGIHFIMLAAYANYSKSGDQYRWLEKDLAKVDRSVTPWLVAGWHAPWYSTYKAHYREAECMRVAMEELLYSYGIDIVFTGHVHAYERSNRVFNYTLDPCGAVHISVGDGGNREKMATTHADEPGRCPEPLSTPDDFMGGFCAFNFTSGPAAGSFCWDRQPDYSAYRESSFGHGILEVKNETHALWKWHRNQDLYQGAVGDEIYIVREPGRCLLSSSIAAYF,O.O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O>>O=P(O)(O)O.O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,2.403120521175818,,,s_072f9975261859a30e78e811,test
catpreddb_kcat_kcat_c14d83fcb066fc,catpred_iteration1_kcat,kcat,I3RYX9,I3RYX9,MNLEKFVDELPIPEVAEPVKKNPRQTYYEIAMEEVFLKVHRDLPPTKLWTYNGSLPGPTIHANRNEKVKVKWMNKLPLKHFLPVDHTIHEGHHDEPEVKTVVHLHGGVTPASSDGYPEAWFSRDFEATGPFFEREVYEYPNHQQACTLWYHDHAMALTRLNVYAGLAGFYLISDAFEKSLELPKDDYDIPLMIMDRTFQEDGSLFYPSRPNDTPEDSDIPDPSIVPFFCGETILVNGKVWPYLEVEPRKYRFRILNASNTRTYELHLDNDATIMQIGSDGGFLPRPVRHQSFSIAPAERFDVIIDFSAYENKTITLKNTAGCGQDVNPETDANIMQFKVTRPLKGRVPKTLRPIFKPLPPLRPSRADRERTLTLTGTQDKYGRPILLLDNHFWNDPVTENPRLGSLEVWSIVNPTRGTHPIHLHLVQFRVIDRRPFDTEVYQSTGEIVYTGPNEAPPLHEQGYKDTIQAHAGEVIRIVARFVPYTGRYVWHCHILEHEDYDMMRPMDIIQ,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>CCn1/c(=N/N=C2/Sc3cc(S(=O)(=O)[O-])ccc3[N+]2CC)sc2cc(S(=O)(=O)[O-])ccc21.O,public_strict_iteration1_fulltrue_msa,2.576341350205793,,,s_a45c77f876b0fbcc5adde9ef,test
catpreddb_kcat_kcat_c18139705b0fdb,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,O=[N+]([O-])c1ccc([C@@H](O)CBr)cc1,O=[N+]([O-])c1ccc([C@@H](O)CBr)cc1,O=[N+]([O-])c1ccc([C@@H](O)CBr)cc1>>Br.O=[N+]([O-])c1ccc(C2CO2)cc1,public_strict_iteration1_fulltrue_msa,1.3424226808222062,-2.0457574905606752,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_c188226fc4fc37,catpred_iteration1_kcat,kcat,A0A0M3KL09,A0A0M3KL09,PSKAFETLPNIYLVGPMGAGKTTVGRHLAELLGREFLDSDHEIERKTGATIPWIFEKEGEVGFRTRETVVLNELTSRKALVLATGGGAITQAPNREFLKQRGIVVYLYTPVELQLQRTYRDKNRPLLQVENPEQKLRDLLKIRDPLYREVAHYTIETNQGAARDLAQKILQLILSNKLK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)C1=C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)C1,public_strict_iteration1_fulltrue_msa,1.3304137733491908,,,s_1f7d13c47bf7e5592b79862e,test
catpreddb_kcat_kcat_c19164db287ab2,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.832508912706236,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_c194216b83f78c,catpred_iteration1_kcat,kcat,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,O=O.[Fe+2].[H],O=O.[Fe+2].[H],O=O.[Fe+2].[H]>>O.[Fe+3],public_strict_iteration1_fulltrue_msa,3.357934847000454,,,s_51f714c2449518f0f1cf2f16,test
catpreddb_kcat_kcat_c19ed0910c4a5c,catpred_iteration1_kcat,kcat,Q5MY95,Q5MY95,MGLSRKEQVFLALLGASGVSGLTALILLLVEATSVLLPTDIKFGIVFDAGSSHTSLFLYQWLANKENGTGVVSQALACQVEGPGISSYTSNAAQAGESLQGCLEEALVLIPEAQHRKTPTFLGATAGMRLLSRKNSSQARDIFAAVTQVLGRSPVDFWGAELLAGQAEGAFGWITVNYGLGTLVKYSFTGEWIQPPEEMLVGALDMGGASTQITFVPGGPILDKSTQADFRLYGSDYSVYTHSYLCFGRDQMLSRLLVGLVQSRPAALLRHPCYLSGYQTTLALGPLYESPCVHATPPLSLPQNLTVEGTGNPGACVSAIRELFNFSSCQGQEDCAFDGVYQPPLRGQFYAFSNFYYTFHFLNLTSRQPLSTVNATIWEFCQRPWKLVEASYPGQDRWLRDYCASGLYILTLLHEGYGFSEETWPSLEFRKQAGGVDIGWTLGYMLNLTGMIPADAPAQWRAESYGVWVAKVVFMVLALVAVVGAALVQLFWLQD,O,O,O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-1.4122890349810886,,,s_3f20c11685a86dff6e99cdf7,test
catpreddb_kcat_kcat_c1da408476022d,catpred_iteration1_kcat,kcat,Q7PXA7,Q7PXA7,MAIMLCYEGRLSLYCFLGGMASLLVFYGAEAFLHEESIWTKVALSVGYYISLNVIIRIRYNPRDYQIAVRAAFLGTVLSAGIVVVLYAQEQYKSFGIYATLMALFHYTEYLGIAICNPKTLSPDSFILNHSIHYGLAAAASWIEYFVEVHYFPEMKTYKSVWIAGLLLCLAGESLRKVAMITASKNFSHIVQFERHNEHELVTHGVYGWMRHPSYVGWFYWSIGTQITLANPVCFVIYAIASWKFFHDRILMEEITLLNFFGEEYIQYQERVPSGLPYISGFRVEP,CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](N=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](N=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](N=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21)C(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COC(=O)[C@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)N=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.0315170514460648,,,s_7429b4bba47ab802151624e7,test
catpreddb_kcat_kcat_c1f32485480424,catpred_iteration1_kcat,kcat,Q9X9I8,Q9X9I8,MKISEFLHLALPEEQWLPTISGVLRQFAEEECYVYERPPCWYLGKGCQARLHINADGTQATFIDDAGEQKWAVDSIADCARRFMAHPQVKGRRVYGQVGFNFAAHARGIAFNAGEWPLLTLTVPREELIFEKGNVTVYADSADGCRRLCEWVKEASTTTQNAPLAVDTALNGEAYKQQVARAVAEIRRGEYVKVIVSRAIPLPSRIDMPATLLYGRQANTPVRSFMFRQEGREALGFSPELVMSVTGNKVVTEPLAGTRDRMGNPEHNKAKEAELLHDSKEVLEHILSVKEAIAELEAVCLPGSVVVEDLMSVRQRGSVQHLGSGVSGQLAENKDAWDAFTVLFPSITASGIPKNAALNAIMQIEKTPRELYSGAILLLDDTRFDAALVLRSVFQDSQRCWIQAGAGIIAQSTPERELTETREKLASIAPYLMV,C=C(O[C@H]1C=CC=C(C(=O)O)[C@@H]1O)C(=O)O,C=C(O[C@H]1C=CC=C(C(=O)O)[C@@H]1O)C(=O)O,C=C(O[C@H]1C=CC=C(C(=O)O)[C@@H]1O)C(=O)O>>CC(=O)C(=O)O.O=C(O)c1ccccc1O,public_strict_iteration1_fulltrue_msa,-1.0362121726544449,-3.2365720064370627,,s_4557e7741195f9f085489a2e,test
catpreddb_kcat_kcat_c22eeee755302f,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC(C)C[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.2973227142053028,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_c23178382da327,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,-1.0757207139381184,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_c25986a7198889,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)CCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.3010299956639813,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_c2600420b4dfff,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,CSCC[C@H](N=C(O)CCC(=O)O)C(=O)O,CSCC[C@H](N=C(O)CCC(=O)O)C(=O)O,CSCC[C@H](N=C(O)CCC(=O)O)C(=O)O>>CSCC[C@@H](NC(=O)CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,0.1760912590556812,0.4771212547196624,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_c292f7671d71d9,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O.O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O.O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O.O>>,public_strict_iteration1_fulltrue_msa,1.845098040014257,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_c29bb29cf8e436,catpred_iteration1_kcat,kcat,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O.O=C(O)C1=C(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12>>,public_strict_iteration1_fulltrue_msa,1.8573324964312683,,,s_48d0e57876a633501632a01a,test
catpreddb_kcat_kcat_c2c003d85b69c7,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.1398790864012365,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_c2c493b15f3505,catpred_iteration1_kcat,kcat,Q39761,Q39761,MASQVSQMPSSSPLSSNKDEMRPKADFQPSIWGDLFLNCPDKNIDAETEKRHQQLKEEVRKMIVAPMANSTQKLAFIDSVQRLGVSYHFTKEIEDELENIYHNNNDAENDLYTTSIRFRLLREHGYNVSCDVFNKFKDEQGNFKSSVTSDVRGLLELYQASYLRVHGEDILDEAISFTTHHLSLAVASLDHPLSEEVSHALKQSIRRGLPRVEARHYLSVYQDIESHNKALLEFAKIDFNMLQFLHRKELSEICRWWKDLDFQRKLPYARDRVVEGYFWISGVYFEPQYSLGRKMLTKVIAMASIVDDTYDSYATYEELIPYTNAIERWDIKCIDEIPEYMKPSYKALLDVYEEMVQLVAEHGRQYRVEYAKNAMIRLAQSYLVEAKWTLQNYKPSFEEFKANALPTCGYAMLAITSFVGMGDIVTPETFKWAASDPKIIQASTIICRFMDDVAEHKFKHRREDDCSAIECYMEEYGVTAQEAYDVFNKHVESAWKDLNQEFLKPTEMPTEVLNRSLNLARVMDVLYREGDGYTYVGKAAKGGITSLLIEPIAL,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-2.0,-2.649888884488229,,s_219acb068abb1da864bac43f,test
catpreddb_kcat_kcat_c2c4bb776d50da,catpred_iteration1_kcat,kcat,P35236,P35236,MVQAHGGRSRAQPLTLSLGAAMTQPPPEKTPAKKHVRLQERRGSNVALMLDVRSLGAVEPICSVNTPREVTLHFLRTAGHPLTRWALQRQPPSPKQLEEEFLKIPSNFVSPEDLDIPGHASKDRYKTILPNPQSRVCLGRAQSQEDGDYINANYIRGYDGKEKVYIATQGPMPNTVSDFWEMVWQEEVSLIVMLTQLREGKEKCVHYWPTEEETYGPFQIRIQDMKECPEYTVRQLTIQYQEERRSVKHILFSAWPDHQTPESAGPLLRLVAEVEESPETAAHPGPIVVHCSAGIGRTGCFIATRIGCQQLKARGEVDILGIVCQLRLDRGGMIQTAEQYQFLHHTLALYAGQLPEEPSP,O,O,O>>*C(N)C(=O)NC(*)C(=O)NC(*)C(=O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.0655015487564322,,,s_1f243b309cb7f1450c11c920,test
catpreddb_kcat_kcat_c2d011fb1e0980,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>O=P(O)(O)OP(=O)(O)O.O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,2.3010299956639813,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_c311298c24b950,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.[H+]>>,public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_c3349f73e623fb,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.886490725172482,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_c35186f67b3903,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,CCSC[C@H](N)C(=O)O.O,CCSC[C@H](N)C(=O)O.O,CCSC[C@H](N)C(=O)O.O>>CC(=O)C(=O)O.CCS.N,public_strict_iteration1_fulltrue_msa,1.568201724066995,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_c3524523c74558,catpred_iteration1_kcat,kcat,B9WNA0,B9WNA0,MKRSVSKVWLNEDTPNDPYPLYAPSPLPPKRPGTIRVWVDGCFDMLHFGHANALRQARSMGDELFVGCHTDEEIIRHKGPPSMRQEERYEALRACKWVDAVIEGYPYVTRVEDMKRFEVDFVVHGDDISVDLNGRNSYQAIIDAGMFKAVRRTECISTTDLVGRMLLCVPSELLSDADKKLLDSEVARKRGPHYLTTSRKIAQFSNKLAPPVGATVVYVDGAFDLFHAGHIRFLQKARALGDYLIVGIHDDQLVRESKGEHFPIMSLNERALGVLSCRYVDDVVFGAPRGVTQEMIKILDIKIVACGTSSETRNCKGAFDVYEVPKSLNLFKVVESGSDLSTDMIVERVVKNHVVLLERQFLKHMKDSEAELRKPDVYRNVREV,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCOP(=O)(O)O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCOP(=O)(O)O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.NCCOP(=O)(O)O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.0606978403536116,,,s_46cd16ccbdd3cc5f9c1b714a,test
catpreddb_kcat_kcat_c3645aa2224c55,catpred_iteration1_kcat,kcat,Q9V6K1,Q9V6K1,MFNRFRLVHKQLRLYKNFGLLGQKASVGLTLPIISLSRPYMAYMGTERSVVMITAPATKEFAESSERSNSSKKTTNKEQSDKSAESRMATSGIVESFPTGALVPKAETGVLNFLQKYPEYDGRDVTIAIFDSGVDPRATGLETLCDGKTVKVIERYDCSGCGDVDMKKKVTPDENGNIKGLSGNSLKLSPELMALNTDPEKAVRVGLKSFSDLLPSKVRNNIVAQAKLKHWDKPHKTATANASRKIVEFESQNPGEASKLPWDKKILKENLDFELEMLNSYEKVYGDIKTSYDCILFPTADGWLTIVDTTEQGDLDQALRIGEYSRTHETRNVDDFLSISVNVHDEGNVLEVVGMSSPHGTHVSSIASGNHSSRDVDGVAPNAKIVSMTIGDGRLGSMETGTALVRAMTKVMELCRDGRRIDVINMSYGEHANWSNSGRIGELMNEVVNKYGVVWVASAGNHGPALCTVGTPPDISQPSLIGVGAYVSPQMMEAEYAMRENLNVAKAADVSIYAPIFNDLLYEAEFESQMWMLFDANKALVATGDAHSHTSFTKLDKGEYTIRLQVRHEKRDLLEKISEANLVASFKLTSPLTLDFYENYNQCIVGGRKYVSSPLRLSTRVLYIAPITQERLTKANLPAQCAWLSGNLVFPQDEVGRRVAQHPFTYILNPAEKKSHTNGSSNGSSAAGSTATAAAVTTANGAKPKAPATPQAATSVTNPAAGDGISVQNDPPVDSSGSPASPKKGKANADDYAESFRDFQCSQIVKCELEMAEKIYNDVVAAHPKHLQANLLLIQNIESNQLKSQLPLTFVNAQKTSPPEAGESADKQKEDQKKVRSALERIVKLADKVIQETDSEALLSYYGLKNDTRADAAKIKTNMDKQKNTLIEALSKKGIAVAKLAVLDDCIKDSLAEINELYTEIIKFVDANDSKAIQFALWHAYAHGHYGRMYKYVVKLIEEKRTRDHFVELAAINGALGHEHIRTVINRMMITAFPSSFRLF,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.1139433523068367,,,s_1c1c49a1455f667d26349e80,test
catpreddb_kcat_kcat_c37609a35148f6,catpred_iteration1_kcat,kcat,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.2146701649892329,,,s_006f723d5d8d505a1b6694d0,test
catpreddb_kcat_kcat_c3908e2f12d352,catpred_iteration1_kcat,kcat,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,-0.4436974992327127,,,s_006f723d5d8d505a1b6694d0,test
catpreddb_kcat_kcat_c3b4f9767e1ada,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,3.589055531052344,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_c3c62af6a36db9,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.6532125137753435,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_c3ffd6dd485b0f,catpred_iteration1_kcat,kcat,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.957128197676813,,,s_65b17f02c00084bc7891919d,test
catpreddb_kcat_kcat_c412b1f3cb1fa5,catpred_iteration1_kcat,kcat,Q2T596,Q2T596,MTTAVLDAAQTARVTPFAELTDALRTAALDAAAGRIASPARLVVPLNEGGVMLSMPASAPDLAIHKLVTVCPRNRGSGLPTIQGQVSVVDPTTGAPLFALDGPTVTGRRTAAVTLLAMRTFLAAAPRDVLLIGTGTQAAHHVDALAALFPGVRVRVKARTAAQAAAFCERLRTVLPTLEPLGGDALPDALDAIITSTTSATPVYDEEARAGRLVVGVGAFTPEAAEVGARTIAGSALYVDDPAGARHEAGDLIVAGVDWARVRSLADALRAPAATRASASASTASDGPASGLPVFFKSVGCAAWDLAACRVAREFISRTRACT,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C1=NCCC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C1CCCN1,public_strict_iteration1_fulltrue_msa,1.863322860120456,,,s_2e79ab266838958367fcf03d,test
catpreddb_kcat_kcat_c42056d0de4ba7,catpred_iteration1_kcat,kcat,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.835690571492425,,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_kcat_kcat_c43122fab93d4f,catpred_iteration1_kcat,kcat,Q89CN5,Q89CN5,MSPASQIYAKITGPIVMVGFGSIGKGTLPLIERHLDYDKSRVTVIDPKDEGRKAHCEKHNVRFIQKGVTKDNYRELLTPLLTEGGGQGFCVNLSVDTGSTDIMELCNELGALYIDTVNEPWLGFYFDSSKGPEARSNYALREVTLAAKKARPAGSTTAVSCCGANPGMVSFFVKQALLNVAADLKLNAPKPKTKAEWADLMRQAGIKGIHIAERDTQRSKKPKEPDVFVNTWSVEGFLSEGVQPSELGWGTHEKWMPENARTHEAGCGAAIYLMQPGANTRVRTWCPTRGAQYGFLVTHNESISIADYFTVRDASGKAVYRPTCHYAYHPADDAVLSLHEMFGRAAKMQEKHHILDENEIVDGIDELGVLLFGHDNNAYWYGSQLSIEETRKLAPYQNATGLQVTSAVLGGMVWALENPNEGIVEADEMDFDRLLEIQLPYLGPVKGFYTDWTPLTDRPGLFPEDIDTSDPWQFRNILVR,NCCCCN.NCCCCNCCCN,NCCCCN.NCCCCNCCCN,NCCCCN.NCCCCNCCCN>>NCCCCNCCCCN.NCCCN,public_strict_iteration1_fulltrue_msa,0.0718820073061253,,,s_f0befb672f15c36d565fec4a,test
catpreddb_kcat_kcat_c47f009ae3382a,catpred_iteration1_kcat,kcat,P23468,P23468,MVHVARLLLLLLTFFLRTDAETPPRFTRTPVDQTGVSGGVASFICQATGDPRPKIVWNKKGKKVSNQRFEVIEFDDGSGSVLRIQPLRTPRDEAIYECVASNNVGEISVSTRLTVLREDQIPRGFPTIDMGPQLKVVERTRTATMLCAASGNPDPEITWFKDFLPVDTSNNNGRIKQLRSESIGGTPIRGALQIEQSEESDQGKYECVATNSAGTRYSAPANLYVRELREVRRVPPRFSIPPTNHEIMPGGSVNITCVAVGSPMPYVKWMLGAEDLTPEDDMPIGRNVLELNDVRQSANYTCVAMSTLGVIEAIAQITVKALPKPPGTPVVTESTATSITLTWDSGNPEPVSYYIIQHKPKNSEELYKEIDGVATTRYSVAGLSPYSDYEFRVVAVNNIGRGPPSEPVLTQTSEQAPSSAPRDVQARMLSSTTILVQWKEPEEPNGQIQGYRVYYTMDPTQHVNNWMKHNVADSQITTIGNLVPQKTYSVKVLAFTSIGDANYIDGYRKQNAYIATQGSLPETFGDFWRMIWEQRSATVVMMTKLEERSRVKCDQYWPSRGTETHGLVQVTLLDTVELATYCVRTFALYKNGSSEKREVRQFQFTAWPDHGVPEHPTPFLAFLRRVKTCNPPDAGPMVVHCSAGVGRTGCFIVIDAMLERIKHEKTVDIYGHVTLMRAQRNYMVQTEDQYIFIHDALLEAVTCGNTEVPARNLYAYIQKLTQIETGENVTGMELEFKRLASSKAHTSRFISANLPCNKFKNRLVNIMPYESTRVCLQPIRGVEGSDYINASFIDGYRQQKAYIATQGPLAETTEDFWRMLWEHNSTIVVMLTKLREMGREKCHQYWPAERSARYQYFVVDPMAEYNMPQYILREFKVTDARDGQSRTVRQFQFTDWPEQGVPKSGEGFIDFIGQVHKTKEQFGQDGPISVHCSAGVGRTGVFITLSIVLERMRYEGVVDIFQTVKMLRTQRPAMVQTEDQYQFSYRAALEYLGSFDHYAT,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-1.5686362358410126,,,s_a6e64cfe8486a4d777264abc,test
catpreddb_kcat_kcat_c4aa5135a3f785,catpred_iteration1_kcat,kcat,M9Z1G5,M9Z1G5,MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMTMLDGGKERTKQQFEDLAKQAGFTVFKIVARAYYCWVIELYK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12>>COc1c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c2c1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.0861861476162833,,,s_7d63982e25dfe2080c9a3604,test
catpreddb_kcat_kcat_c4ace32b9cfea0,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](N)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](N)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](N)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](N)c1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_c4e549fed8d077,catpred_iteration1_kcat,kcat,F9FRH4,F9FRH4,MVALLIFLGIFTCVETLPLSDSPSSYIPEEVPSSQTADIGLPPPTEFTLPNEDDEILIRKLNIQKTRKEILYGPSLIGKTSFFISGPLGDQISQRDQTLWSRDAAPVVQAVSHDAAAALHDIQIHGGLQNLDDYKILYQGHWSSSVPGGIAKGQFSNFTSDLLFSMERLSTNPYILRRLHPHADELPFAVDSKIVQKLTGSTLPSLHKAGRLFLADHSYQKDYVAQEGRYAAACQALFYLDDRCHQFLPLAIKTNVGSNLTYTPLDEPNDWLLAKVMFNVNDLFHGQMYHLASTHAVAEIVHLAALRTMSSRHPVLALLQRLMYQAYAIRPIGNNILFNPGGLIDQNSVFSNVAVRKFATDFYPTVAGPVRSNYFEANLRSRGLLNATHGPDLPHFPFYEDGARIIKVIRTFIQSFVKSIYKSDKVLAKDWELQAWIAEANGAAEVIDFPPTPLKKRKHLVDILTHMAWLTGVSHHVLNQGEPVTTSGVLPLHPGSLYAPVPGEKGVVDSLLPWLPNEQKSVDQISFLALFNRPQIVENNRTLRYMFNSESLLAGTVRAVAAANERFMEEMGHISQEISNRKFDDDGLSQGMPFIWTGMDPGVIPFYLSV,CCCCCC=CCC=CCCCCCCCC(=O)O.O=O,CCCCCC=CCC=CCCCCCCCC(=O)O.O=O,CCCCCC=CCC=CCCCCCCCC(=O)O.O=O>>CCCCC/C=C\C/C=C\CCCCCCC(OO)C(=O)O,public_strict_iteration1_fulltrue_msa,1.6414741105040995,,,s_0442306892007a90f6d96c43,test
catpreddb_kcat_kcat_c5246be7df7d54,catpred_iteration1_kcat,kcat,P09147,P09147,MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,1.3783979009481375,-0.8409683325186192,,s_4369495df3d7617c874a103e,test
catpreddb_kcat_kcat_c52a6cf7c7aef7,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(OC4O[C@H](CO)C(OC5O[C@H](CO)C(O)[C@H](O)[C@H]5N=C(C)O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(OC4O[C@H](CO)C(OC5O[C@H](CO)C(O)[C@H](O)[C@H]5N=C(C)O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(OC3O[C@H](CO)C(OC4O[C@H](CO)C(OC5O[C@H](CO)C(O)[C@H](O)[C@H]5N=C(C)O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O>>CC(=O)O.CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.9232440186302764,-1.1756855395004455,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_c54ded495d70d4,catpred_iteration1_kcat,kcat,Q4X1A4,Q4X1A4,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OCC(O)C(O)C(O)C(O)CO,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OCC(O)C(O)C(O)C(O)CO,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OCC(O)C(O)C(O)C(O)CO>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,0.9294189257142929,,,s_a6432c9e3ec244d8753afdde,test
catpreddb_kcat_kcat_c56b269ee91981,catpred_iteration1_kcat,kcat,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_kcat_kcat_c5732378f39c2d,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1C=CCCC1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C=CCCC1.[H+],public_strict_iteration1_fulltrue_msa,-1.3979400086720375,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_c586c9fd9a7edb,catpred_iteration1_kcat,kcat,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,public_strict_iteration1_fulltrue_msa,0.0,,,s_d053f6b16bee1b61e3a75110,test
catpreddb_kcat_kcat_c5932a2ffaaa27,catpred_iteration1_kcat,kcat,Q51366,Q51366,MTRSALVTGITGQDGAYLAKLLLEKGYRVHGLVARRSSDTRWRLRELGIEGDIQYEDGDMADACSVQRAVIKAQPQEVYNLAAQSFVGASWNQPVTTGVVDGLGVTHLLEAIRQFSPETRFYQASTSEMFGLIQAERQDENTPFYPRSPYGVAKLYGHWITVNYRESFGLHASSGILFNHESPLRGIEFVTRKVTDAVARIKLGKQQELRLGNVDAKRDWGFAGDYVEAMWLMLQQDKADDYVVATGVTTTVRDMCQIAFEHVGLDYRDFLKIDPAFFRPAEVDVLLGNPAKAQRVLGWKPRTSLDELIRMMVEADLRRVSRE,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2[nH]1>>C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)C1=O.O,public_strict_iteration1_fulltrue_msa,0.9454685851318196,-1.85325198636936,,s_f72f09970158eb8a1f747b40,test
catpreddb_kcat_kcat_c622c2a5965b73,catpred_iteration1_kcat,kcat,P23940,P23940,MEVEKEFITDEAKELLSKDKLIQQAYNEVKTSICSPIWPATSKTFTINNTEKNCNGVVPIKELCYTLLEDTYNWYREKPLDILKLEKKKGGPIDVYKEFIENSELKRVGMEFETGNISSAHRSMNKLLLGLKHGEIDLAIILMPIKQLAYYLTDRVTNFEELEPYFELTEGQPFIFIGFNAEAYNSNVPLIPKGSDGMSKRSIKKWKDKVENK,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O.O,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O.O,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O.O>>,public_strict_iteration1_fulltrue_msa,2.778151250383644,,,s_aa5d044a95a05c64b29d095f,test
catpreddb_kcat_kcat_c65679eed5a5fa,catpred_iteration1_kcat,kcat,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C/C=C/c1ccccc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C/C=C/c1ccccc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C/C=C/c1ccccc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC/C=C/c1ccccc1,public_strict_iteration1_fulltrue_msa,0.9566485792052032,,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_kcat_kcat_c656b345aea78f,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC(C)[C@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.1553360374650617,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_c66dfbc44e4399,catpred_iteration1_kcat,kcat,A0A1E1FNX1,A0A1E1FNX1,MLRRASLPHRKTTRRSFVAAALLLAFAAPAAPAVAADSPGRSAVESPAPTTRQPLGTKTLHLVDTSRPDPWKPSAGHRELMVSLWYPALPSRSDRAPYMSAALSKAMLGSEVLSGVRTHAVAGARPAPVARPLVVLSPGFQMSRLTLTALGEDLASRGYAVAALDHTYEAPVEFPGGRVEPCLICEKPDLNAVVRNRAQDIRFLLDRLTGPGGELRVDRHRIAVVGHSIGGASAVETMREDPRVGAAVNLDGDFFLDPPAKGLNRPVLLLGAQRGRDTEDSRGDWERNWPHLTGWKRWLDVPDGGHMTFTDVPWIVDRFGRPAQIPPEQVPGQFGTLGGARATALTRAYVAAFLDRQLRGRPSPLLDRPSTAYPEVTILK,CCOC(=O)/C=C(\C)c1ccc(O)c(OC)c1.O,CCOC(=O)/C=C(\C)c1ccc(O)c(OC)c1.O,CCOC(=O)/C=C(\C)c1ccc(O)c(OC)c1.O>>CCO.COc1cc(/C=C/C(=O)O)ccc1O,public_strict_iteration1_fulltrue_msa,-2.5686362358410126,,,s_11303bbb87beaeedd47209d2,test
catpreddb_kcat_kcat_c6734be49ca655,catpred_iteration1_kcat,kcat,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,Cc1nc(C)n(P(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)c1C.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,Cc1nc(C)n(P(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)c1C.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,Cc1nc(C)n(P(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)c1C.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>Cc1nc(C)c(C)[nH]1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.2479732663618066,,,s_10643db1da4d21bc18567292,test
catpreddb_kcat_kcat_c685df14922a73,catpred_iteration1_kcat,kcat,P07954,P07954,MYRALRLLARSRPLVRAPAAALASAPGLGGAAVPSFWPPNAARMASQNSFRIEYDTFGELKVPNDKYYGAQTVRSTMNFKIGGVTERMPTPVIKAFGILKRAAAEVNQDYGLDPKIANAIMKAADEVAEGKLNDHFPLVVWQTGSGTQTNMNVNEVISNRAIEMLGGELGSKIPVHPNDHVNKSQSSNDTFPTAMHIAAAIEVHEVLLPGLQKLHDALDAKSKEFAQIIKIGRTHTQDAVPLTLGQEFSGYVQQVKYAMTRIKAAMPRIYELAAGGTAVGTGLNTRIGFAEKVAAKVAALTGLPFVTAPNKFEALAAHDALVELSGAMNTTACSLMKIANDIRFLGSGPRSGLGELILPENEPGSSIMPGKVNPTQCEAMTMVAAQVMGNHVAVTVGGSNGHFELNVFKPMMIKNVLHSARLLGDASVSFTENCVVGIQANTERINKLMNESLMLVTALNPHIGYDKAAKIAKTAHKNGSTLKETAIELGYLTAEQFDEWVKPKDMLGPK,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O>>O.O=C(O)/C=C/C(=O)O,public_strict_iteration1_fulltrue_msa,2.1760912590556813,,,s_84e313c4c37758f79a6587c0,test
catpreddb_kcat_kcat_c68e9bb4b1bcaa,catpred_iteration1_kcat,kcat,J9WN12,J9WN12,MVLEIAVKAAVGAPDILGDCPFSQRALLTLEEKKIPYKSHLINLSDKPQWFLEVNPEGKVPVVKFDDKWVADSDVIVGILEEKYPEPSLATPPEFASVGSKIFPSFVKFLKSKDPNDGSEQALIEELKALDDHLKAHGPFIAGEKISAVDLSLAPKLYHLEVALAHFKNWTIPDKLTHVLNYIKLLFSRESFEKTKAAKEYIIAGWEPKVNA,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=C1CCC(=O)C1=O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=C1CCC(=O)C1=O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O.O=C1CCC(=O)C1=O>>N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,4.731427587050948,,,s_8461037d4a80ae36c1a41430,test
catpreddb_kcat_kcat_c6a73338bfd932,catpred_iteration1_kcat,kcat,P29372,P29372,MVTPALQMKKPKQFCRRMGQKKQRPARAGQPHSSSDAAQAPAEQPHSSSDAAQAPCPRERCLGPPTTPGPYRSIYFSSPKGHLTRLGLEFFDQPAVPLARAFLGQVLVRRLPNGTELRGRIVETEAYLGPEDEAAHSRGGRQTPRNRGMFMKPGTLYVYIIYGMYFCMNISSQGDGACVLLRALEPLEGLETMRQLRSTLRKGTASRVLKDRELCSGPSKLCQALAINKSFDQRDLAQDEAVWLERGPLEPSEPAVVAAARVGVGHAGEWARKPLRFYVRGSPWVSVVDRVAEQDTQA,O,O,O>>O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.8920946026904805,,,s_5458b85388810180b89d4537,test
catpreddb_kcat_kcat_c6b60141fdd8b2,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1.O,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1.O,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1.O>>N#CC(O)c1ccccc1.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.1492191126553798,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_c6e7c9a8fe1129,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1.O=C(O)CC(O)C(=O)O,CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1.O=C(O)CC(O)C(=O)O,CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1.O=C(O)CC(O)C(=O)O>>O=C(O)CC(=O)C(=O)O.[H],public_strict_iteration1_fulltrue_msa,2.2430380486862944,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_c6f170dfdc9ab6,catpred_iteration1_kcat,kcat,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,O.OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,1.8750612633917,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_c6f1b060e54476,catpred_iteration1_kcat,kcat,P9WK13,P9WK13,MSASPLKVAVTGAAGQIGYSLLFRLASGSLLGPDRPIELRLLEIEPALQALEGVVMELDDCAFPLLSGVEIGSDPQKIFDGVSLALLVGARPRGAGMERSDLLEANGAIFTAQGKALNAVAADDVRVGVTGNPANTNALIAMTNAPDIPRERFSALTRLDHNRAISQLAAKTGAAVTDIKKMTIWGNHSATQYPDLFHAEVAGKNAAEVVNDQAWIEDEFIPTVAKRGAAIIDARGASSAASAASATIDAARDWLLGTPADDWVSMAVVSDGSYGVPEGLISSFPVTTKGGNWTIVSGLEIDEFSRGRIDKSTAELADERSAVTELGLI,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],public_strict_iteration1_fulltrue_msa,2.4800069429571505,,,s_c636a6959bff03450d3c3522,test
catpreddb_kcat_kcat_c70e721098adac,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.401400540781544,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_c716bd2c9458cb,catpred_iteration1_kcat,kcat,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CCCC(=O)OCC[N+](C)(C)C.O,CCCC(=O)OCC[N+](C)(C)C.O,CCCC(=O)OCC[N+](C)(C)C.O>>CCCC(=O)O.C[N+](C)(C)CCO,public_strict_iteration1_fulltrue_msa,3.45484486000851,,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_kcat_kcat_c72ee67808f312,catpred_iteration1_kcat,kcat,Q6IP81,Q6IP81,MADPSSFASPEKFNIKHMHLKLHVDFTSRAIAASTSLTVRSLQDSLASLILDTKDLTIKKVAVNGKDATFALGTTHSFKGTPLEITLPFSLTRGQEVIVEIDSVTSPKSSALQWLNKEQTAGKIHPYLFSQCQATHCRSIIPCQDTPSVKFTYYSQVSVPKELMALMSALRDGELSEQSDSNRKIYRFKQNVPIPSYLIALVVGALEGRKVGPRTTIWTEKELLEPSVYEFAETEKMLKYAEDLAGPYVWGQYDLLILPPSFPYGGMENPCLTFVTPTVLAGDRSLASVIAHEISHSWTGNLVTNETWENFWLNEGHTVYLERRIDGRLYGEEFRQFKALGGWKELQNSVNTFGATNPLTNLVPNLHEVDVDAAFSSVPYEKGFALLFYLEQLLGGPEIFLGFLKSYIQMFAFKSVTTEEWKKFLYSYFKDKVDILDKVDWKGWMHTPGMPPVQPKYDMTLANACITLGQKWVKATESDLGSFSADDVKDLSSHQLIEVLAILLLEKPLPVSHVKRMQEVYNLNDVKNSEIRFRWLRLCIRAGWEDVIPLALAMATEQGRMKFTRPLYRDLYNFEKAREQTVNTFLKNRSFMHPVTEMLVAKDLHISAS,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O.O,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O.O,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O.O>>CCCCCCC/C=C\C/C=C\C=C\C=C\[C@H](O)[C@@H](O)CC(=O)O,public_strict_iteration1_fulltrue_msa,1.3031960574204888,,,s_075ae610bc9a7e816aa16a6b,test
catpreddb_kcat_kcat_c735d2522b46f0,catpred_iteration1_kcat,kcat,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,COc1ccc(CO)cc1OC.OO.[H+],COc1ccc(CO)cc1OC.OO.[H+],COc1ccc(CO)cc1OC.OO.[H+]>>COc1ccc(C=O)cc1OC.O,public_strict_iteration1_fulltrue_msa,-0.0655015487564322,,,s_3922a407c453485de3311bb6,test
catpreddb_kcat_kcat_c74805210a9b41,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.OCC1OC(O)C(O)C(O)C1O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.OCC1OC(O)C(O)C(O)C1O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O.OCC1OC(O)C(O)C(O)C1O>>Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.1522883443830564,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_c75724e6a961dc,catpred_iteration1_kcat,kcat,P37213,P37213,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O>>CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.9395192526186185,,,s_7b891238f481ee6cd9721941,test
catpreddb_kcat_kcat_c76068f9f1c460,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,O,O,O>>Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.089905111439398,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_c79bd0da942df2,catpred_iteration1_kcat,kcat,O50214,O50214,MKKRIGIVGAGTAGLHLGLFLRQHDVDVTVYTDRKPDEYSGLRLLNTVAHNAVTVQREVALDVNEWPSEEFGYFGHYYYVGGPQPMRFYGDLKAPSRAVDYRLYQPMLMRALEARGGKFCYDAVSAEDLEGLSEQYDLLVVCTGKYALGKVFEKQSENSPFEKPQRALCVGLFKGIKEAPIRAVTMSFSPGHGELIEIPTLSFNGMSTALVLENHIGSDLEVLAHTKYDDDPRAFLDLMLEKLGKHHPSVAERIDPAEFDLANSSLDILQGGVVPAFRDGHATLNNGKTIIGLGDIQATVDPVLGQGANMASYAAWILGEEILAHSVYDLRFSEHLERRRQDRVLCATRWTNFTLSALSALPPEFLAFLQILSQSREMADEFTDNFNYPERQWDRFSSPERIGQWCSQFAPTIAA,C=Cc1ccccc1.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.O=O,C=Cc1ccccc1.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.O=O,C=Cc1ccccc1.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1nc(O)nc(O)c1N2.O=O>>Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C.O.c1ccc(C2CO2)cc1,public_strict_iteration1_fulltrue_msa,0.2041199826559248,,,s_a084a1d1334fa8b2443c43ba,test
catpreddb_kcat_kcat_c7e9620d5b399d,catpred_iteration1_kcat,kcat,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccncc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccncc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccncc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCc1ccncc1,public_strict_iteration1_fulltrue_msa,2.028571252692537,,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_kcat_kcat_c7ffee5d76ec77,catpred_iteration1_kcat,kcat,Q8QTF3,Q8QTF3,MEGEHQYLNLVREILERGVKKDDRTGTGTLSIFGPQMRFSLRDDTIPVLTTKKIFWRGVVEELSWFIRGNTDAKELAKKKIHIWNANGSREFLDSRGLYDRAEGDLGPVYGFQWRHFGAEYDTCSSDYTGKGIDQLANILKTLRENPDDRRMIMTAWNPMDLHLMALPPCHMTAQFYVANGELSCQLYQRSGDVGLGVPFNIASYSLLTHLMASMVGLKPGEFILTLGDAHIYNTHIEVLKKQLCRVPRPFPKLRILMAPEKIEDFTIDMFYLEGYQPHSGNLQMKMAV,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21.O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O.N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)=N2,public_strict_iteration1_fulltrue_msa,0.4471580313422192,,,s_fea9e3ffbf8f28b67b0bf7c4,test
catpreddb_kcat_kcat_c81f93fce5104c,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(Cl)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(Cl)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(Cl)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)c1ccc(Cl)cc1,public_strict_iteration1_fulltrue_msa,-2.494850021680094,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_c82ce377530b0f,catpred_iteration1_kcat,kcat,P59626,P59626,MDISVEFSGHKLANVLMNASGIHCMTIKEMDELAASQAGAFVAKTATPNPRQGNEEPRYFDTPLGSINSMGLPNLGIDYYLDYQIARQKEFPEELRFLSVSGMNYEENIAILKKVQESEYTGVTEFNLSCPNLPGKPQIAYDFELTEKLLTEVFQFFTKPLGVKLPPFFDIAHFDAMAEILNKFPLVYVNSINSIGNGLYIDSDKEEVVIKPKGGFGGLGGEYVKPTALANVRAFAQRLKPEIKIIGTGGITCGKDVFEHLLCGATLVQVGTQLHQEGPQVFERLAKELQEIMAAKGYESIEEFRGKLKEM,O=C1CC(C(=O)O)NC(=O)N1.O=O,O=C1CC(C(=O)O)NC(=O)N1.O=O,O=C1CC(C(=O)O)NC(=O)N1.O=O>>O=C(O)c1cc(=O)[nH]c(=O)[nH]1.OO,public_strict_iteration1_fulltrue_msa,0.9731278535996988,,,s_3d689b9a25c332dac074a68d,test
catpreddb_kcat_kcat_c84b709a236ee6,catpred_iteration1_kcat,kcat,Q5LRT0,Q5LRT0,MLGQMMYQPLLISSLIDHAARYHGEAQIWSVSTEGGVEETNWAGIADNARRLGSVLTDAGLAPQSRVATLAWNNRRHLEIYYGVSGAGFVLHTINPRLFPEQLVYILNHAEDRILFFDATFLPLVEGIRPHLTTVERLVLMGPRDEAAAARIEGLEFYDEFVATGDAGFDWPDLDERTASSLCYTSGTTGNPKGVLYSHRSTVLHSFGSNTRDCIGFSARDVVMPVVPMFHVNAWGTPYACAMSGSCMVLPGPDLHGEALVGLIDRYRVTIALGVPTIWQGLLATARAKGSTLESLTRTVIGGAACPPSMIAEFRDRYGVDTVHAWGMSEMSPLGTTNQPLAKHGALPIEAQHKLRENQGRPPYGVELKIVDDDGNTLPNDGQTQGDLMVRGHWVLDSYFQLQDQPILSDGWFATGDVATLDRDGYMTIRDRSKDIIKSGGEWISSVELENIAVAHPKLATAAVIGVPHPKWDERPLLVAVKAEGETPDEAELLAFFDGKIAKWQVPDRVVFVEALPLNATGKVLKRTLREQFRDVLTG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CSCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CSCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CSCCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CSCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.173186268412274,,,s_a5f87fece84bb75d5e29c14c,test
catpreddb_kcat_kcat_c850a86933b823,catpred_iteration1_kcat,kcat,P76422,P76422,MKRINALTIAGTDPSGGAGIQADLKTFSALGAYGCSVITALVAQNTRGVQSVYRIEPDFVAAQLDSVFSDVRIDTTKIGMLAETDIVEAVAERLQRYQIQNVVLDTVMLAKSGDPLLSPSAVATLRSRLLPQVSLITPNLPEAAALLDAPHARTEQEMLEQGRSLLAMGCGAVLMKGGHLDDEQSPDWLFTREGEQRFTAPRIMTKNTHGTGCTLSAALAALRPRHTNWADTVQEAKSWLSSALAQADTLEVGHGIGPVHHFHAWW,Cc1ncc(COP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1ncc(COP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1ncc(COP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(=N)[nH]1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.4685210829577449,,,s_4eeba747cc3fcec30cbea4f3,test
catpreddb_kcat_kcat_c85526835ad48f,catpred_iteration1_kcat,kcat,B0V8W9,B0V8W9,MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKDIVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGHQHLVFEYLGHKFGVLICEDIWSINTVKQLSQLNVDTVLVLNSSPYEVGKPQHRKQTLSELAKQLHLNIVYVNQVGGQDDLIFDGTSFVSNQNGEIALQAPSFKEDLYIAEFDRDTKLYKVVESAPALETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAIGAERVQAVMMPYTYTSQISVEDAAEQARRMGVTFGIAEIHSIVNSFMQTLYPFFGNSPADATEENLQARARGTLLMGLSNKFGNLVLSTGNKSELSVGYCTLYGDMVGGFAVLKDVYKTIVFELAKYRNSLSETPVIPERVITRPPSAELRPDQKDQDSLPAYDVLDAILYAYIEEDLGQADIIAKGFDKEVVEKVIRLVDRNEYKRRQGAIGPRITSRAFSRERRYPIVNGWTAND,N=C(O)CC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)CC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)CC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-2.494850021680094,,,s_7c4a98d7ecd761e629472228,test
catpreddb_kcat_kcat_c8c4a70ee97ed4,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.5440680443502757,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_c8daa6c2f3e60f,catpred_iteration1_kcat,kcat,Q04797,Q04797,MGRGLHVAVVGATGAVGQQMLKTLEDRNFEMDTLTLLSSKRSAGTKVTFKGQELTVQEASPESFEGVNIALFSAGGSVSQALAPEAVKRGAIVIDNTSAFRMDENTPLVVPEVNEADLHEHNGIIANPNCSTIQMVAALEPIRKAYGLNKVIVSTYQAVSGAGNEAVKELYSQTQAILNKEEIEPEIMPVKGDKKHYQIAFNAIPQIDKFQDNGYTFEEMKMINETKKIMHMPDLQVAATCVRLPIQTGHSESVYIEIDRDDATVEDIKNLLKEAPGVTLQDDPSQQLYPMPADAVGKNDVFVGRIRKDLDRANGFHLWVVSDNLLKGAAWNSVQIAESLKKLNLV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=CCC(O)C(=O)[O-].O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-1.3979400086720375,,,s_06336e7cf06f5e32c70f215a,test
catpreddb_kcat_kcat_c91a4b26386f42,catpred_iteration1_kcat,kcat,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(C=CC=O)cc(OC)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC=O)cc(OC)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC=O)cc(OC)c1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>COc1cc(C=CCO)cc(OC)c1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.5314789170422551,,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_kcat_kcat_c921a50d606dcd,catpred_iteration1_kcat,kcat,E9LVI0,E9LVI0,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.870403905279027,,,s_622f654e005640bab6abcb8a,test
catpreddb_kcat_kcat_c93958079a0f90,catpred_iteration1_kcat,kcat,F8KAY7,F8KAY7,MSRFIRASQRRTLLATLIAATLAQPLLAAESLDSKPASAITAAKNAEVLKNLPFADREEFEAAKRGLIAPFSGQIKNAEGQVVWDMGAYQFLNDKDAADTVNPSLWHQAQLNNIAGLFEVMPKLYQVRGLDPANMTIIEGDSGLVLIDTLTTAETARAALDLYFQHRPKKPIVAVVYSHSHIDHFGGARGIIDEADVKAGKVKVFAPSGFMEHAVSENILAGTAMARRGQYQSGVMVPRGAQAQVDSGLFKTTATNATNTLVAPNVLIEKPYERHTVDGVELEFQLTLGSEAPSDMNIYLPQFKVLNTADNAPPAMHNLLTPRGAEVRDAKAWAGYIDASLEKYGDRTDVLIQQHNWPVWGGDKVRTYLADQRDMYAFLNNRALNLMNKGLTLHEIAAEVSKLPGELDRKWYLRSYYGALSTNLRAVYQRYLGFYDGNPANLDPFPPVEAGKRYVEAMGGADAVLKQMRAAIDKGDYRWAVQLGNHLVFADPANKDARALQADAMEQLGYQTENALWRNMYMTGAMELRHGVPTYDSRGKSEMGRALTPDMFFDLLAIRLDTDKAVGHDMTLNWVFEDLKQDIALTLRNGVLTQRVGSLNPKADVTVKLTKPTLDQIAARKLDLPTAIKQGTVKLDGDGKKLGEFFGLLDSFSPKFNIVEPLE,CCCCCC[C@@H](C)OS(=O)(=O)O.O,CCCCCC[C@@H](C)OS(=O)(=O)O.O,CCCCCC[C@@H](C)OS(=O)(=O)O.O>>CCCCCC[C@H](C)O.O=S(=O)([O-])[O-],public_strict_iteration1_fulltrue_msa,0.6404814369704218,,,s_216fa5d4fb38cba1bff072cb,test
catpreddb_kcat_kcat_c94a89bb152b91,catpred_iteration1_kcat,kcat,D6XUS4,D6XUS4,MKPYLKEDPWSIIEEGFDKDKHEISESVFSLGNGHMGQRANFEETYTGSTLQGSYMAGVYYPDKTRVGWWKNGYPEYFAKVLNATNWIGLDISVDGTELDLNRAEVNDFVRELNMKEGYLKRSFRATIADGKDIKVEATRFVSVAMKEIGAIEYKITPLTFDGELTLRSYLDGDIMNKDANYDEKFWSKVSESAEGSRAHVTVKTKKLDFVYASLKETKVVHAGEEISPAECKTAEKYAEVTFTAPLKKNEATTIYKFAANVTNRDHEDQKLLDVAKEKLNQAIEKGFDTLKKEQADEWNKKWEDSDIVIEGDVAAQQGIRFNIFQMNQTYTGEDARLNIGPKGFTGEKYGGSTYWDTEAYCLPFYLATADQRIPKNLLVYRHNHLEKAKENAGKLGFTKGALYPMVTMNGEESHNEWEITFEEIHRNGAIAYAIYNYVNYTGDKSYIGELGIEVLVEISRFWEERVHYVPKKDVYMMHGVTGPNEYENNVNNNWYTNRIASWTLEYTLFALDYLKDSDPELYKKWITKLDLKDHETEKWLTIIDKMYYPEDKENGIFLQADNFEDKEIMPVSDLDEKHLPLNQNWSWDRILRSCFIKQADVLQGMYFLNHEFDIETKKRNFDYYEPMTVHESSLSPCVHSILACELGYKEKAYEMYLRTARLDLDNYNNDTEDGCHITSMAGTWMSVVEGFGGMKVKNDQLILNPFIPGQWSSFSFKVVFRGTRLLIKVTQDQVVVNNETDVKADLVIHGETYSLDGKGELSINH,O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)O.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.089905111439398,,,s_c22cc2f9542b8c837fc60478,test
catpreddb_kcat_kcat_c95953ad22745e,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1CCCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-0.978810700930062,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_c95b87b1c1f444,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1[N+](=O)[O-].[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccc1[N+](=O)[O-].[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])c1ccccc1CO,public_strict_iteration1_fulltrue_msa,2.8195439355418688,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_c98ea02bf5dd9e,catpred_iteration1_kcat,kcat,Q9I5F3,Q9I5F3,MSRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAVTEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFSVPSGLKAWIDQIVRLGVTFDFVLDNGVAQYRPLLRGKRALIVTSRGGHGFGPGGENQAMNHADPWLRTALGFIGIDEVTVVAAEGEESGGRSFEDSCDEAEQRLLALARSA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCNC(=O)c1ccc(N/N=C2/C=CC(=O)C(C(=O)O)=C2)cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCNC(=O)c1ccc(N/N=C2/C=CC(=O)C(C(=O)O)=C2)cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCNC(=O)c1ccc(N/N=C2/C=CC(=O)C(C(=O)O)=C2)cc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.5658478186735176,,,s_b4a31a08446712d2d07ed420,test
catpreddb_kcat_kcat_c99b7b934ac5da,catpred_iteration1_kcat,kcat,V9SDP6,V9SDP6,MSIPTTQKGVIFYENGGQLYYKDIPVPKPKSNELLINVKYSGVCHTDLHAWKGDWPLDTKLPLVGGHEGAGVVVAMGDNVKGWKIGDLAGIKWLNGSCMNCEECELSNESNCPDADLSGYTHDGSFQQYATADAVQAAHIPAGTDLAQVAPILCAGVTVYKALKTAEMKAGDWVAISGAAGGLGSLAVQYAKAMGFRVLGIDGGEGKEELFKSLGGEVFIDFTKSKDIVGEVIKATNGDAHGVINVSVSEKAIESSIEYCRSNGTVVLVGLPKDAKCKSDVFNQVVKSIHIVGSYVGNRADTREALDFFCRGLVHA,CCO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CCO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CCO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,0.6532125137753437,,,s_afee1ae86793f42c1d3745de,test
catpreddb_kcat_kcat_c9c8d3c8d42297,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C.O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_c9cdb0ce8a1fde,catpred_iteration1_kcat,kcat,A9XWD7,A9XWD7,MSIETNTYDVIVVGSGAGAMLAAARAHDLGLSVLVVEKSDKYGGTSAVSGGAVWIPNNSQMQIKDSFDEALTYLKAATQGLVAEDRLLAYLESAPQMVEYINANMTLQYFPCHRYPDYYQHLPGAKPGGRTMEPMLFDAALLGDEFANLRMAYTGTLLMGKASMTATEAHVMLAKEPGWMLQVIKSLGRYYLDLPWRLKSRHDRKRGLGNAMAAGLRHALLERKVPLWLNTPFESLITEGAENKRVTGIVVKRNGQTLQLTARRGVVLGAGGFERNQQMREQYLPKPTNAAWSATPPHNTGDTIRAAMDIGARAELMDWAWWVPSIHVPGEAAQTGLFAERNLPGCIVVNGKGQRFINEASPYLEFGAAMYENHARSGSAVPAWLIFDGKFRYNYPMGPLMPGQIQPDRKAWLGKVYWRDDTLEGLAKQIGVDAAGLKQSVELNNQYAQDGKDREFDKGGNVFDRYYGDYNVKPNPCLAPIGKPPYYAMRVDAGDIGTKGGLLTDKDARVLDESDRPIEGLYCIGNNSASVMGKAYPGAGGTLGPAMTFGFRAANHIAASK,COS(=O)(=O)[O-].C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.C[n+]1c2ccccc2nc2ccccc21,COS(=O)(=O)[O-].C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.C[n+]1c2ccccc2nc2ccccc21,COS(=O)(=O)[O-].C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.C[n+]1c2ccccc2nc2ccccc21>>CN1c2ccccc2Nc2ccccc21.COS(=O)(=O)O.C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,public_strict_iteration1_fulltrue_msa,1.6637009253896482,,,s_be9cc8c9d1978052c4026337,test
catpreddb_kcat_kcat_c9d50ee12a8930,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O>>Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,2.9138138523837167,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_ca049da35d0a86,catpred_iteration1_kcat,kcat,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O.O=C(O)/C=C(/CCCCCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCCCCC(=O)O)C(=O)O,O.O=C(O)/C=C(/CCCCCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,0.7481880270062004,,,s_d45e89fa98a913150cf54b5f,test
catpreddb_kcat_kcat_ca468076573628,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,-1.0757207139381184,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_ca58ff94cb8c2e,catpred_iteration1_kcat,kcat,Q9SCP7,Q9SCP7,MENESSESRNRARLAIMELANMISVPMSLNAAVRLGIADAIWNGGANSPLSAAEILPRLHLPSHTTIGGDPENLQRILRMLTSYGVFSEHLVGSIERKYSLTDVGKTLVTDSGGLSYAAYVLQHHQEALMRAWPLVHTAVVEPETEPYVKANGEAAYAQYGKSEEMNGLMQKAMSGVSVPFMKAILDGYDGFKSVDILVDVGGSAGDCLRMILQQFPNVREGINFDLPEVVAKAPNIPGVTHVGGDMFQSVPSADAIFMKWVLTTWTDEECKQIMKNCYNALPVGGKLIACEPVLPKETDESHRTRALLEGDIFVMTIYRTKGKHRTEEEFIELGLSAGFPTFRPFYIDYFYTILEFQK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cccnc1,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cccnc1,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cccnc1>>C[n+]1cccc(C(=O)O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.5465426634781311,,,s_7725f2f284e55d185366ddc0,test
catpreddb_kcat_kcat_ca6e92fe9ad59d,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.287801729930226,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_ca7fb0a74c642d,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CCCCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCC(O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.204119982655925,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_ca95f6b7cc0f58,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NC(CSCSCC(N)C(=O)O)C(=O)O.O,NC(CSCSCC(N)C(=O)O)C(=O)O.O,NC(CSCSCC(N)C(=O)O)C(=O)O.O>>CC(=O)C(=O)O.N.N[C@@H](CSCS)C(=O)O,public_strict_iteration1_fulltrue_msa,1.6989700043360187,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_caa575e663ed57,catpred_iteration1_kcat,kcat,A0A0D4C3L0,A0A0D4C3L0,MGYEKSGYRESDGIYDSSFPSIPTPRDIDVTTYCIFQQQYGDRVALIDAVTGAKLTYSELRSAIDSVAAGLAQSGVKQGDVVMICMPNSIHWPILLFGSLRIGAVVTTANPVGNVQEIGRQAKDSRTAYLITVPELCGKLASLNIPLVLNDMDSLGNKKQFHGAAFARFSELLKADRKKVPQVRIKEKDTATLLYSSGTTGASKGVILTHLNLVESINQRMVADPRSFQVAEEVQIYGVIIPLFHVMGMMAICMPTLRKGDQMVVFPKFDLAEMLGAVQRFRITGLALVPPILVLLSKSPLVEKYDLSSLQLIGFGAAPAGDLSGVSKRFRGVYLRQGYGMTETASSGTGVPLEDVDYANKHNSCGLLVPNMQAKVVDVLTGKPLPPGKEGELWLRGLNVMKGYLNNEKATAETLDKDGWLHTGDLAKIDERGFVYIVDRLKELIKYKGFQVAPAELESILLSHSDIMDAAVVPFPDEEAGEIPVAFVVRRPGTTLTGNSIMEFVASKVSPYKKIRRVIFVDTIPKLESGKILRKELKSKLLPSSKL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.6655462488490691,,,s_a0b0bb48fa1855371fae3dab,test
catpreddb_kcat_kcat_cabb35e79283fa,catpred_iteration1_kcat,kcat,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,COc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@@H]3O[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H]2O)ccc1O.O,COc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@@H]3O[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H]2O)ccc1O.O,COc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@@H]3O[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H]2O)ccc1O.O>>COc1cc(/C=C/C(=O)O)ccc1O.OC[C@@H]1O[C@@H](OC[C@@H]2OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.7810369386211319,,,s_c30215f5949a041d7b73c98a,test
catpreddb_kcat_kcat_caf183af01c5e6,catpred_iteration1_kcat,kcat,Q5JDG9,Q5JDG9,MKLDVIGIGNLNYDIIFTLERFPEFHEKINARGAHFGLGGAAANTISWLAHFGLKTGYIGAVGNDDVGEMHIKYFQGIGVDTGGIDVVEEPSGVAVAMVAGDDKRIVKYPGANLRRRFKPEYASRAKFLHLSSNPPELIEEAVNFASQRGIKVSLDIGEAPLPRELESKVDYLMMNEDEYRRKYGSLDPSLCRAKNLVVTLNGGGALVREGDNVFEVRGLSAKVVDSTGAGDSFDAGVIYGVLNGWSLLDSAKLGMLLAYLTVQKVGARSAIVPLEEVKRIAREVGLDLPFNRT,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.2764618041732443,,,s_f908f38bc94d284bc9412649,test
catpreddb_kcat_kcat_cb043eb462136b,catpred_iteration1_kcat,kcat,P0A790,P0A790,MIRTMLQGKLHRVKVTHADLHYEGSCAIDQDFLDAAGILENEAIDIWNVTNGKRFSTYAIAAERGSRIISVNGAAAHCASVGDIVIIASFVTMPDEEARTWRPNVAYFEGDNEMKRTAKAIPVQVA,NC(CC(=O)O)C(=O)O,NC(CC(=O)O)C(=O)O,NC(CC(=O)O)C(=O)O>>NCCC(=O)O.O=C=O,public_strict_iteration1_fulltrue_msa,-0.2441251443275086,-0.7132606051104146,,s_d96b5b2c133057de43d61b1a,test
catpreddb_kcat_kcat_cb127138f0aa04,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCC/C=C\CCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_cb12fe4e162e8a,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCC(O)CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.1238516409670858,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_cb18deed78323a,catpred_iteration1_kcat,kcat,Q9WYP5,Q9WYP5,MRIGVIGLGRIGTIHAENLKMIDDAILYAISDVREDRLREMKEKLGVEKAYKDPHELIEDPNVDAVLVCSSTNTHSELVIACAKAKKHVFCEKPLSLNLADVDRMIEETKKADVILFTGFNRRFDRNFKKLKEAVENGTIGKPHVLRITSRDPAPPPLDYIRVSGGIFLDMTIHDFDMARYIMGEEVEEVFADGSVLVDEEIGKAGDVDTAVVVLRFKSGALGVIDNSRRAVYGYDQRIEVFGSKGRIFADNVRETTVVLTDEQGDRGSRYLYFFLERYRDSYLEELKTFIKNVKSGEPPAVSGEDGKMALLLGYAAKKSLEEKRSVKLEEVIG,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H+],public_strict_iteration1_fulltrue_msa,0.0,,,s_765aec556273a98ca5c2856e,test
catpreddb_kcat_kcat_cb48ad15e8a0ce,catpred_iteration1_kcat,kcat,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)nc1O.O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,0.041392685158225,,,s_3be5357697ef18007ae0960b,test
catpreddb_kcat_kcat_cb4a72acc03420,catpred_iteration1_kcat,kcat,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.O,CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.O,CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.O>>CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O.CCO,public_strict_iteration1_fulltrue_msa,0.7226339225338123,,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_kcat_kcat_cb5bbb6924d595,catpred_iteration1_kcat,kcat,P20445,P20445,MAPKVGINGFGRIGRIVFRNAIEAGTVDVVAVNDPFIETHYAAYMLKYDSQHGQFKGTIETYDEGLIVNGKKIRFHTERDPANIPWGQDGAEYIVESTGVFTTQEKASAHLKGGAKKVVISAPSADAPMFVMGVNNETYKKDIQVLSNASCTTNCLAPLAKVINDNFGIIEGLMTTVHSYTATQKVVDGPSAKDWRGGRTAATNIIPSSTGAAKAVGKVIPSLNGKLTGMAMRVPTSNVSVVDLTVRTEKAVTYDQIKDAVKKASENELKGILGYTEDDIVSTDLNGDTRSSIFDAKAGIALNSNFIKLVSWYDNEWGYSRRVVDLITYISKVDAQ,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CC(O)COP(=O)(O)O.O=P(O)(O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CC(O)COP(=O)(O)O.O=P(O)(O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=CC(O)COP(=O)(O)O.O=P(O)(O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(OP(=O)(O)O)C(O)COP(=O)(O)O.[H],public_strict_iteration1_fulltrue_msa,5.450249108319361,,,s_413fe08ecc98d0498e914794,test
catpreddb_kcat_kcat_cb9333b18ae145,catpred_iteration1_kcat,kcat,A0A2U9N624,A0A2U9N624,MGSESLVHVFLVSFIGQGHVNPLLRLGKRLAAKGLLVTFCTAECVGKEMRKSNGITDEPKPVGDGFIRFEFFEDRWAEDEPMRQDLDLYLPQLELVGKEVIPEMIKKNSEQGRPVSCLINNPFIPWVCDVAESLGLPSAMLWVQSAACLAAYYHYYHGLVPFPSESDMFCDVQIPSMPLLKYDEVPSFLYPTSPYPFLRRAILGQYGNLEKPFCILMDTFQELESEIIEYMACLCPIKAVGPLFKNPKAQNAVRGDFMKADDSIIGWLDTKPKSSVVYISFGSVVYLKQEQVDEIAHGLLSSGVSFIWVMKPPHPDSGFELLVLPEGFLEKAGDRGKVVQWSPQEKILEHPSTACFVTHCGWNSTMESLTSGMPVVAFPQWGDQVTDAKYLVDEFKVGVRMCRGEAEDRVIPREEVEKCLLEATSGPKAAEMKQNALKWKAAAEAAFSEGGSSDRNLQAFVDEVRRISASLNSKSSAVGYVKSKINGVVEYVDSKLNGKAAPVEGAKTRTNGIAKVEEPKAANGKVEIAELTPINGKVEIAGLKPINGKVELVES,O=C(O)c1cc(O)c(O)c(O)c1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(O)c1cc(O)c(O)c(O)c1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=C(O)c1cc(O)c(O)c(O)c1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.041392685158225,,,s_6a314246aab04833071d364b,test
catpreddb_kcat_kcat_cba0078f23120f,catpred_iteration1_kcat,kcat,P56742,P56742,MNVFFMFSLLFLAALGSCAHDRNPLEECFRETDYEEFLEIAKNGLTATSNPKRVVIVGAGMAGLSAAYVLAGAGHQVTVLEASERVGGRVRTYRKKDWYANLGPMRLPTKHRIVREYIKKFDLKLNEFSQENENAWYFIKNIRKRVREVKNNPGLLEYPVKPSEEGKSAAQLYVESLRKVVKELKRTNCKYILDKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFGYEKRFDEIVGGMDQLPTSMYEAIKEKVQVHFNARVIEIQQNDREATVTYQTSANEMSSVTADYVIVCTTSRAARRIKFEPPLPPKKAHALRSVHYRSGTKIFLTCKKKFWEDDGIRGGKSTTDLPSRFIYYPNHNFTSGVGVIIAYGIGDDANFFQALDFKDCADIVINDLSLIHQLPKEDIQTFCRPSMIQRWSLDKYAMGGITTFTPYQFQHFSEALTAPFKRIYFAGEYTAQFHGWIDSTIKSGLTAARDVNRASENPSGIHLSNDNEF,N[C@@H](Cc1ccccc1)C(=O)O.O.O=O,N[C@@H](Cc1ccccc1)C(=O)O.O.O=O,N[C@@H](Cc1ccccc1)C(=O)O.O.O=O>>N.O=C(O)C(=O)Cc1ccccc1.OO,public_strict_iteration1_fulltrue_msa,0.8312296938670634,,,s_f9506aedb3f92081e7f38e21,test
catpreddb_kcat_kcat_cc179170fc9450,catpred_iteration1_kcat,kcat,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC([O-])=NCCS(=O)(=O)O)c(CCC([O-])=NCCS(=O)(=O)O)c2C)N=C1O.O=O,C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC([O-])=NCCS(=O)(=O)O)c(CCC([O-])=NCCS(=O)(=O)O)c2C)N=C1O.O=O,C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC([O-])=NCCS(=O)(=O)O)c(CCC([O-])=NCCS(=O)(=O)O)c2C)N=C1O.O=O>>,public_strict_iteration1_fulltrue_msa,2.367355921026019,,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_kcat_kcat_cc3694c3134ad9,catpred_iteration1_kcat,kcat,O00763,O00763,MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQRNGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGTGTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSVAGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKLPELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGKRISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQVQSEIPGSPIFLMKLAQHARHLTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIRENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C([O-])O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C([O-])O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C([O-])O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.0718820073061257,,,s_2f44ab60f356ab1568187475,test
catpreddb_kcat_kcat_cc967370a1007a,catpred_iteration1_kcat,kcat,P76469,P76469,MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGERGVGASVARAARWGRIENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDTMLYSDALDQRLAMFKSGKNGPRIKGSY,CCC(O)CC(=O)C(=O)O,CCC(O)CC(=O)C(=O)O,CCC(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,2.6503075231319366,-1.3010299956639813,,s_1eea168d88c64a23075eba19,test
catpreddb_kcat_kcat_cc9d306a7f40b6,catpred_iteration1_kcat,kcat,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,O=O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[K+].[K+].[K+].[K+],O=O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[K+].[K+].[K+].[K+],O=O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[K+].[K+].[K+].[K+]>>O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3].[K+].[K+].[K+],public_strict_iteration1_fulltrue_msa,2.5728716022004803,,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_kcat_kcat_ccbc7cd0884468,catpred_iteration1_kcat,kcat,Q38UH2,Q38UH2,MLNTENYEFWFVTGSQSLYGEETLRSVEKDAKEIVEKLNASHQLPYPIVFKLVATTADNITKVMKEANYNDHVAGVITWMHTFSPAKNWIRGTKLLQKPLLHLATQFLNKIPYDTIDFDYMNLNQSAHGDREYAFINARLRKNNKIISGYWGDEDVQKAMAKWMDVAVAYNESFKIKVVTFADKMRNVAVTDGDKVEAQIKFGWTVDYWGVGDLVAEVNAVSEADIDAKYADLQKEYDFVEGQNTPEKFEHNVKYQIREYFGLKKFMDDRGYTAFTTNFEDLVGLEQLPGLAAQLLMAEGYGFAGEGDWKTAALDRLLKIMAHNEKTVFMEDYTLDLRQGHEAILGSHMLEVDPSIASDKPRVEVHPLDIGDKDDPARLVFTGMQGDAVDVTMADYGDEFKLMSYDVRGNKPEADTPHLPVAKQLWTPKQGLREGAVGWLTVGGGHHTVLSFAVDSEQLQDLSHLFDLTYVNIK,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O>>OCC1(O)OCC(O)C1O,public_strict_iteration1_fulltrue_msa,5.089269093046149,1.5003666689916375,,s_3abfebb2bc1f3a1b932e0e8f,test
catpreddb_kcat_kcat_ccf0c8e4f6b1b5,catpred_iteration1_kcat,kcat,A8AAX2,A8AAX2,MSENPLESLKVKRRELDKLDKEILRLLKRRFEIVKEITDTKKNLGLPVYDRDREEEVMVTRTVWGLELGIPQEFTKEMFKMILEESKKIQLYTPEKVYVGIYGYGGMGEQLVKVFSRAGHRVVVTGRNLEKAEGLAKRFKVEWGEPKEVAKEVEWLILAVPPKAVPGLVKELAPLMRSGALLSDISSVKKTLVEEVLKVLPEYIEYISLHPLFGPEVEPLGETVVVVPVKSYDYWVRLVQNIFVSMGFEVITSTPEEHDRAMAVTQVLHHFALVSLDEAAKKLSKEYGVDYMRYATRSFKKTLETIQRLKELSEVIDEIQEMNEYAAHAREEFLKVASQMDKRWRKGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C(=O)Cc1ccc(O)cc1.O=C=O.[H+],public_strict_iteration1_fulltrue_msa,1.1760912590556811,,,s_1fd33a5fb1335a22b4e2aa22,test
catpreddb_kcat_kcat_cd0a91d8b437ba,catpred_iteration1_kcat,kcat,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,CSCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(=O)O)[C@@H](C)O.O,CSCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(=O)O)[C@@H](C)O.O,CSCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(=O)O)[C@@H](C)O.O>>,public_strict_iteration1_fulltrue_msa,-0.585026652029182,,,s_874a36db5b07813dd2a06872,test
catpreddb_kcat_kcat_cd2398f5229b06,catpred_iteration1_kcat,kcat,F7IX06,F7IX06,MSVTTPRRETSLLSRALRATAAAATAVVATVALAAPAQAANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVEEYRSTCPF,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.3138672203691534,,,s_e806085a30d0427b3ece1df8,test
catpreddb_kcat_kcat_cd283c5ff1ea59,catpred_iteration1_kcat,kcat,P0A862,P0A862,MSQTVHFQGNPVTVANSIPQAGSKAQTFTLVAKDLSDVTLGQFAGKRKVLNIFPSIDTGVCAASVRKFNQLATEIDNTVVLCISADLPFAQSRFCGAEGLNNVITLSTFRNAEFLQAYGVAIADGPLKGLAARAVVVIDENDNVIFSQLVDEITTEPDYEAALAVLKA,CC(=O)N1c2ccc(O)cc2Oc2cc(O)ccc21.CC(C)(OO)c1ccccc1,CC(=O)N1c2ccc(O)cc2Oc2cc(O)ccc21.CC(C)(OO)c1ccccc1,CC(=O)N1c2ccc(O)cc2Oc2cc(O)ccc21.CC(C)(OO)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,1.8457180179666584,,,s_d2d36757009aee3099233bfa,test
catpreddb_kcat_kcat_cd4b2752786116,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.6901960800285136,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_cd626c9c41075c,catpred_iteration1_kcat,kcat,Q6U1I3,Q6U1I3,MEKPIFVTQPNLPPLEEFIPYLEIIWQNKQFTNNGPMHQKLEKKLCEFLGVEYISLFNNGTIALITAVQALGVKGEVITTPYSFVATAHSLVLNGLKPVFVDIDPKTLNIDPRRIEEAITPETQAIMPVHCYGNPCDTQAIADIAQKYNLKVIYDAAHAFGVEDDDGSVLRHGDLSVLSFHATKVFSTFEGGAIVCNSKEMKEKIDRLKNFGYIDETNINIIGSNGKMSEVNAAFGLLQLEHMDTFLRGRMNADMFYRQKLKDITGISIVIPSGQKISNFSYFPILVESDFPLSRDELFNYLKNQNIFARRYFYPVIPDFQAYLNVGEVCDVKNAREIASKVLCLPMHAELSSDILEYIVSTIREIK,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1O.N[C@@H](CCC(=O)O)C(=O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1O.N[C@@H](CCC(=O)O)C(=O)O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1O.N[C@@H](CCC(=O)O)C(=O)O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)[C@@H](N)[C@H](O)[C@H]3O)O2)c(=O)nc1O.O=C(O)CCC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.1307682802690238,,,s_2df2c3c518ba6b7ea0da618f,test
catpreddb_kcat_kcat_cd7a0179e244c8,catpred_iteration1_kcat,kcat,P04181,P04181,MFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTILSF,CC(O)=N[C@@H](CCCN)C(=O)O.O=C(O)CCC(=O)C(=O)O,CC(O)=N[C@@H](CCCN)C(=O)O.O=C(O)CCC(=O)C(=O)O,CC(O)=N[C@@H](CCCN)C(=O)O.O=C(O)CCC(=O)C(=O)O>>CC(O)=N[C@@H](CCC=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.5526682161121932,,,s_58788980d9e3f8d588063d04,test
catpreddb_kcat_kcat_cd9faf04736aab,catpred_iteration1_kcat,kcat,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-0.6020599913279624,,,s_d03200ffedefa96a991b2b1a,test
catpreddb_kcat_kcat_cdb335dcea09fa,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCCCCCCCC(=O)[O-],public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_cdc3d63ed2463f,catpred_iteration1_kcat,kcat,Q8KZT3,Q8KZT3,MPLITTETGKKMHVLEDGRKLITVIPGDGVGPECVEATLKVLEAAKAPLAYEVREAGASVFRRGIASGVPQETIESIRKTRVVLKGPLETPVGYGEKSANVTLRKLFETYANVRPVREFPNVPTPYAGRGIDLVVVRENVEDLYAGIEHMQTPSVAQTLKLISWKGSEKIVRFAFELARAEGRKKVHCATKSNIMKLAEGTLKRAFEQVAQEYPDIEAVHIIVDNAAHQLVKRPEQFEVIVTTNMNGDILSDLTSGLIGGLGFAPSANIGNEVAIFEAVHGSAPKYAGKNVINPTAVLLSAVMMLRYLEEFATADLIENALLYTLEEGRVLTGDVVGYDRGAKTTEYTEAIIQNLGKTPRKTQVRGYKPFRLPQVDGAIAPIVPRSRRVVGVDVFVETNLLPEALGKALEDLAAGTPFRLKMISNRGTQVYPPTGGLTDLVDHYRCRFLYTGEGEAKDPEILDLVSRVASRFRWMHLEKLQEFDGEPGFTKAQGED,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CCC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CCC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CCC(C(=O)O)C(O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCCC(=O)C(=O)O.O=C=O.[H],public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_3c7f8e07386ae675c0ef0fed,test
catpreddb_kcat_kcat_cdc8b336ff9e11,catpred_iteration1_kcat,kcat,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,CCCCO.COC(=O)/C=C/c1ccc(O)c(O)c1,CCCCO.COC(=O)/C=C/c1ccc(O)c(O)c1,CCCCO.COC(=O)/C=C/c1ccc(O)c(O)c1>>CCCCOC(=O)/C=C/c1ccc(O)c(O)c1.CO,public_strict_iteration1_fulltrue_msa,0.6812412373755872,,,s_c30215f5949a041d7b73c98a,test
catpreddb_kcat_kcat_cddabf8c21c4de,catpred_iteration1_kcat,kcat,C3SBW0,C3SBW0,METKQTKKEAVANLIKRIEHGEVSDEEIRGMMKIQVQKRLKWGYKPTHEQQLAQLVTFAQSLKGMEMAEEVDTLDAELYEIPLPFLHIMCGKTLKFSPGYFKDESTTLDESEVYMMDLYCERAQIKDGQSILDLGCGHGSLTLHVAQKYRGCKVTGITNSVSQKEFIMDQCKKLDLSNVEIILEDVTKFETEITYDRIFAVALIEHMKNYELFLKKVSTWIAQYGLLFVEHHCHKVFAYQYEPLDEDDWYTEYIFPSGTLVMSSSSILLYFQEDVSVVNHWTLSGKHPSLGFKQWLKRLDDNIDEVKEIFESFYGSKEKAMKFITYWRVFCIAHSQMYSTNNGEEWMLSQVLFKKK,COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1C.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-4.327902142064283,,,s_7a870cc35d7e02400d67e657,test
catpreddb_kcat_kcat_cde49ea9315489,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O,CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O,CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O>>CCC(=O)O.CCC(=O)OCC(CO)OC(=O)CC,public_strict_iteration1_fulltrue_msa,2.3521825181113627,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_ce170dfa586d48,catpred_iteration1_kcat,kcat,H3ZMH5,H3ZMH5,MFADHVFHVVDTHTEGEPTRIVLSGVNVKGEDIIEKREYFKEHYDWIRTALLHEPRGHSDQFGAVLVPSDIADFGVIYMDTSGYLDMCGHATMGVATVLVELGIIEKKEPYTTVKLETPAGLVEAKAKVKGGVVKEVTVVDVPSFYVGEFVIEYPGRGKIKVDVAFGGNFYVIADARDLGLRVRREYIKELIPTALKLIKVANEQIKVQHPRKGVQNRINLAMLTDEPEREDSDGKNVVIWGEGSVDRSPCGTGSASRVATLYSKGILKEGDIFVHESILGTQFRIKIVGTTKIGEYTAIIPEITGSAYITKISQDIISKNDPLWKGFLLR,O=C(O)[C@H]1NCC[C@@H]1O,O=C(O)[C@H]1NCC[C@@H]1O,O=C(O)[C@H]1NCC[C@@H]1O>>O=C(O)[C@@H]1NCC[C@H]1O,public_strict_iteration1_fulltrue_msa,0.5563025007672873,-0.2992962828549806,,s_439f7553837807af96852cc3,test
catpreddb_kcat_kcat_ce57fa7400dc9f,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.0457574905606751,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_ce5c4630c418ee,catpred_iteration1_kcat,kcat,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCCNCCCN.O,CC(O)=NCCCCNCCCN.O,CC(O)=NCCCCNCCCN.O>>CC(=O)O.NCCCCNCCCN,public_strict_iteration1_fulltrue_msa,-0.2365720064370627,,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_kcat_kcat_ce6d4f3fd5a0bf,catpred_iteration1_kcat,kcat,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCCCC(O)CC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCCCC(O)CC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CCCCCCCC(O)CC(=O)O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CCCCCCCC(O)CC(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.2225731776106886,,,s_7c84c2d6fea9905641654dda,test
catpreddb_kcat_kcat_ce8e0eef060720,catpred_iteration1_kcat,kcat,P00469,P00469,MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1>>Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O.Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,public_strict_iteration1_fulltrue_msa,0.9030899869919436,,,s_8872a5ded9b1f61cb4b520ad,test
catpreddb_kcat_kcat_cede7a29bcfeb9,catpred_iteration1_kcat,kcat,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-].O,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-].O,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-].O>>,public_strict_iteration1_fulltrue_msa,0.6334684555795865,,,s_27531fb3688217415c49ec38,test
catpreddb_kcat_kcat_cee00ae8bde505,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21.O,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21.O,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21.O>>,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_cefc18f0137f3e,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)Oc1ccc([N+](=O)[O-])cc1.NN=c1[nH]ncc2ccccc12,CC(=O)Oc1ccc([N+](=O)[O-])cc1.NN=c1[nH]ncc2ccccc12,CC(=O)Oc1ccc([N+](=O)[O-])cc1.NN=c1[nH]ncc2ccccc12>>CC(O)=NNc1nncc2ccccc12.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-1.2006594505464183,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_cf023659c6ba1d,catpred_iteration1_kcat,kcat,E5BBQ3,E5BBQ3,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,O.O=C([O-])c1ccc(C(=O)OCCO)cc1,O.O=C([O-])c1ccc(C(=O)OCCO)cc1,O.O=C([O-])c1ccc(C(=O)OCCO)cc1>>OCCO,public_strict_iteration1_fulltrue_msa,-0.5086383061657274,,,s_622f654e005640bab6abcb8a,test
catpreddb_kcat_kcat_cf0329cc9b7c7b,catpred_iteration1_kcat,kcat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public_strict_iteration1_fulltrue_msa,2.2624510897304293,,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_kcat_kcat_cf0bd187619bb1,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O,CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O,CCC(=O)OCC(COC(=O)CC)OC(=O)CC.O>>CCC(=O)O.CCC(=O)OCC(CO)OC(=O)CC,public_strict_iteration1_fulltrue_msa,2.041392685158225,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_cf18c3ec3cded9,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccccc1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1ccccc1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1ccccc1O.C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>COc1ccccc1OC.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.0,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_cf33405af650e0,catpred_iteration1_kcat,kcat,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O,O,O>>O=P(O)(O)O.OC1C(O)C(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.6127838567197355,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_cf7a3cb8ec3b29,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-0.6989700043360187,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_cfee8745cfe003,catpred_iteration1_kcat,kcat,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O.N.N.O=C=O.O=O.O=S(=O)(O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O.N.N.O=C=O.O=O.O=S(=O)(O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O.N.N.O=C=O.O=O.O=S(=O)(O)O>>C/C(=C/CC12OC1(C)C(=O)c1ccccc1C2=O)CCCC(C)CCCC(C)CCCC(C)C.O,public_strict_iteration1_fulltrue_msa,0.2304489213782739,,,s_758b68a2c36468550d799726,test
catpreddb_kcat_kcat_cfefb24cac78cf,catpred_iteration1_kcat,kcat,P04191,P04191,MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCKMFIIDKVDGDFCSLNEFSITGSTYAPEGEVLKNDKPIRSGQFDGLVELATICALCNDSSLDFNETKGVYEKVGEATETALTTLVEKMNVFNTEVRNLSKVERANACNSVIRQLMKKEFTLEFSRDRKSMSVYCSPKSSRAAVGNKMFVKGAPEGVIDRCNYVRVGTTRVPMTGPVKEKILSVIKEWGTGRDTLRCLALATRDTPPKREEMVLDDSSRFMEYETDLTFVGVVGMLDPPRKEVMGSIQLCRDAGIRVIMITGDNKGTAIAICRRIGIFGENEEVADRAYTGREFDDLPLAEQREACRRACCFARVEPSHKSKIVEYLQSYDEITAMTGDGVNDAPALKKAEIGIAMGSGTAVAKTASEMVLADDNFSTIVAAVEEGRAIYNNMKQFIRYLISSNVGEVVCIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRPPRSPKEPLISGWLFFRYMAIGGYVGAATVGAAAWWFMYAEDGPGVTYHQLTHFMQCTEDHPHFEGLDCEIFEAPEPMTMALSVLVTIEMCNALNSLSENQSLMRMPPWVNIWLLGSICLSMSLHFLILYVDPLPMIFKLKALDLTQWLMVLKISLPVIGLDEILKFIARNYLEDPEDERRK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O.[Ca+2],Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O.[Ca+2],Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O.[Ca+2]>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O.[Ca+2],public_strict_iteration1_fulltrue_msa,2.146128035678238,,,s_8840a1d1aed565ce83d612ba,test
catpreddb_kcat_kcat_d00677243107f9,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.0569048513364727,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_d00dcd2a7e64d7,catpred_iteration1_kcat,kcat,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,C[N+](C)(C)CCOP(=O)(O)O.O,C[N+](C)(C)CCOP(=O)(O)O.O,C[N+](C)(C)CCOP(=O)(O)O.O>>C[N+](C)(C)CCO.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-1.5686362358410126,,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_kcat_kcat_d01d54a1b52bed,catpred_iteration1_kcat,kcat,A0A0A7I435,A0A0A7I435,MEELTGEEVASLHSEYVMQSWHKQGGPVKPIKKADGIYFWDYDGKRYTDMSSLLVCSNLGHELPEIVDAIKEQADNMCFMAPAYASEPKSRLAKMLVDVADPDFYQRVFFTNGGADSNENAIKMARMVTGRPKIFSCYRSYHGSTIGASNASGDWRRFATELGGSAPGFVHFMNPNMYEDGYTRGVDDATVTADYLHRLDEQLQYEGPDSVAAILMESIVGANGVILPPEGYMEGVRALCDKYGILMICDEVMAGFGRTGKMFAWQNFDVKPDMFTFAKGVTCGYVPLGGVVVSKRISDYFTDHVLQCGLTYSGHTLACAAGVAAVNYYLEHDVCAHVKEMEGILKPFLESMVEKHKCVGEARCIGLFSALTIVKNKETRELMAPYHTPNSVMPQIMAKLMDLGFSTFGRETNINICPPLIITAEQLEEELPKLDKVLTWVDENLCD,NCCS(=O)(=O)O.O=C(O)CCC(=O)C(=O)O,NCCS(=O)(=O)O.O=C(O)CCC(=O)C(=O)O,NCCS(=O)(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=CCS(=O)(=O)O,public_strict_iteration1_fulltrue_msa,0.568201724066995,,,s_b25672eb002c4602d66471b6,test
catpreddb_kcat_kcat_d026e0d417a714,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)/C=C/C1=C(C)CCCC1(C)C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.275724130399211,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_d031c2c195aa09,catpred_iteration1_kcat,kcat,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,3.3016809492935764,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_d056aca3dac67a,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.9273703630390235,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_d10226cd0877b0,catpred_iteration1_kcat,kcat,A0A0H2URG7,A0A0H2URG7,MTIYNINLGIGWASSGVEYAQAYRAGVFRKLNLSSKFIFTDMILADNIQHLTANIGFDDNQVIWLYNHFTDIKIAPTSVTVDDVLAYFGGEESHREKNGKVLRVFFFDQDKFVTCYLVDENKDLVQHAEYVFKGNLIRKDYFSYTRYCSEYFAPKDNVAVLYQRTFYNEDGTPVYDILMNQGKEEVYHFKDKIFYGKQAFVRAFMKSLNLNKSDLVILDRETGIGQVVFEEAQTAHLAVVVHAEHYSENATNEDYILWNNYYDYQFTNADKVDFFIVSTDRQNEVLQEQFAKYTQHQPKIVTIPVGSIDSLTDSSQGRKPFSLITASRLAKEKHIDWLVKAVIEAHKELPELTFDIYGSGGEDSLLREIIANHQAEDYIQLKGHAELSQIYSQYEVYLTASTSEGFGLTLMEAIGSGLPLIGFDVPYGNQTFIEDGQNGYLIPSSSDHVEDQIKQAYAAKICQLYQENRLEAMRAYSYQIAEGFLTKEILEKWKKTVEEVLHD,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.C[C@@H](O)[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.C[C@@H](O)[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O.C[C@@H](O)[C@H](N=C(O)[C@H](CO)N=C(O)[C@@H](N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)O>>CC(O)=N[C@H]1C(Oc2ccc(C[C@H](N)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CO)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CO)C(O)=N[C@H](C(O)=N[C@@H](CO)C(O)=N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.0969100130080564,,,s_0d94cf527db43e1aa0a2a3ce,test
catpreddb_kcat_kcat_d128d4d8b8931f,catpred_iteration1_kcat,kcat,B3VPB3,B3VPB3,MGVSAVLLPLYLLSGVTSGLAVPASRNQSTCDTVDQGYQCFSETSHLWGQYVPFFSLANESAISPDVPAGCRVTFAQVLSRHGARYPTDSKGKKYSALIEEIQQNATTFDGKYAFLKTYNYSLGADDLTPFGEQELVNSGIKFYQRYESLTRNIIPFIRSSGSSRVIASGKKFIEGFQSTKLKDPRAQPGQSSPKIDVVISEASSSNNTLDPGTCTVFEDSELADAVEANFTATFVPTIRQRLENDLSGVSLTDTEVTYLMDMCSFDTISTSTVDTKLSPFCDLFTHDEWINYDYLQSLKKYYGHGAGNPLGPTQGVGYANELIARLTHSPVHDDTSSNHTLDSNSATFPLNSTLYADFSHDNGIISILFALGLYNGTKPLSTTTVQNITQTDGFSSAWTVPFASRLYVEMMQCQAEQEPLVRVLVNDRVVPLHGCPVDALGRCTRDSFVKGLSFARSGGDWAECFA,O.O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+].[Na+],O.O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+].[Na+],O.O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+].[Na+]>>O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]1OP(=O)(O)O.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+],public_strict_iteration1_fulltrue_msa,2.44870631990508,,,s_5ed105acb4c7e38459e7081e,test
catpreddb_kcat_kcat_d164a41258eacc,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-2.3665315444204134,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_d173378f060346,catpred_iteration1_kcat,kcat,B1VK31,B1VK31,MEVISNHTNGSVITINGHHHTNGKSDHRNGGVTAHDNGNKLSLGSYNSIKPGWFSEFSALWPGEAFSVKIEKLLFQGKSDYQDVMLFESATYGKVLTLDGAIQHTENGGFSYTEMIVHLPLGSIPTPKKVLIIGGGIGFTLFEVLRYSTIEKIDIVEIDDVVVDVSRKFFPYLAANFNDPRVTLVLDDGAAFVKAAQAGYYDAIIVDSSDPIGPAKDLFERPFFEAVAKALRPGGVVCTQAESIWLHMHIIKQIIANCRQVFKGSVNYAWTTVPTYPTGVIGYMLCSTEGPEVDFKNPINPIDKDSTHVKSKLGPLKFYNSDIHKAAFILPSFARSLIES,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCN,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCN,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCCN>>CNCCCCN.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.3279021420642825,,,s_e12b6c9fbe50761d5ade1759,test
catpreddb_kcat_kcat_d18d73bd6022d5,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1.O,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1.O,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1.O>>COP(=O)(O)OC.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.8692317197309762,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_d192c1e7f616ce,catpred_iteration1_kcat,kcat,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1)C(=O)O.CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,2.12057393120585,,,s_9c1c54ef2ef457891b120064,test
catpreddb_kcat_kcat_d1a63c3e664562,catpred_iteration1_kcat,kcat,P62002,P62002,MAKLKEPIIAINFKTYIEATGKRALEIAKAAEKVYKETGVTIVVAPQLVDLRMIAESVEIPVFAQHIDPIKPGSHTGHVLPEAVKEAGAVGTLLNHSENRMILADLEAAIRRAEEVGLMTMVCSNNPAVSAAVAALNPDYVAVEPPELIGTGIPVSKAKPEVITNTVELVKKVNPEVKVLCGAGISTGEDVKKAIELGTVGVLLASGVTKAKDPEKAIWDLVSGIIKE,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O>>O=C(CO)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,6.0,-0.1674910872937636,,s_97b6c4eb5212d1bed447399d,test
catpreddb_kcat_kcat_d1a7b36dc75a0d,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(=O)O.N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.414973347970818,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_d1c6b5c2412f28,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_d1d52a23840907,catpred_iteration1_kcat,kcat,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCCCCCCCCC(=O)O.O=O,CCCCCCCCCCCC(=O)O.O=O,CCCCCCCCCCCC(=O)O.O=O>>O.O=C(O)CCCCCCCCCCCO,public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_e8cf4514befa1a1899f825d0,test
catpreddb_kcat_kcat_d1f4b7bf0baca8,catpred_iteration1_kcat,kcat,E2JA31,E2JA31,MSILNNKEVIVIIDAWSGGKHLIPAFQALGYFCLHVQSTFLPEVFIADNQLAIARSDRHIVHDGNIETLLSQLQPYTIKAILAGSEGAVGLADCLNDALELTFSNQFELSAARRNKYLMQEQLALKGVASINQQLAGHSDELKQWLAGHAHWPVVLKPIQSAGTDGVFICHDLAQALQAFEAILAKKDFFGSPNREVLCQEFLAGEEFVVNGIACQGEYFFTELWQSKKQQRNGFPVYETQYLHYQNDAGFDVLTAYTVQVCQTLGINNGAFHAEVMMTSGGPVLIEIGARVAGGADPYIIEECLGHSQISKLAQAVLHPAKFLQECRRQHDFSGHRRAAYVYMISPSPGRVQVSPEEKFIKIDGVISINYHYAPGDIQQETCDLLSSPGVIIAIRDNPALLKQTIAEIRDVEADFYHLGLIDE,CC(C)[C@H](N)C(=O)O.N=C(O)/C=C/C(O)=NC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)[C@H](N)C(=O)O.N=C(O)/C=C/C(O)=NC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)[C@H](N)C(=O)O.N=C(O)/C=C/C(O)=NC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(C)[C@H](N=C(O)[C@@H](N)CN=C(O)/C=C/C(=N)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.5228787452803376,,,s_dd231b207901506b1bef7a84,test
catpreddb_kcat_kcat_d20c7a6b48ec34,catpred_iteration1_kcat,kcat,Q9ZJ98,Q9ZJ98,MKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKGYFDFWNCAIKKGYSGVVTFTKKEPLSVSYGIDIKEHDKEGRVVTCEFESFYLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAHNEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTWWSYMQQARDKDIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLELV,O,O,O>>,public_strict_iteration1_fulltrue_msa,4.741939077729199,,,s_73564e4174b9b3e91dc0bc77,test
catpreddb_kcat_kcat_d20fa863a955e6,catpred_iteration1_kcat,kcat,O46658,O46658,MGLLTGDLLGILALAMVIFLLLVDLMHRRSRWAPRYPPGPMPLPGLGNLLQVNFQDPRLSFIQLRRRFGDVFSLQQIWRPVVVLNGLAAVREALVSHSHETSDRPPVFILEHLGYGPRSEGVILARYGKAWREQRRFSVSTLRNFGLGKKSLEEWVTQEASCLCAAFADQAGRPFSPNNLLNKAVSNVIASLTFARRFEYNDPRMLKLLDLVLEGLKEEVGLMRQVLEAMPVLRHIPGLCAKLFPRQKAFLVMIDELITEHKMTRDLAQPPRDLTDAFLDEMKEAKGNPESSFNDENLRLVVAHLFSAGMITTSTTLAWALLLMILHPDVQRRVQQEIDEVIGHVRQPEIKDQALMPFTLAVLHEVQRFGDIVPLGVAHMTSCDIEVQGFLIPKGTTLITNLTSVLKDETVWKKPFRFYPEHFLDAQGRFTKQEAFMPFSAGRRSCLGEPLARMELFLFFTTLLQAFSFSVPTGQPCPSDHGVFAFLLFPSPYQLCAVPR,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,-1.769551078621726,,,s_41602ac954bd7960f8b7c8d6,test
catpreddb_kcat_kcat_d21747b01846f6,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCC(O)/C=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCCCCCCCCC(O)CCC=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.1238516409670858,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_d295c44bf9ee8a,catpred_iteration1_kcat,kcat,Q93D82,Q93D82,MSTAIVTNVKHFGGMGSALRLSEAGHTVACHDESFKQKDELEAFAETYPQLKPMSEQEPAELIEAVTSAYGQVDVLVSNDIFAPEFQPIDKYAVEDYRGAVEALQIRPFALVNAVASQMKKRKSGHIIFITSATPFGPWKELSTYTSARAGACTLANALSKELGEYNIPVFAIGPNYLHSEDSPYFYPTEPWKTNPEHVAHVKKVTALQRLGTQKELGELVAFLASGSCDYLTGQVFWLAGGFPMIERWPGMPE,OCC(O)CBr,OCC(O)CBr,OCC(O)CBr>>Br.OCC1CO1,public_strict_iteration1_fulltrue_msa,1.3031960574204888,-0.3665315444204134,,s_188c4bb2a9f542702ccb57ca,test
catpreddb_kcat_kcat_d2a008576ba3ec,catpred_iteration1_kcat,kcat,P05108,P05108,MLAKGLPPRSVLVKGCQTFLSAPREGLGRLRVPTGEGAGISTRSPRPFNEIPSPGDNGWLNLYHFWRETGTHKVHLHHVQNFQKYGPIYREKLGNVESVYVIDPEDVALLFKSEGPNPERFLIPPWVAYHQYYQRPIGVLLKKSAAWKKDRVALNQEVMAPEATKNFLPLLDAVSRDFVSVLHRRIKKAGSGNYSGDISDDLFRFAFESITNVIFGERQGMLEEVVNPEAQRFIDAIYQMFHTSVPMLNLPPDLFRLFRTKTWKDHVAAWDVIFSKADIYTQNFYWELRQKGSVHHDYRGILYRLLGDSKMSFEDIKANVTEMLAGGVDTTSMTLQWHLYEMARNLKVQDMLRAEVLAARHQAQGDMATMLQLVPLLKASIKETLRLHPISVTLQRYLVNDLVLRDYMIPAKTLVQVAIYALGREPTFFFDPENFDPTRWLSKDKNITYFRNLGFGWGVRQCLGRRIAELEMTIFLINMLENFRVEIQHLSDVGTTFNLILMPEKPISFTFWPFNQEATQQ,CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C.O=O,CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C.O=O,CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C.O=O>>CC(=O)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C.CC(C)CCC=O.O,public_strict_iteration1_fulltrue_msa,2.9020028913507296,,,s_a97380fe4bf1f95f9d7ca044,test
catpreddb_kcat_kcat_d2dc5cb3cbb98f,catpred_iteration1_kcat,kcat,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.6170003411208989,,,s_3e77477216a36cf6ae48eafe,test
catpreddb_kcat_kcat_d338b25bc1db06,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1CCCc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H]1CCCc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1CCCc2ccccc21.[H+],public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_d33b4cd9705ef2,catpred_iteration1_kcat,kcat,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,O.[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[o+]c(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12,O.[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[o+]c(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12,O.[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[o+]c(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12>>OCC1OC(O)C(O)C(O)C1O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-2.677780705266081,,,s_48e9b1367836a0093d7ae75d,test
catpreddb_kcat_kcat_d38484d986000f,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>CCCCCCCCO.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.1079053973095195,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_d3a261a45446fd,catpred_iteration1_kcat,kcat,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_kcat_kcat_d3be9297511c6b,catpred_iteration1_kcat,kcat,P20099,P20099,MANSSSRYSVLTAAHWGPMLVETDGETVFSSRGALATGMENSLQSAVRDQVHSNTRVRFPMVRKGFLASPENPQGIRGQDEFVRVSWDEALDLIHQQHKRIREAYGPASIFAGSYGWRSNGVLHKASTLLQRYMALAGGYTGHLGDYSTGAAQAIMPYVVGGSEVYQQQTSWPLVLEHSDVVVLWSANPLNTLKIAWNASDEQGLSYFSALRDSGKKLICIDPMRSETVDFFGDKMEWVAPHMGTDVALMLGIAHTLVENGWHDEAFLARCTTGYAVFASYLLGESDGIAKTAEWAAEICGVGAAKIRELAAIFHQNTTMLMAGWGMQRQQFGEQKHWMIVTLAAMLGQIGTPGGGFGLSYHFANGGNPTRRSAVLSSMQGSLPGGCDAVDKIPVARIVEALENPGGAYQHNGMNRHFPDIRFIWWAGGANFTHHQDTNRLIRAWQKPELVVISECFWTAAAKHADIVLPATTSFERNDLTMTGDYSNQHLVPMKQVVPPRYEARNDFDVFAELSERWEKGGYARFTEGKSELQWLETFYNVARQRGASQQVELPPFAEFWQANQLIEMPENPDSERFIRFADFCRDPLAHPLKTASGKIEIFSQRIADYGYPDCPGHPMWLEPDEWQGNAEPEQLQVLSAHPAHRLHSQLNYSSLRELYAVANREPVTIHPDDAQERGIQDGDTVRLWNARGQILAGAVISEGIKPGVICIHEGAWPDLDLTADGICKNGAVNVLTKDLPSSRLGNGCAGNTALAWLEKYNGPELTLTAFEPPASS,CS(=O)CCC(N)C(=O)O,CS(=O)CCC(N)C(=O)O,CS(=O)CCC(N)C(=O)O>>CSCCC(N)C(=O)O.O,public_strict_iteration1_fulltrue_msa,2.2833012287035497,-1.7695510786217257,,s_308fdf66b093015eb16843bf,test
catpreddb_kcat_kcat_d3d1cf6afab8b7,catpred_iteration1_kcat,kcat,Q5I6B5,Q5I6B5,MEKIEVSIISRDTIKPSAASSSLHPYKLSIIDQFTPTTYFPVIFFYPITDRVFNLPQTLTDLKNTVSQALTLYHPLSGRIKNNLYIDDFEAGIPYLEARVNFHMIDFLRLPKIEWLNEFVPMAPYRKETISEFLPLLGIQVNIFDSGIAIGVSFSHKINDGQTASCFLKSWVAIFRGYRNKIIHPNLSQAALLLPSRDDLPEKYVAMMERMWFGEKKVVTRRFVFDAKAISALQDEGKSEYVPKPSRVQALTGFLWKHQLAASRALSSGTSTRFSVASQTVNLRSKMNMKTTLDNAIGNIFLWASARLDLNDTAPGSSDLKLCDLVNLLNESIKEFNSDYLEILKGKEGYGGMCDLLDFMEEGSFVEPAPEFYSFSSWTRFFDQVDFGWGRPSWVGFSGRVETRNFTIFVETQCDDGIDAWVTVDEKQMAMLEQDPQFLAFASPNPRISIASSVGMD,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OCCc1ccccc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OCCc1ccccc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.OCCc1ccccc1>>CC(=O)OCCc1ccccc1.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,public_strict_iteration1_fulltrue_msa,-0.1426675035687315,,,s_c7bbaddd8533855138d88c4c,test
catpreddb_kcat_kcat_d3f4544cb001f6,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1CCCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1CCCCC1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1CCCCC1>>,public_strict_iteration1_fulltrue_msa,-2.0457574905606752,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_d401befeafd282,catpred_iteration1_kcat,kcat,A8JC04,A8JC04,MALSMKMRANARVVSGRRVAAVAPRVVPFSSASSSVLRSGFAAEVSVDIRRVGRSRIVVEAVKKSVGDLHKADLEGKRVFVRADLNVPLDKATLAITDDTRIRAAVPTLKYLLDNGAKVLLTSHLGRPKGGPEDKYRLTPVVARLSELLGKPVTKVDDCIGPEVEKAVGAMKNGELLLLENVRFYKEEEKNEPEFAKKLAANADLYVNDAFGTAHRAHASTEGVTKFLKPSVAGFLLQKELDYLDGAVSNPKRPFVAIVGGSKVSSKITVIEALMEKCDKIIIGGGMIFTFYKARGLKVGSSLVEDDKIELAKKLEEMAKAKGVQLLLPTDVVVADKFDANANTQTVPITAIPDGWMGLDIGPDSVKTFNDALADAKTVVWNGPMGVFEFPKFANGTVSIANTLAGLTPKGCITIIGGGDSVAAVEQAGVAEKMSHISTGGGASLELLEGKVLPGVAALDEK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@H](O)COP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@H](O)COP(=O)(O)O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)[C@H](O)COP(=O)(O)O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.927883410330707,,,s_90cbec80030d9ce30a6d37c5,test
catpreddb_kcat_kcat_d415dbabdf71d8,catpred_iteration1_kcat,kcat,I3RYX9,I3RYX9,MNLEKFVDELPIPEVAEPVKKNPRQTYYEIAMEEVFLKVHRDLPPTKLWTYNGSLPGPTIHANRNEKVKVKWMNKLPLKHFLPVDHTIHEGHHDEPEVKTVVHLHGGVTPASSDGYPEAWFSRDFEATGPFFEREVYEYPNHQQACTLWYHDHAMALTRLNVYAGLAGFYLISDAFEKSLELPKDDYDIPLMIMDRTFQEDGSLFYPSRPNDTPEDSDIPDPSIVPFFCGETILVNGKVWPYLEVEPRKYRFRILNASNTRTYELHLDNDATIMQIGSDGGFLPRPVRHQSFSIAPAERFDVIIDFSAYENKTITLKNTAGCGQDVNPETDANIMQFKVTRPLKGRVPKTLRPIFKPLPPLRPSRADRERTLTLTGTQDKYGRPILLLDNHFWNDPVTENPRLGSLEVWSIVNPTRGTHPIHLHLVQFRVIDRRPFDTEVYQSTGEIVYTGPNEAPPLHEQGYKDTIQAHAGEVIRIVARFVPYTGRYVWHCHILEHEDYDMMRPMDIIQ,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21.O=O>>O,public_strict_iteration1_fulltrue_msa,2.576341350205793,,,s_a45c77f876b0fbcc5adde9ef,test
catpreddb_kcat_kcat_d456b5ded0f83f,catpred_iteration1_kcat,kcat,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O>>O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.255272505103306,,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_kcat_kcat_d457d033c24536,catpred_iteration1_kcat,kcat,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1.O>>Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.4116197059632305,,,s_205b4fb49279b335382e3627,test
catpreddb_kcat_kcat_d48277cc840b95,catpred_iteration1_kcat,kcat,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,Cc1cccc(C)c1O.O=O,Cc1cccc(C)c1O.O=O,Cc1cccc(C)c1O.O=O>>O,public_strict_iteration1_fulltrue_msa,0.1667260555800517,,,s_55a74685ac62fb5c184ff381,test
catpreddb_kcat_kcat_d48b7bbaf6565c,catpred_iteration1_kcat,kcat,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCc1ccccc1.O.O=O,NCc1ccccc1.O.O=O,NCc1ccccc1.O.O=O>>N.O=Cc1ccccc1.OO,public_strict_iteration1_fulltrue_msa,0.0086001717619175,,,s_7b85f430e37427f09efb431e,test
catpreddb_kcat_kcat_d495b75059d273,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCC(O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCC(O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCC(O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.744727494896694,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_d49cc1b59f87f8,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1cccc(O)c1,public_strict_iteration1_fulltrue_msa,-1.958607314841775,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_d4bf787490982f,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccccc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccccc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccccc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,-1.0,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_d4c054de5ca965,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1.O>>,public_strict_iteration1_fulltrue_msa,-1.8860566476931635,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_d4d1b45a28a1e1,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[H+],public_strict_iteration1_fulltrue_msa,1.8750612633917,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_d50a1323b3730f,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+],public_strict_iteration1_fulltrue_msa,1.787460474518415,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_d51ae8b7ffb0b7,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCC=CCC=CCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.769551078621726,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_d544b0f1902dfd,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].Nc1ccccc1C(O)=NCC(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_d553f5e542f03e,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C([O-])Cc1cc(O)cc(O)c1,public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_d55afd59b64b7e,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,-1.744727494896694,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_d56d0df43451a9,catpred_iteration1_kcat,kcat,Q97UB2,Q97UB2,MPAKLNSPSRYHGIYNAPHRAFLRSVGLTDEEIGKPLVAIATAWSEAGPCNFHTLALARVAKEGTKEAGLSPLAFPTMVVNDNIGMGSEGMRYSLVSRDLIADMVEAQFNAHAFDGLVGIGGCDKTTPGILMAMARLNVPSIYIYGGSAEPGYFMGKRLTIEDVHEAIGAYLAKRITENELYEIEKRAHPTLGTCSGLFTANTMGSMSEALGMALPGSASPTATSSRRVMYVKETGKALGSLIENGIKSREILTFEAFENAITTLMAMGGSTNAVLHLLAIAYEAGVKLTLDDFNRISKRTPYIASMKPGGDYVMADLDEVGGVPVVLKKLLDAGLLHGDVLTVTGKTMKQNLEQYKYPNVPHSHIVRDVKNPIKPRGGIVILKGSLAPEGAVIKVAATNVVKFEGKAKVYNSEDDAFKGVQSGEVSEGEVVIIRYEGPKGAPGMPEMLRVTAAIMGAGLNNVALVTDGRFSGATRGPMVGHVAPEAMVGGPIAIVEDGDTIVIDVESERLDLKLSEEEIKNRLKRWSPPSPRYKSGLLAKYASLVSQASMGAVTRPA,CC(C)(O)C(O)C(=O)[O-],CC(C)(O)C(O)C(=O)[O-],CC(C)(O)C(O)C(=O)[O-]>>CCCC(=O)C(=O)[O-].O,public_strict_iteration1_fulltrue_msa,1.8796692056320536,0.0273065272784439,,s_b7f02f5e3954509c756d9b9c,test
catpreddb_kcat_kcat_d5a487f56e6e29,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.9242792860618816,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_d5d421bd7f1f76,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC[C@H](C)[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC[C@H](C)[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC[C@H](C)[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CCC(C)[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.CC[C@H](C)[C@H](N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_d5f087c32d47eb,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@H](C(=O)O)[C@@H](C)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@H](C(=O)O)[C@@H](C)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@H](C(=O)O)[C@@H](C)O.O>>,public_strict_iteration1_fulltrue_msa,-0.5800442515102421,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_d5f56420a02a32,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.3767507096020995,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_d60cc645c62a24,catpred_iteration1_kcat,kcat,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)COP(=O)(O)O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C(O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.4440447959180762,,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_kcat_kcat_d651fb793515bc,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCCN.O.O=O,CCCN.O.O=O,CCCN.O.O=O>>CCC=O.N.OO,public_strict_iteration1_fulltrue_msa,0.7634279935629373,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_d65a6fa7e2930e,catpred_iteration1_kcat,kcat,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+],CCCCCCCC=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+]>>CCCCCCC.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CO,public_strict_iteration1_fulltrue_msa,-1.6382721639824072,,,s_b4b031ed943af76041b4fd24,test
catpreddb_kcat_kcat_d685a20c61baca,catpred_iteration1_kcat,kcat,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccccc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.041392685158225,,,s_20763196f05a193ee16b396c,test
catpreddb_kcat_kcat_d6872325087c2b,catpred_iteration1_kcat,kcat,P09367,P09367,MAAQESLHVKTPLRDSMALSKVAGTSVFLKMDSSQPSGSFKIRGIGHLCKMKAKQGCKHFVCSSVVQIWGSRMRGRSHSGDEQPHVRSQALLPDTPSPLTAGNAGMATAYAARRLGLPATIVVPSTTPALTIERLKNEGATVEVVGEMLDEAIQLAKALEKNNPGWVYISPFDDPLIWEGHTSLVKELKETLSAKPGAIVLSVGGGGLLCGVVQGLREVGWEDVPIIAMETFGAHSFHAAVKEGKLVTLPKITSVAKALGVNTVGAQTLKLFYEHPIFSEVISDQEAVTAIEKFVDDEKILVEPACGAALAAVYSGVVCRLQAEGRLQTPLASLVVIVCGGSNISLAQLQALKAQLGLNELLK,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>CC(=O)C(=O)O.N,public_strict_iteration1_fulltrue_msa,2.385606273598312,1.7881591550497915,,s_992ea70b163f023a55cf755b,test
catpreddb_kcat_kcat_d69890a421416b,catpred_iteration1_kcat,kcat,Q8NRR8,Q8NRR8,MTRYAAIDCGTNSIRLLITEVTPEGFKEITRENTIVRLGKGVDATGQLDPEAIERTRVALENYVELMETHGVEAVRMVATSATRDASNRDEFFSMTRQLLSKIRPGYQAEVISGEEEALLSFRGAIVDLPEDQGPFCVIDLGGGSTEFIVGTYDGEILGSHSTQMGCVRLTERIMRSDPPTETEVEIARDYVAERIQEVKAIVPISKAKTFVGCAGTFTTISAWVQGLESYDRDAIHLSALNFDALRVVTDEIISESSSQRASNPVVDPGRADVIGGGSVVVQAAIDLASKEAGVDYIIISEKDILDGLILGLVEADSLKK,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O>>O=P(O)(O)O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.2218487496163563,,,s_3ba73f0cdf68937f8fbbfd8f,test
catpreddb_kcat_kcat_d6a1b6bcc7e905,catpred_iteration1_kcat,kcat,P49773,P49773,MADEIAKAQVARPGGDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDESLLGHLMIVGKKCAADLGLNKGYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG,O,O,O>>NCCc1c[nH]c2ccccc12.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.4983105537896005,,,s_9984e70ded6153f918ff956f,test
catpreddb_kcat_kcat_d6a4a085a8ca8a,catpred_iteration1_kcat,kcat,O07529,O07529,MNMLVINGTPRKHGRTRIAASYIAALYHTDLIDLSEFVLPVFNGEAEQSELLKVQELKQRVTKADAIVLLSPEYHSGMSGALKNALDFLSSEQFKYKPVALLAVAGGGKGGINALNNMRTVMRGVYANVIPKQLVLDPVHIDVENATVAENIKESIKELVEELSMFAKAGNPGV,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.1549019599857432,,,s_51b28bd3ae8d4e00b6efac4c,test
catpreddb_kcat_kcat_d6add076b9bd1b,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O>>,public_strict_iteration1_fulltrue_msa,2.146128035678238,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_d6dfdb4686b0cb,catpred_iteration1_kcat,kcat,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,C=CCC(=O)O.O,C=CCC(=O)O.O,C=CCC(=O)O.O>>*CC(*)O.CC(=O)O,public_strict_iteration1_fulltrue_msa,1.6989700043360187,,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_kcat_kcat_d6ebf677c4c088,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,OO.[H],OO.[H],OO.[H]>>CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1.O,public_strict_iteration1_fulltrue_msa,0.9294189257142929,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_d6eefe4a1869ee,catpred_iteration1_kcat,kcat,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=[N+]([O-])c1ccc(CO)cc1,public_strict_iteration1_fulltrue_msa,-2.0087739243075053,,,s_2764a837703abb2f4c81a0d2,test
catpreddb_kcat_kcat_d6f63758469bd1,catpred_iteration1_kcat,kcat,A8BB85,A8BB85,MSAGKTVVIALGGNAMLQAKEKGDYDTQRKNVEIAASEIYKIHKAGYKVVLTSGNGPQVGAIKLQNQAAAGVSPEMPLHVCGAMSQGFIGYMMSQAMDNVFCANNEPANCVTCVTQTLVDPKDQAFTNPTKPVGRFYTEQEAKDLMAANPGKILREDAGRGWRVVVPSPRPLEIVEYGVIKTLIDNNVLVICTNGGGIPCKRENKVISGVDAVIDKDLATSLLAKTLNSDYLMILTDVLNACINYKKPDERKLEEIKLSEILALEKDGHFAAGSMGPKVRAAIEFTQATGKMSIITSLSTAVDALNGKCGTRIIKD,N=C(O)OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=C(O)OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N=C(O)OP(=O)(O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C=O,public_strict_iteration1_fulltrue_msa,2.503790683057181,,,s_72c06ac273d521cddbd7338f,test
catpreddb_kcat_kcat_d723718f797734,catpred_iteration1_kcat,kcat,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>O=P(O)(O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.9242792860618816,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_d7704e918d89f1,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.O=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.O=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.O=O>>C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(=O)O.O,public_strict_iteration1_fulltrue_msa,-0.2218487496163563,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_d79e9ecb74e1d7,catpred_iteration1_kcat,kcat,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1CCOc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1CCOc2ccccc21,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1CCOc2ccccc21>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,public_strict_iteration1_fulltrue_msa,2.1760912590556813,,,s_1f9dafe578e10e0347c193ca,test
catpreddb_kcat_kcat_d7a8d57baba833,catpred_iteration1_kcat,kcat,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,C=CC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,C=CC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,C=CC(C)=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CCC(C)=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.7958800173440752,,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_kcat_kcat_d7bb9da3d5c57c,catpred_iteration1_kcat,kcat,A9W9U6,A9W9U6,MLLLRITMLEGRSTEQKAELARALSAAAAAAFDVPLAEVRLIIQEVPPTHWTVGGISMAELRQQASTSTQGQ,O=C(O)/C(O)=C\c1ccccc1,O=C(O)/C(O)=C\c1ccccc1,O=C(O)/C(O)=C\c1ccccc1>>O=C(O)C(=O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,1.1139433523068367,-0.91721462968355,,s_ccf8357b7a237359ce53d9a4,test
catpreddb_kcat_kcat_d7d01ab4380558,catpred_iteration1_kcat,kcat,Q4X1A4,Q4X1A4,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OCC(O)C(O)C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,2.096910013008056,,,s_a6432c9e3ec244d8753afdde,test
catpreddb_kcat_kcat_d7e7139b03026e,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,3.2375437381428744,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_d7ef1a2a1c12a4,catpred_iteration1_kcat,kcat,Q30W70,Q30W70,MDLQDFSHKLAEATKNLTPAERASLKKIFEGVSAEVFSQPAPVSAVATGAESGIPDGPTPRHVKLKENFLKQVPSITVQRAVAITKIAKENPGLPKPLLRAKTFRYCCETAPLVIQDHELIVGSPNGAPRAGAFSPEVAWRWLQDELDTIGSRPQDPFYISEEDKKVLREEVFPFWQNKSVDEFCEGQYREADLWEMSGESFVSDCSYHAVNGGGDSNPGYDVILMKKGMLDIQREAREKLEQLDYANPEDIDKIYFYKSVIETAEGVMIYARRLSAYAAELAARETDPRRKAELQKISEVNARVPAHAPSNFWEAIQAVWTVESLLVVEENQTGMSIGRVDQYMYPFYRADIDSGRLTEYEAFDLAGCMLVKMSEMMWITSEGASKFFAGYQPFVNMCVGGVTREGHDATNDLTYMLMDAVRHVRIYQPTLATRVHNKSPQKYLKKIVDVIRSGMGFPAVHFDDAHIKMMLAKGVSIEDARDYCLMGCVEPQKSGRLYQWTSTGYTQWPICIELVLNHGVPLWYGKKVTPDMGDLSQYDTYEKFEAAVKEQIRWITKNTSVATVISQRAHRELAPKPLMSLMYEGCMESGRDVSAGGAMYNFGPGVVWSGLATYVDSMAAIKKLVYDDRKYTLAQLNEALKADFAGYDQILADCLAAPKYGNDDDYADMIAADLVHFTETEHRKYKTLYSVLSHGTLSISNNTPFGQLLGASANGRRAWMPLSDGISPTQGADYKGPTAIIKSVSKMANDNMNIGMVHNFKLMSGLLDTPEGENGLITLIRTACMLGNGEMQFNYLDNELLLDAQKHPEKYRDLVVRVAGYSAFFVELCKDVQDEIISRTMLHGF,C[N+](C)(C)CCO,C[N+](C)(C)CCO,C[N+](C)(C)CCO>>CC=O.CN(C)C,public_strict_iteration1_fulltrue_msa,2.1958996524092336,-0.8860566476931633,,s_82b1112f8c89d939665bb3c6,test
catpreddb_kcat_kcat_d7f82b361a35fe,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1COC(O)C(O)C1O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1COC(O)C(O)C1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1OCC(O)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,5.079181246047625,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_d8095f2a586820,catpred_iteration1_kcat,kcat,P09126,P09126,MSILVTRPSPAGEELVSRLRTLGQVAWHFPLIEFSPGQQLPQLADQLAALGESDLLFALSQHAVAFAQSQLHQQDRKWPRLPDYFAIGRTTALALHTVSGQKILYPQDREISEVLLQLPELQNIAGKRALILRGNGGRELIGDTLTARGAEVTFCECYQRCAIHYDGAEEAMRWQAREVTMVVVTSGEMLQQLWSLIPQWYREHWLLHCRLLVVSERLAKLARELGWQDIKVADNADNDALLRALQ,O=C(O)CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O,O=C(O)CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O,O=C(O)CCc1c[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(CO)c(CC(=O)O)c4CCC(=O)O)c(CC(=O)O)c3CCC(=O)O)c(CC(=O)O)c2CCC(=O)O)c1CC(=O)O>>O.O=C(O)CCc1c2[nH]c(c1CC(=O)O)Cc1[nH]c(c(CC(=O)O)c1CCC(=O)O)Cc1[nH]c(c(CC(=O)O)c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1CC(=O)O)C2,public_strict_iteration1_fulltrue_msa,2.6989700043360187,-2.3010299956639813,,s_18f461e7a85a754ac6de5415,test
catpreddb_kcat_kcat_d823ff6d7d9d40,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(O)C(=O)C(=O)[O-].NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(O)C(=O)C(=O)[O-].NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(O)C(=O)C(=O)[O-].NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C(O)C(O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.2262135550188064,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_d83c0df68a55a2,catpred_iteration1_kcat,kcat,I6WHP7,I6WHP7,MIHCKVQQWSPQYLRLPATGYEELTLTLNTSMLARMPEEEDQLFLVVGDSPSSTYVDWGEDCNSTRYPSYDHCTHKILYLGASAGTTRSKRLSATIGIRLSKGTGSNNVLGTPMYLLYNEMKTRIIESSK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.8450980400142568,-2.305394801066431,,s_dff846f1cc4781f5ddffe80d,test
catpreddb_kcat_kcat_d8751bc1b33b3d,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)O,C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)O,C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)O>>C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O,public_strict_iteration1_fulltrue_msa,-1.3010299956639813,0.4623979978989561,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_d88a3200e88c75,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCCC=O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCCC=O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCCC=O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=CCCCC(=O)O.[H],public_strict_iteration1_fulltrue_msa,-0.1870866433571444,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_d89e2c70d089af,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1cccc(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)Cc1cccc(O)c1,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_d8bd0856d1fed3,catpred_iteration1_kcat,kcat,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C1OC(COP(=O)(O)O)C(O)C(O)C1O.[H],public_strict_iteration1_fulltrue_msa,6.0,,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_kcat_kcat_d8d328c2443293,catpred_iteration1_kcat,kcat,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,3.244524511570084,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_d8fbd92143d717,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)C(=O)c1ccccc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)c1ccccc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(=O)c1ccccc1.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-0.8096683018297085,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_d9006038b81625,catpred_iteration1_kcat,kcat,P37666,P37666,MKPSVILYKALPDDLLQRLQEHFTVHQVANLSPQTVEQNAAIFAEAEGLLGSNENVNAALLEKMPKLRATSTISVGYDNFDVDALTARKILLMHTPTVLTETVADTLMALVLSTARRVVEVAERVKAGEWTASIGPDWYGTDVHHKTLGIVGMGRIGMALAQRAHFGFNMPILYNARRHHKEAEERFNARYCDLDTLLQESDFVCLILPLTDETHHLFGAEQFAKMKSSAIFINAGRGPVVDENALIAALQKGEIHAAGLDVFEQEPLSVDSPLLSMANVVAVPHIGSATHETRYGMAACAVDNLIDALQGKVEKNCVNPHVAD,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)CO.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,1.8603380065709936,,,s_d75c553801007e38e2c3b60c,test
catpreddb_kcat_kcat_d91d8efab00596,catpred_iteration1_kcat,kcat,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O,Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O,Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.O>>Nc1nc2c(c(=O)[nH]1)NC(CN(C=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2.[H],public_strict_iteration1_fulltrue_msa,1.7242758696007892,,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_kcat_kcat_d93965bf86cfef,catpred_iteration1_kcat,kcat,E5G6H3,E5G6H3,MPSIKLNSGYDMPAVGFGCWKVDVDTCSEQIYRAIKTGYRLFDGAEDYANEKLVGAGVKKAIDEGIVKREDLFLTSKLWNNYHHPDNVEKALNRTLSDLQVDYVDLFLIHFPVTFKFVPLEEKYPPGFYCGKGDNFDYEDVPILETWKALEKLVKAGKIRSIGVSNFPGALLLDLLRGATIKPSVLQVEHHPYLQQPRLIEFAQSRGIAVTAYSSFGPQSFVELNQGRALNTSPLFENETIKAIAAKHGKSPAQVLLRWSSQRGIAIIPKSNTVPRLLENKDVNSFDLDEQDFADIAKLDINLRFNDPWDWDKIPIFV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC1OC[C@@H](O)[C@H](O)[C@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC1OC[C@@H](O)[C@H](O)[C@H]1O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.OC1OC[C@@H](O)[C@H](O)[C@H]1O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC[C@@H](O)[C@H](O)[C@@H](O)CO,public_strict_iteration1_fulltrue_msa,1.4393326938302626,,,s_60502662e2d87e30116171f4,test
catpreddb_kcat_kcat_d93c691854b627,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.717670503002262,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_d942c9b1906044,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/C=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.5686362358410126,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_d95ae67f176cc5,catpred_iteration1_kcat,kcat,Q9C544,Q9C544,MEAKLLKPAFYNSPNLNLTNSSRLISRLSIWNDKSKVGLSSGSLFLRLSAASPIRYSRGLLRVDESEYLKLESIRHSLIRQEDSIIFNLLERAQYRYNADTYDEDAFTMEGFQGSLVEFMVRETEKLHAKVDRYKSPDEHPFFPQCLPEPILPPIQYPQVLHRCAESININKKVWNMYFKHLLPRLVKPGDDGNCGSAALCDTMCLQILSKRIHFGKFVAEAKFRENPAAYETAIKEQDRTQLMQLLTYETVEEVVKKRVEIKARIFGQDITINDPETEADPSYKIQPSLVAKLYGERIMPLTKEVQIEYLLRRLD,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O>>O=C(O)C(=O)CC1(C(=O)O)C=CC(O)C=C1,public_strict_iteration1_fulltrue_msa,1.1139433523068367,0.041392685158225,,s_d03ae50739ce01031c221447,test
catpreddb_kcat_kcat_d97e3d44b8235b,catpred_iteration1_kcat,kcat,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O,O.O=P(O)(O)OP(=O)(O)O>>O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.0791812460476247,,,s_140aab011c2ec3f979562c0c,test
catpreddb_kcat_kcat_d98b3713329614,catpred_iteration1_kcat,kcat,Q8L0V2,Q8L0V2,MNILVTGGAGYIGSHTSLCLLNKGYNVVIIDNLINSSCESIRRIELIAKKKVTFYELNINNEKEVNQILKKHKFDCIMHFAGAKSVAESLIKPIFYYDNNVSGTLQLINCAIKNDVANFIFSSSATVYGESKIMPVTEDCHIGGTLNPYGTSKYISELMIRDIAKKYSDTNFLCLRYFNPTGAHESGMIGESPADIPSNLVPYILQVAMGKLEKLMVFGGDYPTKDGTGVRDYIHVMDLAEGHVAALSYLFRDNNTNYHVFNLGTGKGYSVLELVSTFEKISGVRIPYEIVSRRDGDIAESWSSPEKANKYLNWKAKRELETMLEDAWRWQMKNPNGYI,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.5230958382525678,0.6242820958356683,,s_3cb5e40ba687ab85324cd07f,test
catpreddb_kcat_kcat_d9967a89159730,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCCc1ccc(O)c(O)c1.O.O=O,NCCc1ccc(O)c(O)c1.O.O=O,NCCc1ccc(O)c(O)c1.O.O=O>>N.O=CCc1ccc(O)c(O)c1.OO,public_strict_iteration1_fulltrue_msa,-0.2676062401770315,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_d9a5af9a4f37c9,catpred_iteration1_kcat,kcat,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CCO)ccc1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CCO)ccc1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CCO)ccc1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>COc1cc(C=CCO)ccc1OC1OC(CO)C(O)C(O)C1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,0.5010592622177514,,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_kcat_kcat_d9b4bb12aaa340,catpred_iteration1_kcat,kcat,O41094,O41094,MFNDRVIVKKSPLGGYGVFARKSFEKGELVEECLCIVRHNDDWGTALEDYLFSRKNMSAMALGFGAIFNHSKDPNARHELTAGLKRMRIFTIKPIAIGEEITISYGDDYWLSRPRLTQN,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.1870866433571443,-0.8996294548824371,,s_0f3d4161b68a6739a5190742,test
catpreddb_kcat_kcat_d9db38b7013810,catpred_iteration1_kcat,kcat,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.0177287669604316,,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_kcat_kcat_d9eab91c9b49c7,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.0705810742857071,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_da6e567556555e,catpred_iteration1_kcat,kcat,Q4JGM1,Q4JGM1,MADATLLHRLIEALPKAELHVHIEGTLSPELLFELAKRNGVQIPYKTVEEVRAAYNFTDLQSFLDLYYEGMSVLITEDDFADLAYAYTRVMHESRVTHAEPFFDPQGHLCRGITFRVLYDGLMKGFRRGEAEFGVSVALIFSFLRHLSEEECFALVRDDMHPDNGQYIRELFAAKAFVAVGLDSSELDNPPEKFARLYRYCHEELKVPFLVAHAGEEGPPGYMRDAMSMLAVDRIDHGVAARLDQALCKDLREKRIPLTVCPTSNVALKVFQDRATCGAVVMDLVLTEGLCITINSDDPAYFGGDIRESFRILAETGRLTPATLKQLVLNSFCSSFIAEDRKRAYEERVEKVFKDVCGGTYE,Nc1nc[nH]c2ncnc1-2.O,Nc1nc[nH]c2ncnc1-2.O,Nc1nc[nH]c2ncnc1-2.O>>N.Oc1ncnc2[nH]cnc12,public_strict_iteration1_fulltrue_msa,1.2240148113728642,,,s_fe0584a40e117cc0758e8221,test
catpreddb_kcat_kcat_da6f8f5b78eaf5,catpred_iteration1_kcat,kcat,Q9WYX9,Q9WYX9,MNILVTGGAGFIGSHVVDKLIENGYGVIVVDNLSSGKVENLNRNALFYEQSIEDEEMMERIFSLHRPEYVFHLAAQASVAISVREPARDAKTNIIGSLVLLEKSIKYGVKKFIFSSTGGAIYGENVKVFPTPETEIPHPISPYGIAKYSTEMYLEFFAREYGLKYTVLRYANVYGPRQDPYGEAGVVAIFTERMLRGEEVHIFGDGEYVRDYVYVDDVVRANLLAMEKGDNEVFNIGTGRGTTVNQLFKLLKEITGYDKEPVYKPPRKGDVRKSILDYTKAKEKLGWEPKVSLEEGLKLTVEYFRKTLE,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O>>CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,4.583142073859932,0.1436076574137155,,s_0b4bddf78d15da0e3e880812,test
catpreddb_kcat_kcat_da83b70feb8133,catpred_iteration1_kcat,kcat,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.146128035678238,,,s_b3f55c0dc962540433caeabb,test
catpreddb_kcat_kcat_daa046f04250bd,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_daa804d3867b69,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CCC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CCC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC[C@@H](O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-0.7772835288524167,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_dab912f771eade,catpred_iteration1_kcat,kcat,A0A1V3Y1D0,A0A1V3Y1D0,MNFLKIALSNKLKNNDFNSWQTTNLNNNPQASELAAIVLAEGDQNSLKTAQDLQKTSGLGIPIIKVSHETISNNEKEKIIDAANKYTKKMVPGFLTDLVNFAEDHPVSFTTPGHHNGLYYEKHPAGVVFNRFFGKNLMFADTSDTVPELGDTMTHEGTPLTAEQKAAETYHADKVYFCTNGTTSANSICASALLTKDDLVLFDRNNHKSLYNSALVMSGAKPVYIPTDRNALGLIGEMDPNFLSEEKIRAEVAKVDPEKAKAKRPFRLAIIQSETYDGLFYDAKWMIDKIGKLCDYILFDCAWGGFEQFVPIMNHLSPLNLDFGPDDPGILVTQSLHKQQAGMGQASQILKKDAHIKGQKRYVDHKHFNHAYLKFVTSSYSYPLYASLTVNSYLTSGEGNKKWWDKILRLGIEWRKELIRKSKLFSPLVIDNFENISTDDLATNEKYWNLEPNNLWHGFSKIATGQAMIDPLKITVVTPGIDVKNAKYEAVGIPGPVVAEFLMEKRIIRAKDDLYSLLFLLTPGDTKAELDTLLNAFLEFEQYYNEDAPLEKVLPKLTKVYGDRYKGYTLKQLCQEMHNYYRGNKTFTLQQELFAKPNMQNYPMTPEHADYLFMKNESELVNLDDVKGRIAAEGALPYPPGVFIVAPGEKWSDIDQKYFEVLVGAIERFPGFVPEIQGVYWDQKADGKIRVQAEVLKEN,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O>>NCCCN.O=C=O,public_strict_iteration1_fulltrue_msa,-0.4559319556497244,,,s_f2c99b721d4933849c22a8de,test
catpreddb_kcat_kcat_dac7280657aa1c,catpred_iteration1_kcat,kcat,Q9S427,Q9S427,MNKIYCLAVLSLTLLSPLALANTATEFDGPYVITPISGQSTAYWICDNRLKTTSIEKLQVNRPEHCGDLPETKLSSEIKQIMPDTYLGIKKVVALSDVHGQYDVLLTLLKKQKIIDSDGNWAFGEGHMVMTGDIFDRGHQVNEVLWFMYQLDQQARDAGGMVHLLMGNHEQMVLGGDLRYVHQRYDIATTLINRPYNKLYGADTEIGQWLRSKNTIIKINDVLYMHGGISSEWISRELTLDKANALYRANVDASKKSLKADDLLNFLFFGNGPTWYRGYFSETFTEAELDTILQHFNVNHIVVGHTSQERVLGLFHNKVIAVDSSIKVGKSGELLLLENNRLIRGLYDGTRETLQENSLNQ,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.2669369111591733,,,s_16d826d36daabc8090db65c5,test
catpreddb_kcat_kcat_dafc55edfd824a,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O.O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O.O>>,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_dafc93b924c9cf,catpred_iteration1_kcat,kcat,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O,O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O,O=C(O)CC[C@@](O)(CC(=O)O)C(=O)O>>O.O=C(O)/C=C(/CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.431798275933005,0.1760912590556812,,s_d45e89fa98a913150cf54b5f,test
catpreddb_kcat_kcat_db2891f07d1c8b,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCN.O.O=O,CCN.O.O=O,CCN.O.O=O>>CC=O.N.OO,public_strict_iteration1_fulltrue_msa,0.7867514221455612,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_db40d1c10419f2,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](COC(=O)c1ccccc1)C(=O)O.O,N[C@@H](COC(=O)c1ccccc1)C(=O)O.O,N[C@@H](COC(=O)c1ccccc1)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.919078092376074,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_db61e80aa64d34,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=CC(=O)O,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=CC(=O)O,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=CC(=O)O>>NCC(=O)O.Nc1ccccc1C(=O)CC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.721246399047171,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_db76b73da484ca,catpred_iteration1_kcat,kcat,O50214,O50214,MKKRIGIVGAGTAGLHLGLFLRQHDVDVTVYTDRKPDEYSGLRLLNTVAHNAVTVQREVALDVNEWPSEEFGYFGHYYYVGGPQPMRFYGDLKAPSRAVDYRLYQPMLMRALEARGGKFCYDAVSAEDLEGLSEQYDLLVVCTGKYALGKVFEKQSENSPFEKPQRALCVGLFKGIKEAPIRAVTMSFSPGHGELIEIPTLSFNGMSTALVLENHIGSDLEVLAHTKYDDDPRAFLDLMLEKLGKHHPSVAERIDPAEFDLANSSLDILQGGVVPAFRDGHATLNNGKTIIGLGDIQATVDPVLGQGANMASYAAWILGEEILAHSVYDLRFSEHLERRRQDRVLCATRWTNFTLSALSALPPEFLAFLQILSQSREMADEFTDNFNYPERQWDRFSSPERIGQWCSQFAPTIAA,C=Cc1ccccc1.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],C=Cc1ccccc1.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],C=Cc1ccccc1.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H]>>Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)c1[nH]c(=O)[nH]c(=O)c1N2.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.c1ccc([C@H]2CO2)cc1,public_strict_iteration1_fulltrue_msa,0.2041199826559248,,,s_a084a1d1334fa8b2443c43ba,test
catpreddb_kcat_kcat_db7eb648b4fa1a,catpred_iteration1_kcat,kcat,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-0.3098039199714864,,,s_b7052409576ea9e57f9adba3,test
catpreddb_kcat_kcat_db90ac5cfec678,catpred_iteration1_kcat,kcat,Q24JL3,Q24JL3,MKRAFSSQLRSAYPASKSTHFGRVMASSGSEAKANYAPISTNEPVVSVDWLHSNLGDADIKVLDASWYMAHEQRNPIQEYQVAHIPGALFFDLNGIADRKTNLRHMLPSEEAFAAGCSALGIENNDGVVVYDGMGLFSAARVWWMFRVFGHDKVWVLDGGLPKWRASGYDVESSVSNDAILKASAATEAIEKIYQGQTISPITFQTKFRPHLVLALDQVKENIEDKTYQHIDARSKARFDGIAPEPWKGLPSGHIPGSKCVPFPLMFDSSQTLLPAEELKKQFEQEDISLDSPIAASCGTGVTACILALGLYRLGKTNVAIYDGSWTEWATAPNLPIVGSSS,O=S(=O)(O)[S-].[C-]#N,O=S(=O)(O)[S-].[C-]#N,O=S(=O)(O)[S-].[C-]#N>>N#CS.O=S(O)O,public_strict_iteration1_fulltrue_msa,2.502427119984433,,,s_4444e71530bfb89335d6e15b,test
catpreddb_kcat_kcat_db939436411ccf,catpred_iteration1_kcat,kcat,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O,C=C(OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)O>>CC(=O)C(=O)O.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O,public_strict_iteration1_fulltrue_msa,1.100370545117563,,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_kcat_kcat_dbbff1d82c237a,catpred_iteration1_kcat,kcat,C0C0X3,C0C0X3,MIKSKEYKFWFCTGSQDLYGEECLAHVAEHSRRIVEALNASGALPYEVVWKPTLITNELIRKTFNEANTDETCAGVITWMHTFSPAKSWILGLQEYRKPLLHLHTQFNEEIPYDTIDMDFMNENQAAHGDREYGHIFSRLRMERKVVAGYWADPKVQKKIGSWMRTAVGVIESSHVRVMRIADNMRNVAVTEGDKVEAQIKFGWEVDTYPVNEIAEAVAEVSKSDIGTLVEEYYDKYDILLEGRDEKEFREHVAVQAGIEIGFERFLEERDYQAIVTHFGDLGSLKQLPGLAIQRLMEKGYGFGGEGDWKTAAMVRIMKIMTEGVKDARGTSFMEDYTYNLIPGKEGILQAHMLEVCPSVAEGPISIKCQPLTMGDREDPARLVFTSKEGPAVAASLIDLGDRFRLIINDVDCKKTEKPMPKLPVATAFWTPQPDLQTGAEAWILAGGAHHTAFSYDLSAGQLGDWADAMGIEAVYIDKNTEIRQFKNELRWNAAAYKLGI,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.4533183400470375,0.8864907251724818,,s_88e33f00379cfc0e09c8ceb2,test
catpreddb_kcat_kcat_dbded55bb4b3a7,catpred_iteration1_kcat,kcat,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC[C@H](C)[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CC[C@H](C)[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,CC[C@H](C)[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>CC[C@H](C)[C@H](N)C(=O)O.N=C(O)c1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,0.8014037100173551,,,s_ca16bb935eec639e78acc42f,test
catpreddb_kcat_kcat_dc05401ed87905,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)CO.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)C(=O)CO.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,0.7304592600457689,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_dc0c49eac1c6b4,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1.O,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1.O,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1.O>>CC1(C)C(C=C(Cl)Cl)C1C(=O)[O-].OCc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.481442628502305,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_dc29abef2eb33a,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.9395192526186184,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_dca93fc89f109d,catpred_iteration1_kcat,kcat,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C.O=O.[H+],C[C@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C.O=O.[H+],C[C@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C.O=O.[H+]>>C[C@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(O)CC[C@]12C.O,public_strict_iteration1_fulltrue_msa,0.2304489213782739,,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_kcat_kcat_dcb71f99ec525b,catpred_iteration1_kcat,kcat,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.N=C(N)NCCC[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CCC(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O.N=C(O)CC[C@H](N=C(O)[C@@H](N)Cc1cnc[nH]1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,0.2041199826559248,,,s_955f208818110e17c458234b,test
catpreddb_kcat_kcat_dd1d0c34db8497,catpred_iteration1_kcat,kcat,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C(O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C(O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C(O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC([n+]3cccc(C(=O)O)c3)C(O)C2O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.7315887651867388,,,s_b4fc93511b787a1abe84ae24,test
catpreddb_kcat_kcat_dd1d6da7aea8ae,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCCN)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_dd31e7fb004c86,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1.O,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1.O>>CC1(C)C(C=C(Cl)Cl)C1C(=O)O.OCc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.4771212547196624,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_dd6dee0e4295dd,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,O,O,O>>CC(=O)O,public_strict_iteration1_fulltrue_msa,1.0413926851582251,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_dd768ef258a2ed,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O,CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O,CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C.O>>C#N.CC1(C)C(C(=O)O)C1(C)C.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,0.4166405073382809,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_dd812407174923,catpred_iteration1_kcat,kcat,Q3SEZ6,Q3SEZ6,MSKLVRPHGGGELKPLLLTGDALSAEKARAASLPQLKMSSRETGDLIMMGIGGFTPLDGFMTKSDWQGVCDGYKMTNGLFWPIPITLSTDDESIKDGDELALVDAETGEIMGTMKVTDKYTIDKAHECMQVYKTTDMEHPGVKMVMAQGKYNLAGPVKVLSTGNFKEEYGEQFMTPAETRAKFEQMGWSRVAAFQTRNPMHRSHEYLAKIAIETMDGVLVHSLLGALKPGDIPAEVRSEAIATLIDNYFAPNTVIQAGYPLDMRYAGPREALLHALFRQNYGCSHLIVGRDHAGVGDYYGPFDAQKIFDEIPKGSLETVNMNIDWTFWCKKCGGMASQRTCPHTKDDRILLSGTKVRAMLSEGQDLPVEFSRPEVAKVLQKYYAGLSAEQNVKVELKGHSAA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2],Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2],Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2]>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2],public_strict_iteration1_fulltrue_msa,2.414973347970818,,,s_a2d3076d9d34a37b59469d1b,test
catpreddb_kcat_kcat_dd86d6483da7b1,catpred_iteration1_kcat,kcat,X5D911,X5D911,MRSLLFITLLLAFVASALAFDSDFLNEPVHDRVLIDKINNSPKVAWKATSYSQFEKMTLGEFRKRLGTVLIQKGTADMLPKKTIAPLVGAPAAFDSRTKWPNCVHPIRNQEQCGSCWAFSASEVLSDRFCIASTGKDNVVLSPQYMVSCDTSDYGCDGGYLNNAWNFLATTGIPTDSCVPYTSQNGDVAACPSTCQNGGSIKLYRAKNPQQLNDIPSIMADMEANGPVQAAFSVYRDFMSYKSGVYHHVSGSLLGGHAIKIVGWGVDSVSNKPYWIVANSWGPSWGLNGFFWILRGSDECGIEDNVWGAGVLL,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12.O>>CC(C)C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12,public_strict_iteration1_fulltrue_msa,-0.2907300390241692,,,s_3f9c08249d9bac9bb0a07ff1,test
catpreddb_kcat_kcat_dd88cf4eb4c2b2,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)C(O)C(O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)C(O)C(O)COP(=O)(O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(CO)C(O)C(O)COP(=O)(O)O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=P(O)(O)OCC(O)C(O)C(O)CO,public_strict_iteration1_fulltrue_msa,1.414973347970818,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_dd8e178ca8877d,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O>>O=[N+]([O-])c1ccc(O)cc1.O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.769551078621726,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_ddd4294ed16b6c,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.5734887386354248,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_dde1abd2ecb1dd,catpred_iteration1_kcat,kcat,Q04797,Q04797,MGRGLHVAVVGATGAVGQQMLKTLEDRNFEMDTLTLLSSKRSAGTKVTFKGQELTVQEASPESFEGVNIALFSAGGSVSQALAPEAVKRGAIVIDNTSAFRMDENTPLVVPEVNEADLHEHNGIIANPNCSTIQMVAALEPIRKAYGLNKVIVSTYQAVSGAGNEAVKELYSQTQAILNKEEIEPEIMPVKGDKKHYQIAFNAIPQIDKFQDNGYTFEEMKMINETKKIMHMPDLQVAATCVRLPIQTGHSESVYIEIDRDDATVEDIKNLLKEAPGVTLQDDPSQQLYPMPADAVGKNDVFVGRIRKDLDRANGFHLWVVSDNLLKGAAWNSVQIAESLKKLNLV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(CC(=O)OP(=O)(O)O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(CC(=O)OP(=O)(O)O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.NC(CC(=O)OP(=O)(O)O)C(=O)O.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.NC(CC=O)C(=O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.1598678470925667,,,s_06336e7cf06f5e32c70f215a,test
catpreddb_kcat_kcat_ddebf8b9639d05,catpred_iteration1_kcat,kcat,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(c1ccccc1)c1ccncc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O[C@@H](c1ccccc1)c1ccncc1,public_strict_iteration1_fulltrue_msa,-1.9208187539523751,,,s_2764a837703abb2f4c81a0d2,test
catpreddb_kcat_kcat_de7e0b5f5cd462,catpred_iteration1_kcat,kcat,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,O=O.[Cu+].[H],O=O.[Cu+].[H],O=O.[Cu+].[H]>>O.[Cu+2],public_strict_iteration1_fulltrue_msa,4.794348603896083,,,s_156ab3956782e3458257c298,test
catpreddb_kcat_kcat_de84b9c8d16378,catpred_iteration1_kcat,kcat,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CCC(=O)C(=O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC[C@@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.0791812460476249,,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_kcat_kcat_deac969308e5cb,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.5037906830571812,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_dec2c3286ff6ff,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.O,CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.O,CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1.O>>C#N.CC(C)[C@H](C(=O)[O-])c1ccc(Cl)cc1.O=Cc1cccc(Oc2ccccc2)c1,public_strict_iteration1_fulltrue_msa,-0.0409586076789063,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_dec78ce3808423,catpred_iteration1_kcat,kcat,O93627,O93627,MVEKFDTIYDYYVDKGYEPSKKRDIIAVFRVTPAEGYTIEQAAGAVAAESSTGTWTTLYPWYEQERWADLSAKAYDFHDMGDGSWIVRIAYPFHAFEEANLPGLLASIAGNIFGMKRVKGLRLEDLYFPEKLIREFDGPAFGIEGVRKMLEIKDRPIYGVVPKPKVGYSPEEFEKLAYDLLSNGADYMKDDENLTSPWYNRFEERAEIMAKIIDKVENETGEKKTWFANITADLLEMEQRLEVLADLGLKHAMVDVVITGWGALRYIRDLAADYGLAIHGHRAMHAAFTRNPYHGISMFVLAKLYRLIGIDQLHVGTAGAGKLEGGKWDVIQNARILRESHYKPDENDVFHLEQKFYSIKAAFPTSSGGLHPGNIQPVIEALGTDIVLQLGGGTLGHPDGPAAGARAVRQAIDAIMQGIPLDEYAKTHKELARALEKWGHVTPV,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O>>O=C(COP(=O)(O)O)C(=O)C(O)COP(=O)(O)O.OO,public_strict_iteration1_fulltrue_msa,1.2201080880400552,,,s_076a50cdebdc64e0dbaff408,test
catpreddb_kcat_kcat_deec687802bd1b,catpred_iteration1_kcat,kcat,P0CH36,P0CH36,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC=Cc1ccccc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC=Cc1ccccc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=CC=Cc1ccccc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCC=Cc1ccccc1,public_strict_iteration1_fulltrue_msa,1.2695129442179165,,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_kcat_kcat_df03ad0e3791b8,catpred_iteration1_kcat,kcat,A0A1S5R263,A0A1S5R263,MADTFTQRYALVTGANKGIGLEICRQLASKGIVVILASRDEKRGLEARERLLKESRSISDGDVVFHQLDVVDPASVVVVADFIKTKFGRLDILVNNAGVGGVEIEGDISVFQEYAEANLNIIAAKGAQAHPFHPKTNGKMIETLKDAKECIETNYYGTKRVTEALIPLLQKSDSPTIVNVSSALSTLLLQPNEWAKGVFSSEDSSLNEEKVEEVLHEFHKDFIDGKLQQNNWPPNFAAYKVSKEAVNAYTRIIARKYPSFCINSVCPGFVRTDICYSLGQLSEAEGAEAPVKLALLPRGGPSGSFFFREEALSLY,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)[C@@H]1CC[C@@H](C)CC1=O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,1.2201080880400552,,,s_2b36d9cf1f15751f8b1cf0b8,test
catpreddb_kcat_kcat_df04df52f0a4aa,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)cc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_df233cb74819f8,catpred_iteration1_kcat,kcat,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,-1.275724130399211,,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_kcat_kcat_df29dd75f8caa2,catpred_iteration1_kcat,kcat,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,COc1cc(/C=C/C(=O)O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(/C=C/C(=O)O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(/C=C/C(=O)O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.6532125137753437,,,s_a6bfd646457ffec3f91681c4,test
catpreddb_kcat_kcat_df352753e49389,catpred_iteration1_kcat,kcat,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,2.255272505103306,,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_kcat_kcat_df36a1a22562b0,catpred_iteration1_kcat,kcat,B2ZHM6,B2ZHM6,MAEALEVFVKAATGAPDKLGDCPFSQRVLLTLEEKQVPYNMKLIDTSNKPEWFLQINPEGKVPVIKIDDKWIPDSDVITQILEEKYPEPPLATPPEKATVGSKIFSTFIGFLKSKDPNDGTEQALLNELRAFDEYLKDNGPFINGEKISAADLSLAPKLYHMKVALGHFKKWSVPEEFTYVQSYMKAVFSRESFQRTNAADEQYIIAGWFPKVNA,N[C@@H](CS)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,N[C@@H](CS)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,N[C@@H](CS)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O>>O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,public_strict_iteration1_fulltrue_msa,1.0064660422492318,,,s_80559dadf76019b5f34f3c20,test
catpreddb_kcat_kcat_df3b30d89a0f1b,catpred_iteration1_kcat,kcat,E8MF13,E8MF13,MTSTGRFTLPSEENFAEKTKELAELWGADAIRNSDGTHLDEAVLALGKKIYNAYFPTRAHNEWITLHMDETPQVYLLTDRILAESDTVDIPLMESFFAEQLKPNRDADPHKYWEVVDRTTGEVVDSANWTLDADEDTVHVSGVAAWHEYTVSFLAYIIWDPVEMYNHLTNDWGDKEHEIPFDIYHPATRKFVFDTFEQWLKDSPQTDVVRFTTFFYQFTLLFDEKRREKVVDWFGCACTVSPRALDDFEAKYGYRLRPEDFVDGGAYNSAWRVPRKAQRDWIDFLSGFVRENVKQLADMSHAAGKEAMMFLGDQWIGTEPYKDGFDELGLDAVVGSIGDGTTTRMIADIPGVKYTEGRFLPYFFPDTFYEGNDPSIEGLDNWRKARRAILRSPISRMGYGGYLSLAAKFPKFVDTVTHIANEFRDIHDRTGGVAAEGELNVAILNSWGKMRSWMAFTVAHALPNKQTYSYYGILESLSGMRVNVRFISFDDVLAHGIDSDIDVIINGGPVDTAFTGGDVWTNPKLVETVRAWVRGGGAFVGVGEPSSAPRFQTGRFFQLADVIGVDEERYQTLSVDKYFPPVVPDHFITADVPVDPAAREAWEQAGYRIPLSGCGGGQSIKPLGGIDFGEPVLNTYPVNENVTLLRADGGQVQLATNDYGKGRGVYISGLPYSAANARLLERVLFYASHNEDKYAAWSSSNPECEVAHFPEQGLYCVINNTDQPQKTTVTLADGTTEDFDLPDSGIAWREA,CC(O)=N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CC(O)=N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,CC(O)=N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.0293837776852095,,,s_28331dccad3aff757c897b72,test
catpreddb_kcat_kcat_df49b103022842,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.5686362358410126,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_df88ba2cb2ec3b,catpred_iteration1_kcat,kcat,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,O.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC,O.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC,O.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC>>NCCCCC(N)C(=O)O.[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC,public_strict_iteration1_fulltrue_msa,1.2041199826559248,,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_kcat_kcat_dfc201c634ff33,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.O,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1.O>>,public_strict_iteration1_fulltrue_msa,-2.096910013008056,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_dfda6ff130f110,catpred_iteration1_kcat,kcat,A0A1I9WKA6,A0A1I9WKA6,MASKLCPASPALGFCNFSLPPKSRQLTETAFPKPTTKPWRNSASVHQSRAERRIPRVMSSAQSATQKQDENQNGSVNLEAGTVSKDLVSLPRPLSVTDLATPPSHGSQVRVAYQGVPGAYSETAALKAYSHCDAVPCEQFEAAFQAVELWLVDKAVLPIENSLGGSIHRNYDLLLRHRLHIVGEVKLAVHHCLLGLPGVKKEELKRVVSHPQALSQCEHTLSTLGVIREAVDDTAGAAQFIAANNLRDTGAVASARAAEIYGLQILADGIQDDSDNVTRFLMLAREPIIPRIDRPFKTSIVFTLEEGPGVLFKALAVFALRDINLTKIESRPQRKRPLRVVDDSNTGAAKYFDYLFYIDFEASMADPRAQNALGHLQEFATFMRVLGSYPMDMTPTGRL,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>O.O=C(O)C(=O)Cc1ccccc1.O=C=O,public_strict_iteration1_fulltrue_msa,-0.1452083059460145,-0.8239087409443188,,s_5a275342b31d3649493c42fd,test
catpreddb_kcat_kcat_dfdec072d4aa52,catpred_iteration1_kcat,kcat,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,C[C@@H](N)C(=O)O.O.O=O,C[C@@H](N)C(=O)O.O.O=O,C[C@@H](N)C(=O)O.O.O=O>>CC(=O)C(=O)O.N.OO,public_strict_iteration1_fulltrue_msa,2.2764618041732443,,,s_d9fe73494ede26238d4e9e26,test
catpreddb_kcat_kcat_e00d335104c25e,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)c2c(O)cccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2c(O)cccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)c2c(O)cccc2C1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CC1=CC(=O)c2c(O)cccc2C1=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.3979400086720376,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_e00f0294fe7342,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC1CCCC(=O)O1.O,CCCCCCCC1CCCC(=O)O1.O,CCCCCCCC1CCCC(=O)O1.O>>CCCCCCCC(O)CCCC(=O)O,public_strict_iteration1_fulltrue_msa,1.0449315461491602,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_e01c32dfb8f63a,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H],public_strict_iteration1_fulltrue_msa,2.397940008672037,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_e0227f4b370ee7,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,O.O=C1CCCCCO1,O.O=C1CCCCCO1,O.O=C1CCCCCO1>>O=C(O)CCCCCO,public_strict_iteration1_fulltrue_msa,0.8615344108590378,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_e034866d1214a8,catpred_iteration1_kcat,kcat,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_6a41f9ca86cba24130c89784,test
catpreddb_kcat_kcat_e03d8e52693b3e,catpred_iteration1_kcat,kcat,B6T563,B6T563,MKIIIDTDPGIDDSVAILMAFQMPGVQVLGLTTIFGNCTTEHATRNALILCEKASHLEVPVAEGSHEPLKGGKPHVADFVHGPDGLGNVDLPDPTIKKVEESATDFLVDKVSRFPGEVSVLALGPLTNIALAIKKDPSFVKNVKKIVVLGGAFFAAGNATPSAEANIHSDPEAADMVFTSGADIYVVGLNITTQVSFTDKDLLELRNSQGKYAQFLCDVCKFYLDWHTESYGAPVIFLHDPVSFAALVRPELFTFKKGVVRVETQGICVGHTSMDMLLKKWNSENPWTGYSPISVAWTVDVPKVVAFVKELVTKP,O.OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H]1O.Oc1nc(O)c2nc[nH]c2n1,public_strict_iteration1_fulltrue_msa,0.7923916894982539,,,s_29497d9eb647a01fb19fc6cf,test
catpreddb_kcat_kcat_e07690943789e0,catpred_iteration1_kcat,kcat,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.3617278360175928,,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_kcat_kcat_e0829b92aa7bc8,catpred_iteration1_kcat,kcat,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCCNCCCN=C(C)O.O,CC(O)=NCCCCNCCCN=C(C)O.O,CC(O)=NCCCCNCCCN=C(C)O.O>>CC(=O)O.NCCCCNCCCN,public_strict_iteration1_fulltrue_msa,-0.3187587626244128,,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_kcat_kcat_e0b7bf0a2846c5,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O.O>>CC(=O)O.CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,public_strict_iteration1_fulltrue_msa,0.8450980400142568,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_e0df6d7cbfa05f,catpred_iteration1_kcat,kcat,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.O,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.O,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.O>>CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1.CCCCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-3.0809219076239263,,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_kcat_kcat_e0eee66734eea6,catpred_iteration1_kcat,kcat,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NCCCC(N)C(=O)O.O,N=C(N)NCCCC(N)C(=O)O.O,N=C(N)NCCCC(N)C(=O)O.O>>NC(N)=O.NCCCC(N)C(=O)O,public_strict_iteration1_fulltrue_msa,2.397940008672037,,,s_58345ae90df4d9185ef408b3,test
catpreddb_kcat_kcat_e0fe5bf08b44fe,catpred_iteration1_kcat,kcat,Q8LPA6,Q8LPA6,MQRSGLRLASSRSAPIWKVGDVVLHGAAAEDNAQTRLVFSKDTKDFLSELNRQFAYEVVELSKHRKGLHESIRRTLPSGQVELPTLAGANDPNWKVAPTPEVLQKRRVEITGPANDAKMVINMLNSGADACMIDLEDAMAPSGKNVVEGHFNIYKAARGELVYEQPLGDGKFKRYQIGQTPSTLMVRVRGLHMKEVHATAAHVGPVPATLFDIGVHLANNGKYLQDHGLGPFLYIPKLHSGVEAEVLEKVLAYCEKQLQLTENGTKVTTLIETLPAIFQTEEIAYALKNRIVGQNCGRWDWLASRNYYLSGQKEAIHPDREYLGMEQSFNKAYSQRVCQTAKKRGFHAMGGMSAFIPVSGDQAKTAEAIQKVVVDKALEIENGHDGAWVAHPGMVEAVLDQFKKAFGDAPHQKSSSKSVDAKISTKDIIEVPKDLQDASKRTEKGLRQNISVALQYMGHYLQGNGAAGINNMMEDLATFEMSRHHIRSWVDSKVEITFADESRPDTLWVKPEDPGNLALKLNNFLGLQDKIQMVDTIHQLQALRSLPQGQFREGLRALQSQVNTYSDFHDISILADLEQGYGDVKYTRYGVTKAIQNGISMLHIEDQGPKKRCGHLGDKELDTFDHAIEIMTAANYAAQEVLGPEQAKENLCRFVFRTDALSATRIVYSKAVEDPSHIDHKYIDWDRGFCPDGRYLWLKKDTNPATGNPYGLDQSIDRASEMVRRGLASFVWMETPDAEVRIAQAFLEGVNERLKNTGRQALGLYNFSPSFIWDKNYYPDAKKLALQVATFAQDNLISRVQSGAISHEQAMSELKQFLDTNGDKVRGDHLFTTQNLERLYSHAMDHCRTANGWSGDITKANDLISQQFASNLKFRLQREIERTQQGGYNPVHHMSNIVVGQRIKHFSSALEKIGFMAQLITLPQFHTEAERGYSVARAYQQQGIEGYVQHVQRVEEHLPSGYTFLGHQKAVGTGVEAQLYENLFAKASAILHDSTEKHFH,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O.O=CC(=O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O.O=CC(=O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O.O=CC(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)C[C@H](O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.230448921378274,,,s_1dbd72bf0152d16fa32eb734,test
catpreddb_kcat_kcat_e105269793dda1,catpred_iteration1_kcat,kcat,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,O.OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O,O.OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O,O.OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O.OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-1.709965388637482,,,s_48e9b1367836a0093d7ae75d,test
catpreddb_kcat_kcat_e10d9153e85d9e,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O>>N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)Cc1ccccc1)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].N=C(O)CC[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(=O)O,public_strict_iteration1_fulltrue_msa,0.5563025007672873,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_e11961f3a11aad,catpred_iteration1_kcat,kcat,O28635,O28635,MAEFEIYREYVDKSYEPQKDDIVAVFRITPAEGFTIEDAAGAVAAESSTGTWTSLHPWYDEERVKGLSAKAYDFVDLGDGSSIVRIAYPSELFEPHNMPGLLASIAGNVFGMKRVKGLRLEDLQLPKSFLKDFKGPSKGKEGVKKIFGVADRPIVGTVPKPKVGYSAEEVEKLAYELLSGGMDYIKDDENLTSPAYCRFEERAERIMKVIEKVEAETGEKKSWFANITADVREMERRLKLVAELGNPHVMVDVVITGWGALEYIRDLAEDYDLAIHGHRAMHAAFTRNAKHGISMFVLAKLYRIIGIDQLHIGTAGAGKLEGQKWDTVQNARIFSEVEYTPDEGDAFHLSQNFHHIKPAMPVSSGGLHPGNLEPVIDALGKEIVIQVGGGVLGHPMGAKAGAKAVRQALDAIISAIPLEEHAKQHPELQAALEKWGRVTPI,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O.O=O>>O=C(COP(=O)(O)O)C(=O)C(O)COP(=O)(O)O.OO,public_strict_iteration1_fulltrue_msa,1.3636119798921444,,,s_f607cb2d497e3edc6baff1a2,test
catpreddb_kcat_kcat_e120a7be14f5d9,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(I)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(I)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(I)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=Nc1ccc(I)cc1,public_strict_iteration1_fulltrue_msa,-2.0087739243075053,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_e13b1cf4dee9e4,catpred_iteration1_kcat,kcat,D4N3A0,D4N3A0,MASFNRFCVSSLLAPNNSPQISNAPRSTAVPSMPTTQKWSITEDLAFISNPSKQHNHQTGYRIFSDEFYLKHENKLKDVRRALREVEETPLEGLVMIDTLQRLGIDYHFQGEIGALLQKQQRISTCDYPEHDLFEVSTRFRLLRQEGHNVPADVFNNFRDKEGRFKSELSRDIRGLMSLYEASQLSIQGEDILDQAADFSSQLLSGWATNLDHHQARLVRNALTHPYHKSLATFMARNFNYDCKGQNGWVNNLQELAKMDLTMVQSMHQKEVLQVSQWWKGRGLANELKLVRNQPLKWYMWPMAALTDPRFSEERVELTKPISFIYIIDDIFDVYGTLEELTLFTDAVNRWELTAVEQLPDYMKICFKALYDITNEIAYKIYKKHGRNPIDSLRRTWASLCNAFLEEAKWFASGNLPKAEEYLKNGIISSGMHVVTVHMFFLLGGCFTEESVNLVDEHAGITSSIATILRLSDDLGSAKDEDQDGYDGSYLECYLKDHKGSSVENAREEVIRMISDAWKRLNEECLFPNPFSATFRKGSLNIARMVPLMYSYDDNHNLPILEEHMKTMLYDSSS,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>C=CC(C)(O)CCC=C(C)C.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.3565473235138126,,,s_0e2e8568a29953235c8ab9bd,test
catpreddb_kcat_kcat_e1468b5186d7df,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(C)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)C(O)C(=O)[O-].NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-0.7399286120149252,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_e1498c4976846c,catpred_iteration1_kcat,kcat,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1.N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1.N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,public_strict_iteration1_fulltrue_msa,-1.0457574905606752,,,s_0ad9625fa36195c17c775d5c,test
catpreddb_kcat_kcat_e14a0c968847a7,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O,CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O,CC(C)C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,-0.4559319556497244,0.0791812460476248,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_e15c475eabf6aa,catpred_iteration1_kcat,kcat,A0A446ZJB9,A0A446ZJB9,MYRTIETILVDIPTIRPHQLSVTTMRTQTLVLVKITTTDGIVGWGEATTIGGLNYGEESPESVKANIDTYFAPLLTSVKDLNVAQTLKLIRKNINGNRFAKCAIQTALLDIQAKRLGVPLSEVLGGRLRNSLPVLWTLASGDTEKDIAEARKMIELKRHNTFKLKIGARPLQHDVDHVIAIKKALGADISVRVDVNRAWSELECIQGIQQLQDGGIDLIEQPCAIQNTEALARLTHRFDVAIMADEALTGPDSAYRISKNHGADVFAVKIEQSGGLIEACEVAKIAGLAGIDLYGGTMLEGPVGSIASAHAFATFETLAFGTELFGPLLLTEEILKEPLRYENFELHLPTAPGLGIEIDENKVEKLRR,CC(/C=C\C(=O)O)=C/C(=O)O,CC(/C=C\C(=O)O)=C/C(=O)O,CC(/C=C\C(=O)O)=C/C(=O)O>>CC1(CC(=O)O)C=CC(=O)O1,public_strict_iteration1_fulltrue_msa,5.033423755486949,-1.00436480540245,,s_b983aaa3af70d46ab841606f,test
catpreddb_kcat_kcat_e16816da255b5e,catpred_iteration1_kcat,kcat,P00376,P00376,MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.7634279935629373,,,s_5782e3570fd8e47d095ef392,test
catpreddb_kcat_kcat_e1acf386131865,catpred_iteration1_kcat,kcat,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21.O,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21.O,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21.O>>,public_strict_iteration1_fulltrue_msa,-1.42021640338319,,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_kcat_kcat_e1cf333604dd36,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CCCC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,1.7853298350107671,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_e1d90844520c6e,catpred_iteration1_kcat,kcat,P16303,P16303,MRLYPLVWLFLAACTAWGYPSSPPVVNTVKGKVLGKYVNLEGFAQPVAVFLGIPFAKPPLGSLRFAPPQPAEPWNFVKNTTSYPPMCSQDAVGGQVLSELFTNRKENIPLQFSEDCLYLNVYTPADLTKNSRLPVMVWIHGGGLVVGGASTYDGQVLSAHENVVVVTIQYRLGIWGFFSTGDEHSQGNWGHLDQVAALHWVQDNIANFGGNPGSVTIFGESAGGFSVSALVLSPLAKNLFHRAISESGVVLTSALITTDSKPIANLIATLSGCKTTTSAVMVHCLRQKTEDELLETSLKLNLFKLDLLGNPKESYPFLPTVIDGVVLPKTPEEILAEKSFNTVPYIVGINKQEFGWIIPTLMGYPLSEGKLDQKTAKSLLWKSYPTLKISEKMIPVVAEKYFGGTDDPAKRKDLFQDLVADVMFGVPSVMVSRSHRDAGAPTFMYEFEYRPSFVSAMRPKTVIGDHGDELFSVFGSPFLKDGASEEETNLSKMVMKYWANFARNGNPNGGGLPHWPEYDQKEGYLKIGASTQAAQRLKDKEVAFWSELRAKEAAEEPSHWKHVEL,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.O,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.O,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.O>>CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1.CCCCCCCCCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-2.397940008672037,,,s_7e31156bec58f136315549ae,test
catpreddb_kcat_kcat_e1eb12197e472a,catpred_iteration1_kcat,kcat,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccn1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccn1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccccn1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OCc1ccccn1,public_strict_iteration1_fulltrue_msa,2.957128197676813,,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_kcat_kcat_e21ba6041fc69f,catpred_iteration1_kcat,kcat,Q02567,Q02567,MAFKSLIAFVALAAAVRAAPTAVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSANNGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGGFTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQSDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCPSERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA,OO.[H].[Mn+2],OO.[H].[Mn+2],OO.[H].[Mn+2]>>O.[Mn+3],public_strict_iteration1_fulltrue_msa,2.4082399653118496,,,s_b994a3b9aa22f2c21cb44923,test
catpreddb_kcat_kcat_e243da9f2212a0,catpred_iteration1_kcat,kcat,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.8920946026904804,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_e29490091eea2a,catpred_iteration1_kcat,kcat,E2CWD2,E2CWD2,MAPKSSTRVPLSVKGPIDCPYEGKEMLNLPQFNRGTAFTAEERDLFNLVGNLPAALQTLQNQVDRAYDQYSSISTALGKNTFLMSLKVQNEVLYFKLLQDHLKEMFSIIYTPTESEAIEHYSRLFRRPEGCFLNINHPEYIERSLAAWGTEEDIDYIIVSDGEEILGIGDQGVGAIGISSAKAVLMTLCAGVHPSRCIPVALDVGTDNEQLLEDELYLGNRHNRVRGGRYDKFVDDFVQCVKKLYPRAVLHFEDFGLPNARRLLDTYRPRLACFNDDVQGTGAVTLAALSSAVRVAGIDFRDLRTVIFGAGTAGTGIADQLRDFLNTQGISKQQVIDHIWLVDKPGLLLKSMHDKLTSAQRPYAASDDRWKEIDTKSLSEIVKKVKPHVLIGCSTKPKAFNEAVLREMAKHVERPIVFPLSNPTRLHEATPAEIFKYTDGKALVATGSPFDPVDGKEIAENNNCFVYPGIGMGSILSRADRVTETMIAAVVKELASLAPSEKDPTGALLPDVADIRDISAKIATAVVLQALEEGTARVEEIEGIKVPRDRDHCLEWVKEQMWQPEYRPLRKV,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(O)C(=O)O>>CC(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C=O.[H],public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_7575381591ce1f3fb1ab1419,test
catpreddb_kcat_kcat_e2e6e08575a71c,catpred_iteration1_kcat,kcat,Q9FMT1,Q9FMT1,MAAFLQTNISLNAIKIVPGKYSSLTDHQFRAPYRIRCAAASPGKKRYNIALLPGDGIGPEVISVAKNVLQKAGSLEGLEFDFKEMPVGGAALDLVGVPLPEETFTAAKLSDAILLGAIGGYKWDKNEKHLRPEMALFYLRRDLKVFANLRPATVLPQLVDASTLKKEVAEGVDMMIVRELTGGIYFGEPRGITINENGEEVGVSTEIYAAHEIDRIARVAFETARKRRGKLCSVDKANVLDASILWRKRVTALASEYPDVELSHMYVDNAAMQLIRDPKQFDTIVTNNIFGDILSDEASMITGSIGMLPSASLGESGPGLFEPIHGSAPDIAGQDKANPLATILSAAMLLKYGLGEEKAAKRIEDAVVDALNKGFRTGDIYSPGNKLVGCKEMGEEVLKSVESKVPATV,CSCCC(O)(CC(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CSCCC(O)(CC(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CSCCC(O)(CC(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.7958800173440752,,,s_432bb4b606ec423ec0d88ead,test
catpreddb_kcat_kcat_e303a870d10172,catpred_iteration1_kcat,kcat,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>OC1COC(O)C(O)C1O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.4436974992327127,,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_kcat_kcat_e32117b645762b,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.3665315444204136,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_e32cfa9d1dab08,catpred_iteration1_kcat,kcat,Q8YWS9,Q8YWS9,MKTPPINQKSLRETESWKLLESSIIYYEGNPIGTVAAQDPELAALNYDQCFLRDFVPSAFVFLMDGQTDIVRNFLIETLTLQSHEKEMDCFQPGAGLMPASFKVESDGSKEYLVADFGEKAIARVPPVDSCMWWILLLRAYEKATGDLTLAREPKFQAGIKLILDLCLAHRFSMYPTMLVPDGAFMIDRRMGVYEHPLEIQVLFYAALRAARELLLPDGDGEQYLNKVHGRLGALQYHIRNYYWVDLKRLREIYRYKGNEFGKEIANKFNIFSQSIPDWVIEWLPEKGGYLAGNLGPGRMDFRFFALGNLMAILAGLASEEESQRIMNLFAHRWEDLIGYMPVKICYPALQGLEWQIVTGCDPKNIPWSYHNGGNWPVLLWLFTAAALKTGKVELAHEAIAIAEGRLSNDKFPEYYDGNNGRLIGKEARIYQTWSIAGLLVAKQFLANPDHVEFISFPDTFIGPGCSL,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.867467487859052,,,s_a0fb7a77aab45d8fcb52ca9f,test
catpreddb_kcat_kcat_e333a62068ff4a,catpred_iteration1_kcat,kcat,P35623,P35623,MAAPVNKAPRDADLWSLHEKMLAQPLKDNDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELEVLCQKRALQVYGLDPECWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPRLIIAGTSCYSRNLDYARLRKIADDNGAYLMADMAHISGLVAAGVVPSPFEHCHVVSTTTHKTLRGCRAGMIFYRKGVRSVDPKTGKETRYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTPEFRAYQRQVVANCRALAEALMGLGYRVVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDKSALRPSGLRLGTPALTSRGLLEEDFRKVAHFIHRGIELTLQIQDAVGVKATLKEFMEKLAGAEEHQRAVTALRAEVESFATLFPLPGLPGF,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O>>CC=O.NCC(=O)O,public_strict_iteration1_fulltrue_msa,0.568201724066995,-0.1549019599857432,,s_07399be96e3bf35be969a896,test
catpreddb_kcat_kcat_e371488545f6b8,catpred_iteration1_kcat,kcat,Q7X9A9,Q7X9A9,MMAAKGSVVVGVLAIVAYALVVSEVAIAAQISSFNRTSFPDGFVFGAASSAYQFEGAAKEGGKGPNIWDTFTHEFPGKISNGSTGDVADDFYHRYKEDVKVLKFIGLDGFRMSISWARVLPRGKLSGGVNKEGIAFYNNVINDLLSKGIQPFITIFHWDLPQALEDEYGGFLSPHIVNDFRDFAELCFKEFGDRVKHWITMNEPWSYSYGGYDAGLLAPGRCSAFMAFCPKGNSGTEPYIVTHNLLLSHAAAVKLYKEKYQAYQKGQIGITLVTYWMIPYSNSKADKDAAQRALDFMYGWFIEPLSFGEYPKSMRRLVGKRLPRFTKEQAMLVKGSFDFLGLNYYIANYVLNVPTSNSVNLSYTTDSLSNQTAFRNGVAIGRPTGVPAFFMYPKGLKDLLVYTKEKYNDPVIYITENGMGDNNNVTTEEGIKDPQRVYFYNQHLLSLKNAIAAGVKVKGYFTWAFLDNFEWLSGYTQRFGIVYVDFKDGLKRYPKHSALWFKKFLLK,O.O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,O.O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O>>OCCc1ccccc1.O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.6414741105040995,,,s_1b717c1b1b8af20d863e8098,test
catpreddb_kcat_kcat_e3958d115f7372,catpred_iteration1_kcat,kcat,O08467,O08467,MNEIKGIERAVQVEVPRPRFLLLAFTDINGSLKGMEIPMERYEEAVEDGVSFDGSSIPGFEGIEDSDLIFKADPSTYAEIPWEGIGRVYGYIYKGDEPYQADPRGILKRVLERLEKEGLKAHIGPEPEFYIFKKNGTWELHIPDSGGYFDLVGLDKAREIRREIALYMPYLGLKPEVLHHEVGKAQHEIDFRYDEALRTADNIVSFKHVVKAVAELHGYYATFMPKPIYGFPGNGMHLHISLWKDGENVFIGEDGLSDTALHFIGGILKHAKALAALTNPTVNSYKRLVPGYEAPVYISWGYRNRSALIRVPAFKGSGARIEYRCPDPSANPYLALAGILMVGLDGIKKKVEPDSYVETNVYEMDDAERERLGIDTLPGSLGEALEELKKDKTVREALGGAYKNFIDYKEREWEEYIEYLSSRDIPIDTKKVTEWELERYFYV,N.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N.N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>N=C(O)CC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.5622928644564746,,,s_65f56d67ce4d07a65643cb4e,test
catpreddb_kcat_kcat_e3a23d4702d01b,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,CSC[C@H](N)C(=O)O.O,CSC[C@H](N)C(=O)O.O,CSC[C@H](N)C(=O)O.O>>CC(=O)C(=O)O.CS.N,public_strict_iteration1_fulltrue_msa,0.0530784434834196,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_e3ae590ee3376d,catpred_iteration1_kcat,kcat,Q9CKB0,Q9CKB0,MKNLKGIFSALLVSFNADGSINEKGLRQIVRYNIDKMKVDGLYVGGSTGENFMLSTEEKKEIFRIAKDEAKDEIALIAQVGSVNLQEAIELGKYATELGYDSLSAVTPFYYKFSFPEIKHYYDSIIEATGNYMIVYSIPFLTGVNIGVEQFGELYKNPKVLGVKFTAGDFYLLERLKKAYPNHLIWAGFDEMMLPAASLGVDGAIGSTFNVNGVRARQIFELTQAGKLKEALEIQHVTNDLIEGILANGLYLTIKELLKLDGVEAGYCREPMTKELSPEKVAFAKELKAKYLS,CC(=O)C(=O)O.CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(=O)C(=O)O.CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(=O)C(=O)O.CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)O)C[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.0413926851582251,,,s_4e42204780ed0b8eec266a30,test
catpreddb_kcat_kcat_e3eb41977e8ec5,catpred_iteration1_kcat,kcat,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,ClCCCCCCl.O,ClCCCCCCl.O,ClCCCCCCl.O>>OCCCCCCl.[Cl-],public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_e220e6dd4311615191e3744b,test
catpreddb_kcat_kcat_e405590f40e997,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.552841968657781,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_e422aac5e43708,catpred_iteration1_kcat,kcat,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+],public_strict_iteration1_fulltrue_msa,1.8444771757456813,,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_kcat_kcat_e433c663084a40,catpred_iteration1_kcat,kcat,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](C)N=C(C)O.O,COC(=O)[C@H](C)N=C(C)O.O,COC(=O)[C@H](C)N=C(C)O.O>>CC(O)=N[C@@H](C)C(=O)O.CO,public_strict_iteration1_fulltrue_msa,1.4608978427565478,,,s_2d84b510953f7377dca5997d,test
catpreddb_kcat_kcat_e4e06d63f300f9,catpred_iteration1_kcat,kcat,A5Y5L5,A5Y5L5,MNHHLIITPIFHLQIMLPVATLKRPPPPAATCSIYSFSRGTPSLVSKARLSTAAVGGMKNEPSPNHYSDISSSDLNLTRRSGNYGPTMWDFEYIQSIHNDYTEKKYMNRLNKLKEEMKKMIMAEGSQELEKLELIDNLQRLGVSYHFKHEIMQILSSIKQHSTPADSLYATALKFRLFREYGFHISQEIFGGLSETHTEDTKGMLYLYEASFLATEGESELEKARNWTEKHLREYLENKNDDQNVAELVHHALELPLHWRMLRIEARWFINFYKKKQDMIPLLLELAILDFNIVQAAHIEDLKYVARWWKETCLAENLPFARDRLVENFFWTIGVNFLPQYGYFRRIETKVNALVTTIDDVYDVFGTMDELQCFTHAFQRWNIDELDNLPDNMKMCYFALDNFINEVAGDAFEEHRVPILSYLRNAWTDLCKAYLREAKWYFSKYIPTMEEYMDNAWISISAPVILVHAYFLVANPVNKEVLHYLENYHDIIRWSALILRLANDLGTSSEELKRGDVPKSIQCYMNEKKVSEEEARQHIRLLISETWKKLNEAHNVAAHPFPKMFVKCAMNLARMAQCMYQHGDGHGHGDLNSETTNHIMALLFESIPPA,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>CC12CCC(CC1)C(C)(C)O2.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-3.3872161432802645,,,s_cc042cce2b2312b89e855cd8,test
catpreddb_kcat_kcat_e5051892c8de66,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,O.O=C1CCCO1,O.O=C1CCCO1,O.O=C1CCCO1>>O=C(O)CCCO,public_strict_iteration1_fulltrue_msa,0.7596678446896306,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_e50ffab0c92d4e,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O>>Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.05307844348342,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_e52dcbdc037cbb,catpred_iteration1_kcat,kcat,A0A2J9QFK1,A0A2J9QFK1,MAKKLLGIDLGGTSIKFGILTLDGQVQEKWAIETNILEDGKHIVPDIVSSIKHRLGLYNLTKEDFVGIGMGSPGAVDRNLKTVTGAFNLNWAATQEVGTIIEAELGIPFAIDNDANVAALGERWVGAGNNNPDVVFVTLGTGVGGGIIADGNLIHGVAGAGGEIGHIIVEPDTGFECTCGNKGCLETVASATGVVRVARHLAEEYEGISSIKAGIDNGDDVSSKDIFVAAQAGDKFANSVVEKVTFYLGLATANISNILNPNTVVVGGGVSAAGEFLRSHIESYFKLYAFPQVKQSTKIKIAELGNDAGIIGAASLAHQFLES,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.6127838567197355,,,s_a668980814b2775a4189bbf4,test
catpreddb_kcat_kcat_e57b52bc4e9e6c,catpred_iteration1_kcat,kcat,A0A0U4MRI4,A0A0U4MRI4,MNTTGIGLQEVRAAYQRIQGWIHRTPVFTNEGLNKVSGRQLFFKAENLQKTGAFKARGACNAVFLEKEENPKSPGVVTHSSGNHGQAVAYAAKCAGLPCSVVVPKGTPKVKCDAIVNYGAELVFCEPSPAARKEVCAQIAEATGKAIIHPFDNYNVMAGQGTIALELLEEVPDLDAILVPISGGGMTSGIAVATHGLNPNCRVYAVEPFGKELQRSLENKKRMWDNPPRFLETIADAIRTQQVGDLTFPILCDYAESKVFSVTDDQMIEGMRFIFERMKLVVEAASGAAVYAAMNSLEDVTPPPRKVGVILCGGNVDLDHLPWIDRKTSY,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>N[C@H](CO)C(=O)O,public_strict_iteration1_fulltrue_msa,-2.0599818449923366,2.164352855784437,,s_9f5b1ae45b3fab6d3095d7a6,test
catpreddb_kcat_kcat_e585833ebb20ce,catpred_iteration1_kcat,kcat,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@@H](O)[C@@H](CN)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@@H](O)[C@@H](CN)O2)c(=O)nc1O.O=P(O)(O)O,Cc1cn([C@H]2C[C@@H](O)[C@@H](CN)O2)c(=O)nc1O.O=P(O)(O)O>>Cc1cnc(O)nc1O.NC[C@H]1OC(OP(=O)(O)O)C[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.2365720064370627,,,s_3be5357697ef18007ae0960b,test
catpreddb_kcat_kcat_e5a44e9c091960,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.008600171761917,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_e5a528df496adc,catpred_iteration1_kcat,kcat,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.0,,,s_38095aa1b1ee0421254bd92b,test
catpreddb_kcat_kcat_e5e3db5fb2b882,catpred_iteration1_kcat,kcat,A0A0N9LF81,A0A0N9LF81,MKLVCSVLFVLLILPMCRSSPLQDTCRSFAAGHPSIGYDYCIRIFQADKSSAEATDARGLAAIAARIAEAKANATAARIASMSALERDARRRDRLSVCAEVYSDAVDQLDQAEEELAHGAKGGGGGIDDAVTQLSAALDAPETCEDAFGEADDTSPLAAEDTEFKNLATVALAIAASLAPPPSMPS,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.3222192947339193,,,s_cf8f0b9035eaead8273c1cd8,test
catpreddb_kcat_kcat_e618efd28f7892,catpred_iteration1_kcat,kcat,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,C[C@H](N)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+],C[C@H](N)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+],C[C@H](N)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CC(=O)O.[H+]>>C[C@H](NCC(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,1.7134905430939424,,,s_60739e58ddb317a5c595f6fd,test
catpreddb_kcat_kcat_e63d273d0c8a1c,catpred_iteration1_kcat,kcat,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)(CO)C(O)C1O>>O=P(O)(O)O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.2278867046136734,,,s_d7aace9489d7fde5984a141e,test
catpreddb_kcat_kcat_e6461160ee45b8,catpred_iteration1_kcat,kcat,A0A067YIW8,A0A067YIW8,MAIPDEFDIIVVGGGSTGCCIAGRLGNLDPNVTVALIEGGENNLNNPWVYLPGVYPRNMRLDSKTATFYEARPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWESEGWTTDELMPLIRKLETYQRPCNNRELHGFDGPIKVSFGNYTYPTCQDFLRACESQGIPYVDDLEDFKTSHGAEHWLKWINRDLGRRSDTAHAYIHPTMRNKQNLFLITSTKCDKVIIEDGKAVAVKTVAMKPVNTKKCHGRTYKARKQIVVSCGTISSPLVLQRSGIGAAHHLRSVGIKPIVDLPGVGENFQDHYCFFTPYYVKPGVPTFDDFVRGDPVAQKSAFDQWYSNKDGPLTTNGIEAGVKIRPTEEELATADEDFRAGYADYFENKPDKPLMHYSVISGYFGDHTKIPNGKFMTMFHFLEYPFSRGFVRVTSANPYDAPDFDTGFLNDERDLWPMVWAYKKSRETARRMESFAGEVTSHHPLFKVDSPARAKDLDLETCNAFAGPNHLTANLYHGSWTVPIEKPSGKNTQHVSSNQVEIFSDIEYSAEDDEAIVNYIKEHTETTWHCLGTCSMAPREGSKIAPKGGVVDCRLNVHGVQNLKVADLSICPDNVGCNTYSTALTIGEKCATLVAEDLGYSGSDLDMTIPNFKLGTYEETGLARF,CO.O=O,CO.O=O,CO.O=O>>C=O.OO,public_strict_iteration1_fulltrue_msa,1.78161178249315,,,s_fd3ef2f6ad3f9712e85b68df,test
catpreddb_kcat_kcat_e65465d6419d14,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O>>,public_strict_iteration1_fulltrue_msa,1.7686381012476144,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_e665e1208548b0,catpred_iteration1_kcat,kcat,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C/C=C/c1ccc(O)cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C/C=C/c1ccc(O)cc1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C/C=C/c1ccc(O)cc1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC/C=C/c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.141763230275788,,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_kcat_kcat_e68aae671d0d8f,catpred_iteration1_kcat,kcat,B4XY98,B4XY98,MAAGSGSGTPPGTPPPTLLTDLATGLWKTQTLTAAIETGLFEALAAGDADAPETAQRLGIGKRPAEILLTACTALGLLEQRDGRYRNTAVAAHYLVPGLPDYFGGYVQMVARYTAPGWLRATEAVRTDAPTKPVPDPDRNMFEEGNRPESFWEGLFTFSTLTARQLAASVDLSGVRRIMDVGGGAGATLIELCRQHPHLSGTVVDLPHVCALAGERIAAAGMTGRIDTAAADFFADPLPSGHDAVLLSMILHDWDESQNRKILASCLDALPSGGTVLISELLVDDDKSGPVDAALMSMNMLVGTWGRNYTGAEYTDWLRDAGCSEVRTVRFASPGANGVVAGVKA,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cccc2c(C(=O)O)cc(O)cc12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cccc2c(C(=O)O)cc(O)cc12,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Cc1cccc2c(C(=O)O)cc(O)cc12>>COc1cc(C(=O)O)c2cccc(C)c2c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.136677139879544,,,s_a3d4e4197a9eaac639f182b1,test
catpreddb_kcat_kcat_e69ba1f23fa5e1,catpred_iteration1_kcat,kcat,P47820,P47820,MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYNSSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTDQKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESPSFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNYDWWYFSNKIAKLNGYSDAGDSWRSSYESDDLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFIIQFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSASAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS,CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C.O,CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C.O,CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C.O>>CC(C)CC(N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(C)C)C(C)C.CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(=O)O)[C@@H](C)O)C(C)C)C(C)C.CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)C(C)C.C[C@@H](O)[C@H](N)C(O)=N[C@@H](CCC(=N)O)C(=O)O.N=C(N)NCCC[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,2.361727836017593,,,s_3b2b69fed0c36508bc49125a,test
catpreddb_kcat_kcat_e6ac0c9235a934,catpred_iteration1_kcat,kcat,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1OC[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1OC[C@@H](O)[C@H](O)[C@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1OC[C@@H](O)[C@H](O)[C@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1OC[C@@H](O)[C@H](O)[C@H]1O.[H+],public_strict_iteration1_fulltrue_msa,1.7853298350107671,,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_kcat_kcat_e6c23292b9c08c,catpred_iteration1_kcat,kcat,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,O=C(c1ccccc1)C(O)c1ccccc1,O=C(c1ccccc1)C(O)c1ccccc1,O=C(c1ccccc1)C(O)c1ccccc1>>O=Cc1ccccc1.O=Cc1ccccc1,public_strict_iteration1_fulltrue_msa,1.825426117767824,-1.5273109370204456,,s_1f8beb386de84deb2f180511,test
catpreddb_kcat_kcat_e6cc3393ca7ffa,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,N[C@@H](CCCCC(=O)[O-])C(=O)[O-].O=C(O)CCC(=O)C(=O)O,N[C@@H](CCCCC(=O)[O-])C(=O)[O-].O=C(O)CCC(=O)C(=O)O,N[C@@H](CCCCC(=O)[O-])C(=O)[O-].O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=C([O-])CCCCC(=O)C(=O)[O-],public_strict_iteration1_fulltrue_msa,-0.2757241303992109,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_e6ff4b74e072a5,catpred_iteration1_kcat,kcat,I3RYX9,I3RYX9,MNLEKFVDELPIPEVAEPVKKNPRQTYYEIAMEEVFLKVHRDLPPTKLWTYNGSLPGPTIHANRNEKVKVKWMNKLPLKHFLPVDHTIHEGHHDEPEVKTVVHLHGGVTPASSDGYPEAWFSRDFEATGPFFEREVYEYPNHQQACTLWYHDHAMALTRLNVYAGLAGFYLISDAFEKSLELPKDDYDIPLMIMDRTFQEDGSLFYPSRPNDTPEDSDIPDPSIVPFFCGETILVNGKVWPYLEVEPRKYRFRILNASNTRTYELHLDNDATIMQIGSDGGFLPRPVRHQSFSIAPAERFDVIIDFSAYENKTITLKNTAGCGQDVNPETDANIMQFKVTRPLKGRVPKTLRPIFKPLPPLRPSRADRERTLTLTGTQDKYGRPILLLDNHFWNDPVTENPRLGSLEVWSIVNPTRGTHPIHLHLVQFRVIDRRPFDTEVYQSTGEIVYTGPNEAPPLHEQGYKDTIQAHAGEVIRIVARFVPYTGRYVWHCHILEHEDYDMMRPMDIIQ,COc1ccccc1O.O=O,COc1ccccc1O.O=O,COc1ccccc1O.O=O>>COC1=CCC=CC1=O.O,public_strict_iteration1_fulltrue_msa,1.6020599913279625,,,s_a45c77f876b0fbcc5adde9ef,test
catpreddb_kcat_kcat_e73cdad157b8bc,catpred_iteration1_kcat,kcat,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.1611509092627447,,,s_05faba509306d0ae6d9f3eea,test
catpreddb_kcat_kcat_e745633bdc6e08,catpred_iteration1_kcat,kcat,Q1PCB1,Q1PCB1,MSQDDTPRVLSIQSHVVHGYVGNKSAVFPLQVLGFEVDSINTVQFSTHTAYKHIKGYVLNNDQMKELVEGLVLNEVDYYTHFLTGYSRSPDSLREIAKIIKQLREKNPNLIYVCDPVMGDNGKMYVPEEILPVYRDVLVPLADILTPNQFEAELITGIPMKDLDGALRVIQRLHDMGVKTVVLSSTDLGDEENMIGLASTGGSCYKIPIPKVEATFTGTGDLFAALFLAWSHLTGNDVKLALEKTIATLQSIVVDTYQTARASHLTGKIPPRFTELRLVQNKTVIEDPKIKLKAVKIN,Cc1ncc(CO)c(C=O)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1ncc(CO)c(C=O)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Cc1ncc(CO)c(C=O)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Cc1ncc(COP(=O)(O)O)c(C=O)c1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.1303337684950061,,,s_e4df4f79e9904a90c075dd02,test
catpreddb_kcat_kcat_e74b7cdda0f82e,catpred_iteration1_kcat,kcat,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(Br)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(Br)cc1,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccc(Br)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)=Nc1ccc(Br)cc1,public_strict_iteration1_fulltrue_msa,-2.065501548756432,,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_kcat_kcat_e753f3849636b5,catpred_iteration1_kcat,kcat,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCCS.O.O=O,NCCS.O.O=O,NCCS.O.O=O>>N.O=CCS.OO,public_strict_iteration1_fulltrue_msa,0.0453229787866574,,,s_7ed9ac5c23544be7912027e6,test
catpreddb_kcat_kcat_e75712eaf9f0af,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-2.4814860601221125,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_e75ddf245dd1db,catpred_iteration1_kcat,kcat,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O.CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CC(C)C)C(=O)O,public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_kcat_kcat_e767bae24e6895,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.O,CC(O)=Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.O,CC(O)=Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1.O>>,public_strict_iteration1_fulltrue_msa,2.004321373782642,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_e76c4cbdc8c3ab,catpred_iteration1_kcat,kcat,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.8388490907372553,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_e78b78e1de5dbd,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],public_strict_iteration1_fulltrue_msa,2.380211241711606,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_e7a19425aada08,catpred_iteration1_kcat,kcat,P60472,P60472,MMLSATQPLSEKLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRERRFGGTEPGDETA,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O>>CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.3979400086720376,,,s_6db7608dd527a3a642114dbe,test
catpreddb_kcat_kcat_e7bca4cacc8707,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC1COC(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.093421685162235,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_e7c0e633c3bd4f,catpred_iteration1_kcat,kcat,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)n1.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.173186268412274,-1.2328441339178196,,s_b4fc93511b787a1abe84ae24,test
catpreddb_kcat_kcat_e7cb11d6a3023a,catpred_iteration1_kcat,kcat,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCCCCCCCCCCC(=O)O.O=O,CCCCCCCCCCCCCC(=O)O.O=O,CCCCCCCCCCCCCC(=O)O.O=O>>O.O=C(O)CCCCCCCCCCCCCO,public_strict_iteration1_fulltrue_msa,-0.0809219076239261,,,s_e8cf4514befa1a1899f825d0,test
catpreddb_kcat_kcat_e803f09b36ac5f,catpred_iteration1_kcat,kcat,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>O=P(O)(O)O.O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.383815365980431,,,s_d7aace9489d7fde5984a141e,test
catpreddb_kcat_kcat_e81cd45e9aa919,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O.O>>CC(=O)O.CC(O)=N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.9304395947667,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_e825eb4511cebd,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(O)CC(=O)[O-],public_strict_iteration1_fulltrue_msa,-0.744727494896694,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_e8276e5c058845,catpred_iteration1_kcat,kcat,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1cccc(O)c1,public_strict_iteration1_fulltrue_msa,1.1986570869544226,,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_kcat_kcat_e843de0f4318be,catpred_iteration1_kcat,kcat,A0A0H3V6E7,A0A0H3V6E7,MARRKTRPAAVCLLVAVLLAMFLSGCGTKTGDQPAPGTVDEVPDKQDEVTLPSEPQEGEQTDQDESSEDTQPDSRETEDDAAQESENAITIPEINIEKKPIPENEALAFVKAMKAGWNLGNTFDAVDVAGLADKLDYEKAWVGVRTTEAVAIAVKNAGFNTIRIPVSWHNHVSGDDYKIDTEWLDRVQEVVDYAVKQGLYIIINIHHDMGREYIYPSREYMEQSSRYVKSIWSQVAERFKDYDHHLIFESLNEPRLVGHKNEWWPDPKDNDIKEAVECLNELNQIFVDTVRSTGGNNKDRYLMVPGYAAAFAGATHPDFRLPSDTADNRMILSVHAYTPYNFALQEGGVRTFEINRSSSTNEIDYFMDQLYDNFISRGIPVVIGEFGARNKNDNLQDRVNFMAYYVASATARGMTCIVWDNHAFTGDGELFGLLDRRYYRWRYPEIVEAMIRYAQ,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO,CC(=O)O.O.O=CC(O)C(O)C(O)C(O)CO>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.848804701051804,,,s_2daf0357863c7b5995978f2b,test
catpreddb_kcat_kcat_e8880c6be70e50,catpred_iteration1_kcat,kcat,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@@H](N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,0.6020599913279624,,,s_0c3e58e911f51068e88986ab,test
catpreddb_kcat_kcat_e8a882020b0bc3,catpred_iteration1_kcat,kcat,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,-0.6020599913279624,,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_kcat_kcat_e8d1ea2a7af6b9,catpred_iteration1_kcat,kcat,P76641,P76641,MMSGEHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWENGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGAYGEQLLEWLNKHTFPTERRYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINMRMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFAPTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDVYHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFNLKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFYLATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVDKLFVMMTLGDDRSIYRTYVDGRLVYERN,Cn1c(=N)[nH]c2c(c1=O)NCN2.O,Cn1c(=N)[nH]c2c(c1=O)NCN2.O,Cn1c(=N)[nH]c2c(c1=O)NCN2.O>>Cn1c(O)nc2[nH]cnc2c1=O.N,public_strict_iteration1_fulltrue_msa,-1.0969100130080565,,,s_6be357ed52bee5995478ed69,test
catpreddb_kcat_kcat_e93f2cdb55d7fd,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)c1cccc(O)c1,public_strict_iteration1_fulltrue_msa,0.08278537031645,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_e94658501ad8ed,catpred_iteration1_kcat,kcat,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CC[C@H](N=C(O)[C@H](N)C1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC[C@H](N=C(O)[C@H](N)C1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,CC[C@H](N=C(O)[C@H](N)C1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>CC[C@H](N=C(O)[C@H](N)C1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,-0.1674910872937636,,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_kcat_kcat_e9857ae60f1a24,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCCC1CCC(=O)O1.O,CCCCCCCCC1CCC(=O)O1.O,CCCCCCCCC1CCC(=O)O1.O>>CCCCCCCCC(O)CCC(=O)O,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_e988fdd5625c9b,catpred_iteration1_kcat,kcat,Q8TGI8,Q8TGI8,MRNGLLKVAALAAASAVNGENLAYSPPFYPSPWANGQGDWAEAYQKAVQFVSQLTLAEKVNLTTGTGWEQDRCVGQVGSIPRLGFPGLCMQDSPLGVRDTDYNSAFPAGVNVAATWDRNLAYRRGVAMGEEHRGKGVDVQLGPVAGPLGRSPDAGRNWEGFAPDPVLTGNMMASTIQGIQDAGVIACAKHFILYEQEHFRQGAQDGYDISDSISANADDKTMHELYLWPFADAVRAGVGSVMCSYNQVNNSYACSNSYTMNKLLKSELGFQGFVMTDWGGHHSGVGSALAGLDMSMPGDIAFDSGTSFWGTNLTVAVLNGSIPEWRVDDMAVRIMSAYYKVGRDRYSVPINFDSWTLDTYGPEHYAVGQGQTKINEHVDVRGNHAEIIHEIGAASAVLLKNKGGLPLTGTERFVGVFGKDAGSNPWGVNGCSDRGCDNGTLAMGWGSGTANFPYLVTPEQAIQREVLSRNGTFTGITDNGALAEMAAAASQADTCLVFANADSGEGYITVDGNEGDRKNLTLWQGADQVIHNVSANCNNTVVVLHTVGPVLIDDWYDHPNVTAILWAGLPGQESGNSLVDVLYGRVNPGKTPFTWGRARDDYGAPLIVKPNNGKGAPQQDFTEGIFIDYRRFDKYNITPIYEFGFGLSYTTFEFSQLNVQPINAPPYTPASGFTKAAQSFGQPSNASDNLYPSDIERVPLYIYPWLNSTDLKASANDPDYGLPTEKYVPPNATNGDPQPIDPAGGAPGGNPSLYEPVARVTTIITNTGKVTGDEVPQLYVSLGGPDDAPKVLRGFDRITLAPGQQYLWTTTLTRRDISNWDPVTQNWVVTNYTKTIYVGNSSRNLPLQAPLKPYPGI,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.740362689494244,,,s_75ed30970c46263bfbfb163d,test
catpreddb_kcat_kcat_e98a571444db23,catpred_iteration1_kcat,kcat,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,CN[C@H](CC(=O)O)C(=O)O.O.O=O,CN[C@H](CC(=O)O)C(=O)O.O.O=O,CN[C@H](CC(=O)O)C(=O)O.O.O=O>>CN.O=C(O)CC(=O)C(=O)O.OO,public_strict_iteration1_fulltrue_msa,1.5809249756756194,,,s_74cdd8566f34570e4d30f31c,test
catpreddb_kcat_kcat_e9b519b41eb5fa,catpred_iteration1_kcat,kcat,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=O.[H+],C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=O.[H+],C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=O.[H+]>>C[C@]12CC[C@@]3(O)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O,public_strict_iteration1_fulltrue_msa,-0.0969100130080563,,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_kcat_kcat_e9c0599d0e1878,catpred_iteration1_kcat,kcat,B1VK31,B1VK31,MEVISNHTNGSVITINGHHHTNGKSDHRNGGVTAHDNGNKLSLGSYNSIKPGWFSEFSALWPGEAFSVKIEKLLFQGKSDYQDVMLFESATYGKVLTLDGAIQHTENGGFSYTEMIVHLPLGSIPTPKKVLIIGGGIGFTLFEVLRYSTIEKIDIVEIDDVVVDVSRKFFPYLAANFNDPRVTLVLDDGAAFVKAAQAGYYDAIIVDSSDPIGPAKDLFERPFFEAVAKALRPGGVVCTQAESIWLHMHIIKQIIANCRQVFKGSVNYAWTTVPTYPTGVIGYMLCSTEGPEVDFKNPINPIDKDSTHVKSKLGPLKFYNSDIHKAAFILPSFARSLIES,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O.NCCCCN,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O.NCCCCN,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O.NCCCCN>>CNCCCCN.Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.3279021420642825,,,s_e12b6c9fbe50761d5ade1759,test
catpreddb_kcat_kcat_e9c494ed33016c,catpred_iteration1_kcat,kcat,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_kcat_kcat_e9e5e694c5e98f,catpred_iteration1_kcat,kcat,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CCC(C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CO)C(O)=NCC(=O)O.O,CCC(C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CO)C(O)=NCC(=O)O.O,CCC(C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CO)C(O)=NCC(=O)O.O>>CC[C@H](C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N)CC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CO)C(O)=NCC(=O)O.CSCC[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)c1ccccc1N)C(=O)O,public_strict_iteration1_fulltrue_msa,1.8555191556678,,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_kcat_kcat_e9e82500281a24,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O.O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O.O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O.O>>Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.8388490907372552,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_ea492431c4c6b9,catpred_iteration1_kcat,kcat,V5M269,V5M269,MTGLGVMVVMVGFLAIASLQSESRPCDTPDLGFQCGTAISHFWGQYSPYFSVPSELDASIPDDCEVTFAQVLSRHGARAPTLKRAASYVDLIDRIHHGAISYGPGYEFLRTYDYTLGADELTRTGQQQMVNSGIKFYRRYRALARKSIPFVRTAGQDRVVHSAENFTQGFHSALLADRGSTVRPTLPYDMVVIPETAGANNTLHNDLCTAFEEGPYSTIGDDAQDTYLSTFAGPITARVNANLPGANLTDADTVALMDLCPFETVASSSSDPATADAGGGNGRPLSPFCRLFSESEWRAYDYLQSVGKWYGYGPGNPLGPTQGVGFVNELLARLAGVPVRDGTSTNRTLDGDPRTFPLGRPLYADFSHDNDMMGVLGALGAYDGVPPLDKTARRDPEELGGYAASWAVPFAARIYVEKMRCSGGGGGGGGGEGRQEKDEEMVRVLVNDRVMTLKGCGADERGMCTLERFIESMAFARGNGKWDLCFA,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O.O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O>>O=P(O)(O)O.O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,3.707570176097936,,,s_6a46017292e9692b12b41cc5,test
catpreddb_kcat_kcat_ea67df6bb74516,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,C=C(OP(=O)(O)O)C(=O)O.O,C=C(OP(=O)(O)O)C(=O)O.O,C=C(OP(=O)(O)O)C(=O)O.O>>CC(=O)C(=O)O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_ea6985882eea76,catpred_iteration1_kcat,kcat,J9WN12,J9WN12,MVLEIAVKAAVGAPDILGDCPFSQRALLTLEEKKIPYKSHLINLSDKPQWFLEVNPEGKVPVVKFDDKWVADSDVIVGILEEKYPEPSLATPPEFASVGSKIFPSFVKFLKSKDPNDGSEQALIEELKALDDHLKAHGPFIAGEKISAVDLSLAPKLYHLEVALAHFKNWTIPDKLTHVLNYIKLLFSRESFEKTKAAKEYIIAGWEPKVNA,N[C@@H](CS)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,N[C@@H](CS)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,N[C@@H](CS)C(=O)O.O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O>>O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,public_strict_iteration1_fulltrue_msa,4.248708735600918,,,s_8461037d4a80ae36c1a41430,test
catpreddb_kcat_kcat_ea9172cb0d0947,catpred_iteration1_kcat,kcat,O16025,O16025,MTWKNFGFEIFGEKYGQEELEKRIKDEHTPPPDSPVFGGLKLKLKKEKFKTLFTLGTTLKGFRRATHTVGTGGIGEITIVNDPKFPEHEFFTAGRTFPARLRHANLKYPDDAGADARSFSIKFADSDSDGPLDIVMNTGEANIFWNSPSLEDFVPVEEGDAAEEYVYKNPYYYYNLVEALRRAPDTFAHLYYYSQVTMPFKAKDGKVRYCRYRALPGDVDIKEEDESGRLTEEEQRKIWIFSRHENEKRPDDYLRKEYVERLQKGPVNYRLQIQIHEASPDDTATIFHAGILWDKETHPWFDLAKVSIKTPLSPDVLEKTAFNIANQPASLGLLEAKSPEDYNSIGELRVAVYTWVQHLRKLKIGSLVPAGQNAIYNVEVETGDREHAGTDATITIRITGAKGRTDYLKLDKWFHNDFEAGSKEQYTVQGFDVGDIQLIELHSDGGGYWSGDPDWFVNRVIIISSTQDRVYSFPCFRWVIKDMVLFPGEATLPFNEVPAILFTMFENWDSYDDYHILYRNWILGGTPNMADRWHEDRWFGYQFLNGANPVILTRCDALPSNFPVTNEHVNASLDRGKNLDEEIKDGHIYIVDFKVLVGAKSYGGPVLEDIGYKVPDHLKHDEADIRYCAAPLALFYVNKLGHLMPIAIQINQEPGPENPIWTPHEENEHDWMMAKFWLGVAESNFHQLNTHLLRTHLTTESFALSTWRNLASAHPVFKLLQPHIYGVLAIDTIGRKELIGSGGIVDQSLSLGGGGHVTFMEKCFKEVNLQDYHLPNALKKRGVDDPSKLPGFYYRDDGLALWEAIETFIGEIIAIFYKNDDDVKRDNEIQSWIYDVHKNGWRVNPGHQDHGVPASFESREQLKEVLTSLVFTFSCQHAAVNFSQKDHYGFTPNAPAVLRHPPPKKKGEATLQSILSTLPSKSQAAKAIATVYILTKFSEDERYLGNYSATAWEDKDALDAINRFQDKLEDISKKIKQRNENLEVPYIYLLPERIPNGTAI,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.O=O>>CCCCC/C=C/C/C=C/C=C/[C@@H](C/C=C/CCCC(=O)O)OO,public_strict_iteration1_fulltrue_msa,2.322219294733919,,,s_4d8493b2e5dd2cbf972437fe,test
catpreddb_kcat_kcat_ea9582cb181384,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_ea9bf65ecc1b51,catpred_iteration1_kcat,kcat,I3EBM6,I3EBM6,MPLVSMTEMLNKAKAEGYAVGQFNLNNLEFTQAILLAAEEEKSPVILGVSEGAGRYMGGFKTVVNMVKGLMEDYKITVPVAIHLDHGSSFEKCKEVIDAGFTSVMIDASHHPFEENVEVTKKVVEYAHARGVSVEAELGTVGGQEDDVIADGVIYADPKECEELVKRTGIDCLAPALGSVHGPYKGEPNLGFKEMEEIGRITGVPLVLHGGTGIPTKDIQRAISLGTAKINVNTENQIASAKKVREVLAENPNMYDPRKYLGPARDAIKETVIGKMREFGSSGKA,O=C(CO)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O,O=C(CO)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O,O=C(CO)COP(=O)(O)O.O=C[C@H](O)COP(=O)(O)O>>O=P(O)(O)OC[C@H]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.2518119729937995,,,s_dfd08d794d93cb583b2aee40,test
catpreddb_kcat_kcat_eacb4b268d7360,catpred_iteration1_kcat,kcat,Q8GAJ0,Q8GAJ0,MGRIGILGAGLAGLAAATKLAEAGENVTVFEARNRPGGRVWSETLDTPKGSYVIERGAEFVLDGYTSMRRLLSQFGLSLVDTGMSYYVREPGDTTGITCDDIIRTGREALELASGSGLQGTAEELLAKLPDEPELVDALRARIEISTAVSASEVTARSLQHIASFEPKPSWRVAGGNQRLPDAMAAALGSAVRYGETVRAVENISDGGVLVTTDTDTSVFDTVVVALPLAVIRDSQLNLPTTEARDAALKHVLQGHAAKLHLPLETQPATSAVMSVEGRYWTWTATDESGAVAPVLNAFMGSPSAITRANLKQRPAEWVAKARALRTDLAIPQDAAALTTVWSEDQLAGGAYAAHAPGVTAAGTALLEKPVGDVFWAGEYSEPEFVGLMEGAIRSGERAAGRVMQRLETKSGNSDSERSKA,CNCCCC(=O)O.O.O=O,CNCCCC(=O)O.O.O=O,CNCCCC(=O)O.O.O=O>>CN.O=CCCC(=O)O.OO,public_strict_iteration1_fulltrue_msa,3.089905111439398,,,s_e43b37a4fcd802b5650850fb,test
catpreddb_kcat_kcat_ead2e862cfd5c4,catpred_iteration1_kcat,kcat,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)OP(=O)(O)O,Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)OP(=O)(O)O,Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1.O=P(O)(O)OP(=O)(O)O>>O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.0203612826477078,,,s_819c9375ca8203a769c0057f,test
catpreddb_kcat_kcat_eb0b6bdfa8f6b1,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,-1.0145735259169983,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_eb24e2702e97bc,catpred_iteration1_kcat,kcat,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,CC(N)C(=O)N1CCCC1C(=O)O.O,CC(N)C(=O)N1CCCC1C(=O)O.O,CC(N)C(=O)N1CCCC1C(=O)O.O>>CC(N)C(=O)O.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,-0.1674910872937636,,,s_668310886d09794f507cf2a6,test
catpreddb_kcat_kcat_eb5d51ed1b3644,catpred_iteration1_kcat,kcat,P35236,P35236,MVQAHGGRSRAQPLTLSLGAAMTQPPPEKTPAKKHVRLQERRGSNVALMLDVRSLGAVEPICSVNTPREVTLHFLRTAGHPLTRWALQRQPPSPKQLEEEFLKIPSNFVSPEDLDIPGHASKDRYKTILPNPQSRVCLGRAQSQEDGDYINANYIRGYDGKEKVYIATQGPMPNTVSDFWEMVWQEEVSLIVMLTQLREGKEKCVHYWPTEEETYGPFQIRIQDMKECPEYTVRQLTIQYQEERRSVKHILFSAWPDHQTPESAGPLLRLVAEVEESPETAAHPGPIVVHCSAGIGRTGCFIATRIGCQQLKARGEVDILGIVCQLRLDRGGMIQTAEQYQFLHHTLALYAGQLPEEPSP,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,1.098643725817057,,,s_1f243b309cb7f1450c11c920,test
catpreddb_kcat_kcat_eb7f0ca6f1bbfd,catpred_iteration1_kcat,kcat,P06621,P06621,MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O>>CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)O)cc1.N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.3949767195545644,,,s_cca19f92ad8b55dce8e4e7cc,test
catpreddb_kcat_kcat_eb8987fb68aa59,catpred_iteration1_kcat,kcat,P30526,P30526,MSADGLAAFLAEANEFRTIPIVRKFVADVIEPLGVFANLREEAVFLLESKDDESPWARYSFIGVAPFLTLESETGETFSVKDENGNEQITAPTLKEAFQWVERTLAVKPLAETVPFTGGAVGFLGYDFISAIEKVPRHKNRDVPMKTAYFVFCESLFAFDQKKRELLVIHYIRLSGNETEEEKIEAYRAAERRMADLAAKAARPQAEQPLLPAESESGRTASFAKAVSNYDKKQFLRDVEAVKRYIAAGDVFQAVLSQRFCVPVQAGGFAIYRLLRYINPSPYMFYFQLDGVEIVGSSPEKLIQVHRRRVEIDPIAGTRRRGRSPEEDERLADELYHDPKERAEHYMLVDLARNDIGRVAKYGTVEVPVLLQIGKFSHVMHLISKVVGELDDNVHPIDALLAAFPAGTVSGAPKVRAMQILQELEPTARGLYAGAIAYIGFDGNIDSCIAIRTAVVKDGYAYVQAGAGIVADSVPELEWKETRNKASALMNAIEQAERLFAKGERAVC,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O.N,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O.N,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O.N>>CC(=O)C(=O)O.Nc1ccccc1C(=O)O.O,public_strict_iteration1_fulltrue_msa,2.583198773968623,,,s_962fe31f8f2adf3de722b3a8,test
catpreddb_kcat_kcat_ebaeaebe3da3c6,catpred_iteration1_kcat,kcat,A8IW39,A8IW39,MQLNVRSTASGARSSTRSRRMTAVVQAVAQRAGTIDVQRNENFGKLRAGYLFPEIARRRKAHQEKNPDAKIISLGIGDTTEPLPKYIADAMAKAAAGLATREGYSGYGAEQGQGALREAVASTFYGHAGRAADEIFISDGSKCDIARIQMMFGSKPTVAVQDPSYPVYVDTSVMMGMTGDHNGTGFDGIEYMVCNPDNHFFPDLSKAKRTDIIFFCSPNNPTGAAATRAQLTELVNFARKNGSILVYDAAYALYISNPDCPKTIYEIPGADEVAIETCSFSKYAGFTGVRLGWTVVPKALKYANGEPVHADWNRVMTTCFNGASNIVQAGGLACLQPEGLKEMNAMIKFYKENAQILKTTFTEMGFSVYGGDDAPYIWVGFPGKPSWDVFAEILERCNIVTTPGSGFGPAGEGFVRASAFGSRENILEAVRRFKEAYGKRN,N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O.O=C(O)C1=NC(C(=O)O)CCC1,public_strict_iteration1_fulltrue_msa,1.2787536009528289,,,s_2105e8461c2d2ae046198893,test
catpreddb_kcat_kcat_ebb403bcb27d71,catpred_iteration1_kcat,kcat,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CCCCCCCCCCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCCCCCCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCCCCCCCCCCCC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCCCCCCCCCCC[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1OP(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.380211241711606,,,s_37892504ee980fd328015aac,test
catpreddb_kcat_kcat_ebb88629c82874,catpred_iteration1_kcat,kcat,Q92876,Q92876,MKKLMVVLSLIAAAWAEEQNKLVHGGPCDKTSHPYQAALYTSGHLLCGGVLIHPLWVLTAAHCKKPNLQVFLGKHNLRQRESSQEQSSVVRAVIHPDYDAASHDQDIMLLRLARPAKLSELIQPLPLERDCSANTTSCHILGWGKTADGDFPDTIQCAYIHLVSREECEHAYPGQITQNMLCAGDEKYGKDSCQGDSGGPLVCGDHLRGLVSWGNIPCGSKEKPGVYTNVCRYTNWIQKTIQAK,O,O,O>>,public_strict_iteration1_fulltrue_msa,3.3613500243522663,,,s_95a6d9dafd4a6b80f49ae48d,test
catpreddb_kcat_kcat_ebd8e060692891,catpred_iteration1_kcat,kcat,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1.O>>NCCCC[C@H](N)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,1.3729120029701067,,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_kcat_kcat_ebe9a0918979bd,catpred_iteration1_kcat,kcat,P68693,P68693,MSRGALIVFEGLDKSGKTTQCMNIMESIPANTIKYLNFPQRSTVTGKMIDDYLTRKKTYNDHIVNLLFCANRWEFASFIQEQLEQGITLIVDRYAFSGVAYAAAKGASMTLSKSYESGLPKPDLVIFLESGSKEINRNVGEEIYEDVTFQQKVLQEYKKMIEEGDIHWQIISSEFEEDVKKELIKNIVIEAIHTVTGPVGQLWM,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=c1nc(O)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,-0.0655015487564322,,,s_e155d0ed211b79f02d68353e,test
catpreddb_kcat_kcat_ec011f7dc101ab,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O.O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>O=P(O)(O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.296665190261531,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_ec06d7ae4122b6,catpred_iteration1_kcat,kcat,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,O=P(O)(O)O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,O=P(O)(O)O.OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O>>O=P(O)(O)OC1OC(CO)C(O)C(O)C1O.OCC1OC(O)(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,1.8208579894397,,,s_d7aace9489d7fde5984a141e,test
catpreddb_kcat_kcat_ec28edeb2ef11e,catpred_iteration1_kcat,kcat,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N/C(=N\c1ccccc1)N[N+](=O)[O-].O,N/C(=N\c1ccccc1)N[N+](=O)[O-].O,N/C(=N\c1ccccc1)N[N+](=O)[O-].O>>NC(N)=O.Nc1cccc([N+](=O)[O-])c1,public_strict_iteration1_fulltrue_msa,0.7323937598229685,,,s_58345ae90df4d9185ef408b3,test
catpreddb_kcat_kcat_ec4cebc88836c4,catpred_iteration1_kcat,kcat,P47820,P47820,MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYNSSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTDQKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESPSFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNYDWWYFSNKIAKLNGYSDAGDSWRSSYESDDLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFIIQFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSASAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>CC(C)C[C@H](N=C(O)[C@@H](N)Cc1cnc[nH]1)C(=O)O.CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_3b2b69fed0c36508bc49125a,test
catpreddb_kcat_kcat_ec5639d6973e40,catpred_iteration1_kcat,kcat,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,-0.2757241303992109,,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_kcat_kcat_ec8895f4202ee5,catpred_iteration1_kcat,kcat,Q4CQE2,Q4CQE2,MTRRVAIGTDHPAFAIHENLILYVKEAGDEFVPVYCGPKTAESVDYPDFASRVAEMVARKEVEFGVLACGSGIGMSIAANKVPGVRAALCHDHYTAAMSRIHNDANIVCVGERTTGVEVIREIIITFLQTPFSGEERHVRRIEKIRAIEASHAGKKGVQ,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)O>>O=P(O)(O)OP(=O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.6720978579357175,0.1461280356782379,,s_9147ec93dd1fe32e101c7386,test
catpreddb_kcat_kcat_eca14e6ec96997,catpred_iteration1_kcat,kcat,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=C(O)Cc1ccccc1,public_strict_iteration1_fulltrue_msa,2.1398790864012365,,,s_b80ba408bb95c31175d655a1,test
catpreddb_kcat_kcat_ecafafb2435d48,catpred_iteration1_kcat,kcat,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,N[C@@H](Cc1ccc(O)cc1)C(O)=Nc1ccc2ccccc2c1.O,N[C@@H](Cc1ccc(O)cc1)C(O)=Nc1ccc2ccccc2c1.O,N[C@@H](Cc1ccc(O)cc1)C(O)=Nc1ccc2ccccc2c1.O>>N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ccc2ccccc2c1,public_strict_iteration1_fulltrue_msa,0.3222192947339193,,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_kcat_kcat_ecb3949f67d348,catpred_iteration1_kcat,kcat,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.6627578316815743,,,s_c336038d233655aec377f9fc,test
catpreddb_kcat_kcat_ece1cb5ff5d9dd,catpred_iteration1_kcat,kcat,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1Cc2cccc3cccc1c23,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1Cc2cccc3cccc1c23,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OC1Cc2cccc3cccc1c23>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1Cc2cccc3cccc1c23.[H+],public_strict_iteration1_fulltrue_msa,-0.5482135644757098,,,s_2cbfd735a03a2fa407841e28,test
catpreddb_kcat_kcat_ed0511b49c3d6d,catpred_iteration1_kcat,kcat,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C/C=C/c1ccc(O)cc1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=CCCc1ccc(O)cc1.[H+],public_strict_iteration1_fulltrue_msa,-0.5559552040819237,,,s_08cbf502c176a7783bac2948,test
catpreddb_kcat_kcat_ed78e3c1b5f5ef,catpred_iteration1_kcat,kcat,P51555,P51555,MSIQKVHAREILDSRGNPTIEVEITTGKGMFRSCVPSGASTGVHEAVELRDGDKKRYGGKGVLKAVENVNTIIGPALLGKNVLNQAELDEMMIKLDGTNNKGKLGANAILGCSMSICRAAAAEKGLPLYKYLAELTGHKEMTMPVPCFNVINGGAHAGNALAMQEFMICPTGATNFHEALRMAAETYQCLKVVIKAKYGQDATNVGDEGGFAPNVSGAREALDLLVEAIAKAGYTGKIEIAMDCAASEFYNEETKKYDLGKKIPADKKDPSLVKDVDGLIAEYVDYGKHYPIASIEDPFAEDDWAAWNKFTVEHGNFQIVGDDLLVTNPARVQMAMDKNACNSVLIKVNQIGTLTETFKTIKMAQEKGWGVMASHRSGETEDTFIADLVVGLNCKQIKTGAPCRSERLCKYNQLMRIEEELGNIPYAGKNWRNSTA,O=C(O)C(CO)OP(=O)(O)O,O=C(O)C(CO)OP(=O)(O)O,O=C(O)C(CO)OP(=O)(O)O>>C=C(OP(=O)(O)O)C(=O)O.O,public_strict_iteration1_fulltrue_msa,2.230448921378274,-1.2407430300610562,,s_6323b871888386cd68c9066f,test
catpreddb_kcat_kcat_ed8b1376652561,catpred_iteration1_kcat,kcat,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(C=CC=O)ccc1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC=O)ccc1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],COc1cc(C=CC=O)ccc1O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>COc1cc(C=CCO)ccc1O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.1139433523068367,,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_kcat_kcat_ed9ae93a75b5a8,catpred_iteration1_kcat,kcat,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,COc1ccc(CO)cc1OC.O=O,COc1ccc(CO)cc1OC.O=O,COc1ccc(CO)cc1OC.O=O>>COc1ccc(C=O)cc1OC.OO,public_strict_iteration1_fulltrue_msa,-2.275724130399211,,,s_f2bb212131b83045ca25164e,test
catpreddb_kcat_kcat_eda1c0c779c19d,catpred_iteration1_kcat,kcat,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.O,CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.O,CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.O>>CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC.CCCCCCCCC=CCCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,3.275311354541812,,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_kcat_kcat_edd2d75e3e0bc7,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)CCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.3010299956639813,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_ee0e72dc3f7094,catpred_iteration1_kcat,kcat,P29141,P29141,MKKGIIRFLLVSFVLFFALSTGITGVQAAPASSKTSADLEKAEVFGDIDMTTSKKTTVIVELKEKSLAEAKEAGESQSKSKLKTARTKAKNKAIKAVKNGKVNREYEQVFSGFSMKLPANEIPKLLAVKDVKAVYPNVTYKTDNMKDKDVTISEDAVSPQMDDSAPYIGANDAWDLGYTGKGIKVAIIDTGVEYNHPDLKKNFGQYKGYDFVDNDYDPKETPTGDPRGEATDHGTHVAGTVAANGTIKGVAPDATLLAYRVLGPGGSGTTENVIAGVERAVQDGADVMNLSLGNSLNNPDWATSTALDWAMSEGVVAVTSNGNSGPNGWTVGSPGTSREAISVGATQLPLNEYAVTFGSYSSAKVMGYNKEDDVKALNNKEVELVEAGIGEAKDFEGKDLTGKVAVVKRGSIAFVDKADNAKKAGAIGMVVYNNLSGEIEANVPGMSVPTIKLSLEDGEKLVSALKAGETKTTFKLTVSKALGEQVADFSSRGPVMDTWMIKPDISAPGVNIVSTIPTHDPDHPYGYGSKQGTSMASPHIAGAVAVIKQAKPKWSVEQIKAAIMNTAVTLKDSDGEVYPHNAQGAGSARIMNAIKADSLVSPGSYSYGTFLKENGNETKNETFTIENQSSIRKSYTLEYSFNGSGISTSGTSRVVIPAHQTGKATAKVKVNTKKTKAGTYEGTVIVREGGKTVAKVPTLLIVKEPDYPRVTSVSVSEGSVQGTYQIETYLPAGAEELAFLVYDSNLDFAGQAGIYKNQDKGYQYFDWDGTINGGTKLPAGEYYLLAYAANKGKSSQVLTEEPFTVE,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.O>>C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O.Nc1ccc([N+](=O)[O-])cc1,public_strict_iteration1_fulltrue_msa,2.742175043223677,,,s_5bb9c1a50a324691b1eb1323,test
catpreddb_kcat_kcat_ee1028ab9dda7a,catpred_iteration1_kcat,kcat,P9WJH7,P9WJH7,MTERTLVLIKPDGIERQLIGEIISRIERKGLTIAALQLRTVSAELASQHYAEHEGKPFFGSLLEFITSGPVVAAIVEGTRAIAAVRQLAGGTDPVQAAAPGTIRGDFALETQFNLVHGSDSAESAQREIALWFPGA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O[C@H]1O[C@@H](n2c(Br)nc3c(O)ncnc32)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O[C@H]1O[C@@H](n2c(Br)nc3c(O)ncnc32)[C@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O[C@H]1O[C@@H](n2c(Br)nc3c(O)ncnc32)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2c(Br)nc3c(O)ncnc32)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-0.7986028756795485,,,s_f487c80af8e075b5dc5f0fe6,test
catpreddb_kcat_kcat_ee4652fca76656,catpred_iteration1_kcat,kcat,A9WC34,A9WC34,MSAKTNPGNFFEDFRLGQTIVHATPRTITEGDVALYTSLYGSRFALTSSTPFAQSLGLERAPIDSLLVFHIVFGKTVPDISLNAIANLGYAGGRFGAVVYPGDTLSTTSKVIGLRQNKDGKTGVVYVHSVGVNQWDEVVLEYIRWVMVRKRDPNAPAPETVVPDLPDSVPVTDLTVPYTVSAANYNLAHAGSNYLWDDYEVGEKIDHVDGVTIEEAEHMQATRLYQNTARVHFNLHVEREGRFGRRIVYGGHIISLARSLSFNGLANALSIAAINSGRHTNPSFAGDTIYAWSEILAKMAIPGRTDIGALRVRTVATKDRPCHDFPYRDAEGNYDPAVVLDFDYTVLMPRRG,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O>>C/C(=C\C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,public_strict_iteration1_fulltrue_msa,3.230448921378274,,,s_1954fcd112ed8c307f21f758,test
catpreddb_kcat_kcat_ee4d31fa002b58,catpred_iteration1_kcat,kcat,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],public_strict_iteration1_fulltrue_msa,-1.1870866433571443,,,s_a6ad86cad357451370c6681c,test
catpreddb_kcat_kcat_ee806a66552e30,catpred_iteration1_kcat,kcat,A0A0V3XMN6,A0A0V3XMN6,MHKVKLAAITCELPARSYENDDPVFAAVPDLSESWWQFWGVNRRGYFDPRNGENEFSLVVRAAERLLRSSDTAPDSVDMLICSASSPIMTDAGDVLPDLRGRLYPRMANVLSKQLGLSRALPLDSQMECASFLLNLRLAASMIRQGKAEKVLVVCSEYISNLLDFTSRTSTLFADGCAVALLTRGDDDSCDLLASAEHSDATFYEVATGRWRLPENPTGEAKPRLYFSLFSDGQNKMASFVPTNVPIAMRRALEKAGLGSDDIDYFVFHQPAPFLVKAWAEGIGARPEQYQLTMGDTGVMISVSIPYTLMTGLREGKIRPGDRIVMAGAATGWGFAAQVWQLGEVLVC,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N.CCCCCCCC(=O)CC(=O)[O-],CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N.CCCCCCCC(=O)CC(=O)[O-],CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N.CCCCCCCC(=O)CC(=O)[O-]>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCc1cc(=O)c2ccccc2[nH]1.O.O=C=O,public_strict_iteration1_fulltrue_msa,-1.7825160557860935,,,s_fc23325f4d618852c65878ef,test
catpreddb_kcat_kcat_ee92f1e87470fd,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=Cc1ccc([N+](=O)[O-])cc1.[H]>>NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=[N+]([O-])c1ccc(CO)cc1,public_strict_iteration1_fulltrue_msa,3.585009279902461,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_ee973f20db5967,catpred_iteration1_kcat,kcat,Q97UB2,Q97UB2,MPAKLNSPSRYHGIYNAPHRAFLRSVGLTDEEIGKPLVAIATAWSEAGPCNFHTLALARVAKEGTKEAGLSPLAFPTMVVNDNIGMGSEGMRYSLVSRDLIADMVEAQFNAHAFDGLVGIGGCDKTTPGILMAMARLNVPSIYIYGGSAEPGYFMGKRLTIEDVHEAIGAYLAKRITENELYEIEKRAHPTLGTCSGLFTANTMGSMSEALGMALPGSASPTATSSRRVMYVKETGKALGSLIENGIKSREILTFEAFENAITTLMAMGGSTNAVLHLLAIAYEAGVKLTLDDFNRISKRTPYIASMKPGGDYVMADLDEVGGVPVVLKKLLDAGLLHGDVLTVTGKTMKQNLEQYKYPNVPHSHIVRDVKNPIKPRGGIVILKGSLAPEGAVIKVAATNVVKFEGKAKVYNSEDDAFKGVQSGEVSEGEVVIIRYEGPKGAPGMPEMLRVTAAIMGAGLNNVALVTDGRFSGATRGPMVGHVAPEAMVGGPIAIVEDGDTIVIDVESERLDLKLSEEEIKNRLKRWSPPSPRYKSGLLAKYASLVSQASMGAVTRPA,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>O.O=C(O)C(=O)C[C@H](O)[C@H](O)CO,public_strict_iteration1_fulltrue_msa,1.6857417386022635,0.6379549843354558,,s_b7f02f5e3954509c756d9b9c,test
catpreddb_kcat_kcat_eeed391be1686d,catpred_iteration1_kcat,kcat,A0A045IZ15,A0A045IZ15,MAGPLSGLRVVELAGIGPGPHAAMILGDLGADVVRIDRPSSVDGISRDAMLRNRRIVTADLKSDQGLELALKLIAKADVLIEGYRPGVTERLGLGPEECAKVNDRLIYARMTGWGQTGPRSQQAGHDINYISLNGILHAIGRGDERPVPPLNLVGDFGGGSMFLLVGILAALWERQSSGKGQVVDAAMVDGSSVLIQMMWAMRATGMWTDTRGANMLDGGAPYYDTYECADGRYVAVGAIEPQFYAAMLAGLGLDAAELPPQNDRARWPELRALLTEAFASHDRDHWGAVFANSDACVTPVLAFGEVHNEPHIIERNTFYEANGGWQPMPAPRFSRTASSQPRPPAATIDIEAVLTDWDG,CC(C)Cc1ccc([C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1,CC(C)Cc1ccc([C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1,CC(C)Cc1ccc([C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1>>CC(C)Cc1ccc([C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1,public_strict_iteration1_fulltrue_msa,2.463892988985908,-1.233750206952669,,s_b09ae7265d5add56137654b3,test
catpreddb_kcat_kcat_eef550ecd69bbf,catpred_iteration1_kcat,kcat,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)C=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)C=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC1=CC(=O)C=CC1=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc(O)ccc1O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.3010299956639812,,,s_da3e7330520fa81074d588f7,test
catpreddb_kcat_kcat_ef052948e39cc8,catpred_iteration1_kcat,kcat,P09147,P09147,MRVLVTGGSGYIGSHTCVQLLQNGHDVIILDNLCNSKRSVLPVIERLGGKHPTFVEGDIRNEALMTEILHDHAIDTVIHFAGLKAVGESVQKPLEYYDNNVNGTLRLISAMRAANVKNFIFSSSATVYGDQPKIPYVESFPTGTPQSPYGKSKLMVEQILTDLQKAQPDWSIALLRYFNPVGAHPSGDMGEDPQGIPNNLMPYIAQVAVGRRDSLAIFGNDYPTEDGTGVRDYIHVMDLADGHVVAMEKLANKPGVHIYNLGAGVGNSVLDVVNAFSKACGKPVNYHFAPRREGDLPAYWADASKADRELNWRVTRTLDEMAQDTWHWQSRHPQGYPD,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.8750612633917,-0.5934598195660449,,s_4369495df3d7617c874a103e,test
catpreddb_kcat_kcat_ef149f57fc7a3e,catpred_iteration1_kcat,kcat,A0A2R4D3F6,A0A2R4D3F6,MKIVKRALTFEDVLLRPGYSEVLPKEVKIHTKLTKNITLNMPLISAAMDTVTEHRAAIMMARLGGLGVIHKNMDIASQVREVKRVKKSESGVIIDPIFVSPKASVAEALEIMAEYRISGVPVVDEDKKLIGILTNRDLRFESDFSNLVENVMTKMPLITAPKGCTLDDAEKIFSTNKVEKLPIVDEQGRLEGLITIKDLKKRKEYPDANKDNFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDTVKAIKAKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIVSGVGVPQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMIGSLLAGTDESPGELFTYQGRQYKSYRGMGSLGAMQKGSSDRYFQQGTAQDKLVPEGIEGRVPYVGSIRSVVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHDVTITHEAPNYKVNHQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O.[H+],public_strict_iteration1_fulltrue_msa,0.3424226808222063,,,s_2eae60347821db364a717eae,test
catpreddb_kcat_kcat_ef52228aaf948b,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,NCCCC[C@H](N=C(O)CCC(=O)O)C(=O)O,NCCCC[C@H](N=C(O)CCC(=O)O)C(=O)O,NCCCC[C@H](N=C(O)CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,1.740362689494244,,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_ef53c7223a7dcc,catpred_iteration1_kcat,kcat,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O.O>>Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.869231719730976,,,s_140aab011c2ec3f979562c0c,test
catpreddb_kcat_kcat_ef5cc5b3c5edb3,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1c[nH]c2ccccc12,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1c[nH]c2ccccc12,Nc1ccccc1C(=O)C[C@H](N)C(=O)O.O=C(O)C(=O)Cc1c[nH]c2ccccc12>>,public_strict_iteration1_fulltrue_msa,-0.3098039199714864,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_ef746828c417de,catpred_iteration1_kcat,kcat,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12.O,Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12.O,Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12.O>>Cc1cc(=O)oc2cc(O)ccc12.O=S(=O)([O-])[O-],public_strict_iteration1_fulltrue_msa,-1.3665315444204136,,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_kcat_kcat_efb94fbd1b4e51,catpred_iteration1_kcat,kcat,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,0.568201724066995,,,s_731307d31ab453cb17afec38,test
catpreddb_kcat_kcat_efdd358a8f49d3,catpred_iteration1_kcat,kcat,B8M9J8,B8M9J8,MPGSLIDTRQQPLSVGIVGGGIIGVILAAGLVRRGIDVKVFEQARGFREIGAGMAFTANAVRCMEMLDPAIVWALRSSGAVPISIGDHQAEARDYLRWVDGYHESSKRLYQLDAGIRGFEACRRDQFLEALVKVLPEGIVECQKRLQKIHEKNETEKVTLEFADGTFAHVDCVIGADGIRSRVRQHLFGEDSPYSHPHYSHKFAFRGLITMENAISALGEDKARTLNMHVGPNAHLIHYPVANETMVNIAAFVSDPEEWPDKLSLVGPATREEAMGYFANWNPGLRAVLGFMPENIDRWAMFDTYDYPAPFFSRGKICLVGDAAHAAVPHHGAGACIGIEDALCATVLLAEVFVSTRGKSSIVRNRAIAAAFGSFNAVRRVRAQWFVDSSRRVCDLYQQPEWADPQKRIKAENCFEEIKDRSHKIWHFDYNSMLQEAIEKYRHNMGS,Cc1cc(O)c(C)c(O)c1C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],Cc1cc(O)c(C)c(O)c1C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],Cc1cc(O)c(C)c(O)c1C=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,0.4913616938342727,,,s_82823a9d8c4fe9d464bd58ee,test
catpreddb_kcat_kcat_efe02957e2306f,catpred_iteration1_kcat,kcat,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,2.2624510897304293,,,s_7f8ecdb53456f92943ac634b,test
catpreddb_kcat_kcat_efe2ed8466e172,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-1.6575773191777938,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_f0082ede687b83,catpred_iteration1_kcat,kcat,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,N=C([O-])CCCC(=O)O.O,N=C([O-])CCCC(=O)O.O,N=C([O-])CCCC(=O)O.O>>N.O=C(O)CCCC(=O)O,public_strict_iteration1_fulltrue_msa,0.9444826721501688,,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_kcat_kcat_f018ba80765183,catpred_iteration1_kcat,kcat,A0A4Y5R087,A0A4Y5R087,MAEVKLYGFWPSPFSHRIIWALKLKGVEYEYIEEDLSNKSESLLKYNPVYKKTPVLVHGDKPIAESLVILEYIEETWPENPLLPKDPYERAMARFWIQYGVDTVAALRAFYLGSGEELEKAAKELSECLKILEEQGLGDKKFFGGESMNLVDISYGALGYWLAAVEEAKGVTVLKPSTLPRLHAWAKNLDELPVVKENIPASDKMLAYVTAAMNRPAKN,CNC(NC#N)N(C)N=O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,CNC(NC#N)N(C)N=O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,CNC(NC#N)N(C)N=O.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>CNC(NC)NC#N.N[C@@H](CCC(O)=N[C@@H](CSN=O)C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-0.0947439512515487,,,s_b54e176c31b3fbcb3621d554,test
catpreddb_kcat_kcat_f0a7e64770e97d,catpred_iteration1_kcat,kcat,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(C(=O)O)cc1[O-].C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1ccc(C(=O)O)cc1[O-].C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,COc1ccc(C(=O)O)cc1[O-].C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(CSCCC(N)C(=O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-1.6989700043360187,,,s_bae6cc38bc66160b71e73176,test
catpreddb_kcat_kcat_f0bdbef55763ea,catpred_iteration1_kcat,kcat,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,COC(=O)/C=C/c1ccc(O)cc1.O,COC(=O)/C=C/c1ccc(O)cc1.O,COC(=O)/C=C/c1ccc(O)cc1.O>>CO.O=C(O)/C=C/c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.8633228601204559,,,s_9e06a86c4d466395e96365e4,test
catpreddb_kcat_kcat_f0f3f1d4f956cc,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.6803355134145632,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_f1033c55c26667,catpred_iteration1_kcat,kcat,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>OC1COC(O)C(O)C1O.OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-2.5686362358410126,,,s_577e1452403bbeb8c4453dd0,test
catpreddb_kcat_kcat_f1164f190c27ab,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccc(O)cc1.O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccc(O)cc1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)Cc1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,-0.8538719643217619,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_f1401bef9d1c54,catpred_iteration1_kcat,kcat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public_strict_iteration1_fulltrue_msa,-0.7375489102695706,,,s_aa46efec2bc6c16ffd1ea3c7,test
catpreddb_kcat_kcat_f144afd4785b17,catpred_iteration1_kcat,kcat,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2.[H],public_strict_iteration1_fulltrue_msa,2.133538908370217,,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_kcat_kcat_f1460cbaa72c28,catpred_iteration1_kcat,kcat,I6YDN6,I6YDN6,MTHSQRRDKLKAQIAASGLDAMLISDLINVRYLSGFSGSNGALLVFADERDAVLATDGRYRTQAASQAPDLEVAIERAVGRYLAGRAGEAGVGKLGFESHVVTVDGLDALAGALEGKNTELVRASGTVESLREVKDAGELALLRLACEAADAALTDLVARGGLRPGRTERQVSRELEALMLDHGADAVSFETIVAAGANSAIPHHRPTDAVLQVGDFVKIDFGALVAGYHSDMTRTFVLGKAADWQLEIYQLVAEAQQAGRQALLPGAELRGVDAAARQLIADAGYGEHFGHGLGHGVGLQIHEAPGIGVTSAGTLLAGSVVTVEPGVYLPGRGGVRIEDTLVVAGGTPKMPETAGQTPELLTRFPKELAIL,CSCC[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O.O,CSCC[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O.O,CSCC[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O.O>>CSCC[C@H](N)C(=O)O.C[C@H](N)C(O)=N[C@@H](C)C(=O)O,public_strict_iteration1_fulltrue_msa,0.6989700043360189,,,s_5ea59b234100d6ac10dc0230,test
catpreddb_kcat_kcat_f16604d2a2cf9b,catpred_iteration1_kcat,kcat,C9WCQ1,C9WCQ1,MAIQVGFRYLFLLVLVGLLVCINGARNIPFSIINYKDIGSYKIFDENDLNRRDFPNNFIFGTATSAFQIEGVTHRAFNIWDSFTHRYPEKSSDGRDADQATDSYHLYKVDVEMMKNMGVNGYRFSIAWSRILPKGRISGGINKEGIEYYKNLIDELLSNDIEPFVTIFHWDLPQTLEDMYDGLLDRNFVLHYRDFANLCFKEFGNKVKYWITFNQPYSLAFNAYGKGEQAPGRCSAWMNNNCTGGDSGTEPYIVAYHELLAHAEVVQLYRREYKKTQKGNIGITLIANWYYPLRNTVADTNAAQRAQDFKLGWFLDPIIFGDYPSSMKKLVGKRLPQFAPWESKLLKGSIDFLGLNYYFPLYAFDTSAPDPTKPSVLTDGRFGTTNVRDGVPIGINSTLFYYNATGFYDLLTYLRNKYNNPLTYITENGYADSSTISLNETLADVGRIDYHKTHLLALKKAIAEGSNVAGYFAWSLLDNYEFVQGFTVRFGLNYVNYSDPSDRKPKASALWFTDFLNNVV,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>C=CCC(S)=NOS(=O)(=O)O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.4533183400470375,,,s_296280e72b31a8f3711983f8,test
catpreddb_kcat_kcat_f18b8a073bf752,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CCCC(=O)C(=O)[O-].Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CCCC(=O)C(=O)[O-].Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CCCC(=O)C(=O)[O-].Nc1ccccc1C(=O)C[C@H](N)C(=O)O>>CCC[C@H](N)C(=O)O.O.O=C(O)c1cc(=O)c2ccccc2[nH]1,public_strict_iteration1_fulltrue_msa,-0.8860566476931633,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_f18de59714d8de,catpred_iteration1_kcat,kcat,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O.O>>CC(C)C[C@H](N)C(=O)O.C[C@H](N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O,public_strict_iteration1_fulltrue_msa,1.0969100130080565,,,s_2caefa44f3749bcdb7479c26,test
catpreddb_kcat_kcat_f19f6122fa89dd,catpred_iteration1_kcat,kcat,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O>>N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.1174754620451195,,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_kcat_kcat_f1a87c0ad2c887,catpred_iteration1_kcat,kcat,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCc1ccccc1.O.O=O,NCc1ccccc1.O.O=O,NCc1ccccc1.O.O=O>>N.O=Cc1ccccc1.OO,public_strict_iteration1_fulltrue_msa,0.1461280356782379,,,s_b85928245e46f813f3e4fa84,test
catpreddb_kcat_kcat_f1b549f5df20cf,catpred_iteration1_kcat,kcat,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CCO)cc(OC)c1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CCO)cc(OC)c1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,COc1cc(C=CCO)cc(OC)c1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O.O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,public_strict_iteration1_fulltrue_msa,0.6551384348113821,,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_kcat_kcat_f1e3b622aa72fa,catpred_iteration1_kcat,kcat,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O.O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21,O.O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21,O.O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21>>O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.037426497940624,,,s_5475b6e98819e24b4cfe0943,test
catpreddb_kcat_kcat_f202422b4d6cd0,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O,CCCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O,CCCCCC(N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,1.4313637641589874,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_f207cdb2b9fe44,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1CCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1CCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1CCc2ccccc21>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C1CCc2ccccc21.[H],public_strict_iteration1_fulltrue_msa,2.7558748556724915,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_f20e99b1f34ccb,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1CCCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1CCCc2ccccc21,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.OC1CCCc2ccccc21>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.OC1=N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(cc21)OCO3.[H],public_strict_iteration1_fulltrue_msa,3.322219294733919,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_f21864a6bfa2ff,catpred_iteration1_kcat,kcat,P9WQB5,P9WQB5,MSIEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRGRGFLEGRYDDLRPGLRMNIIANPGIPKANFELWSFAVSAINGCSHCLVAHEHTLRTVGVDREAIFEALKAAAIVSGVAQALATIEALSPS,CC(C)(C)OO,CC(C)(C)OO,CC(C)(C)OO>>CC(C)(C)O.O,public_strict_iteration1_fulltrue_msa,-1.2218487496163564,-0.6382721639824072,,s_a7bfba343bd56c4b51ed01f6,test
catpreddb_kcat_kcat_f22a8f734b637d,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)CC(=O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,CC(C)CC(=O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,CC(C)CC(=O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O>>CC(C)C[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.431363764158988,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_f23c618e9e03b3,catpred_iteration1_kcat,kcat,Q81IL5,Q81IL5,MKITAIHLYAIRLPLRNPFVISYGSYSDMPSIIVKMETDEGIIGYGEGVADDHVTGESWESTFHTLKHTLTPALIGQNPMNIEKIHDMMDNTIYGVPTAKAAIDIACFDIMGKKLNQPVYQLIGGRYHEEFPVTHVLSIADPENMAEEAASMIQKGYQSFKMKVGTNVKEDVKRIEAVRERVGNDIAIRVDVNQGWKNSANTLTALRSLGHLNIDWIEQPVIADDIDAMAHIRSKTDLPLMIDEGLKSSREMRQIIKLEAADKVNIKLMKCGGIYPAVKLAHQAEMAGIECQVGSMVESSVASSAGFHVAFSKKIITSVELTGPLKFTKDIGNLHYDVPFIRLNEKPGLGIEINEDTLQELTVFQDIVR,NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O,NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O,NCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,0.6334684555795865,0.5910646070264992,,s_7fd5eda72a12ee20aa6a187c,test
catpreddb_kcat_kcat_f23d6ea11a4704,catpred_iteration1_kcat,kcat,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CSCc1ccccc1)C(=O)O.O,N[C@@H](CSCc1ccccc1)C(=O)O.O,N[C@@H](CSCc1ccccc1)C(=O)O.O>>CC(=O)C(=O)O.N,public_strict_iteration1_fulltrue_msa,-0.2006594505464183,,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_kcat_kcat_f23e08c32adeb2,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.O>>CC(=O)O.CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,public_strict_iteration1_fulltrue_msa,-2.356547323513813,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_f2778fd40602ee,catpred_iteration1_kcat,kcat,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CSCCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CSCCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O,CSCCC(=O)C(=O)O.Nc1ccccc1C(=O)C[C@H](N)C(=O)O>>CSCC[C@H](N)C(=O)O.O.O=C(O)c1cc(=O)c2ccccc2[nH]1,public_strict_iteration1_fulltrue_msa,-0.3872161432802645,,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_kcat_kcat_f27faacb204786,catpred_iteration1_kcat,kcat,Q0KEY8,Q0KEY8,MSIRTVGIVGAGTMGNGIAQACAVVGLNVVMVDISDAAVQKGVATVASSLDRLIKKEKLTEADKASALARIKGSTSYDDLKATDIVIEAATENYDLKVKILKQIDGIVGENVIIASNTSSISITKLAAVTSRADRFIGMHFFNPVPVMALVELIRGLQTSDTTHAAVEALSKQLGKYPITVKNSPGFVVNRILCPMINEAFCVLGEGLASPEEIDEGMKLGCNHPIGPLALADMIGLDTMLAVMEVLYTEFADPKYRPAMLMREMVAAGYLGRKTGRGVYVYSK,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>C[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,4.658011396657113,,,s_17e7e804ab80040a3da23c92,test
catpreddb_kcat_kcat_f2824ef7eb376e,catpred_iteration1_kcat,kcat,Q8WN98,Q8WN98,MKDPDPSQVYRPDMDPEAAKDKGSFRNYTSGPLLDRVFRTYKLMHTWQTVDFVRKKHAQFGGFSYKRMTVLEAVDMLDGLVDESDPDVDFPNSFHAFQTAEGIRKAHPDKDWFHLVGLLHDLGKVLVLAGEPQWAVVGDTFPVGCRPQASVVFCDSTFQDNPDLQDPVYSTELGMYQPHCGLENALMSWGHDEYMYQMMKFNKFSLPGEAFYIIRFHSFYPWHTGGDYRQLCNEQDLAMLPWVQEFNKFDLYTKGSDMPDVDELRPYYQGLIDKYCPGVLCW,O=O.OC1C(O)C(O)C(O)C(O)C1O,O=O.OC1C(O)C(O)C(O)C(O)C1O,O=O.OC1C(O)C(O)C(O)C(O)C1O>>O.O=C(O)C1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,2.8195439355418688,,,s_aa46efec2bc6c16ffd1ea3c7,test
catpreddb_kcat_kcat_f29b48f67226fc,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,2.951337518795918,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_f2e01ef311e792,catpred_iteration1_kcat,kcat,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)cc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.6580113966571124,,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_kcat_kcat_f35fbed8c3da30,catpred_iteration1_kcat,kcat,D3PT81,D3PT81,MKIYYDQDADIGFIKDKTVAILGFGSQGHAHALNLRDSGIKVVVGLRPGSRNEEKARKAGLEVLPVGEAVRRADVVMILLPDETQGAVYKAEVEPNLKEGAALAFAHGFNIHFGQIKPRRDLDVWMVAPKGPGHLVRSEYEKGSGVPSLVAVYQDASGSAFPTALAYAKANGGTRAGTIATTFKDETETDLFGEQTVLCGGLTQLIAAGFETLVEAGYPPEMAYFECLHEVKLIVDLIYESGFAGMRYSISNTAEYGDYTRGPMVINREETKARMREVLRQIQQGEFAREWMLENVVGQPTLNANRNYWKDHPIEQVGPKLRAMMPFLKSRFTKEEVGS,CC(=O)[C@](C)(O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)[C@](C)(O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)[C@](C)(O)C(=O)O.N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(C)(O)[C@@H](O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.0374264979406236,,,s_f7e010e029dfb90cfddac758,test
catpreddb_kcat_kcat_f3b96a02b765a8,catpred_iteration1_kcat,kcat,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO.[H+]>>,public_strict_iteration1_fulltrue_msa,-1.494850021680094,,,s_27293a9716281920c2a47964,test
catpreddb_kcat_kcat_f3f1c56b24f3d2,catpred_iteration1_kcat,kcat,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1.O>>,public_strict_iteration1_fulltrue_msa,0.0,,,s_48d0e57876a633501632a01a,test
catpreddb_kcat_kcat_f3f590b9124fab,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1.O>>CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.O=C(O)Cc1cccc(O)c1,public_strict_iteration1_fulltrue_msa,0.1760912590556812,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_f40eca58f2c7e1,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N=C(O)Cn4cnnn4)[C@H]3SC2)s1.O,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N=C(O)Cn4cnnn4)[C@H]3SC2)s1.O,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N=C(O)Cn4cnnn4)[C@H]3SC2)s1.O>>,public_strict_iteration1_fulltrue_msa,2.678518379040114,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_f415a15c3798b7,catpred_iteration1_kcat,kcat,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.944482672150169,,,s_b3f55c0dc962540433caeabb,test
catpreddb_kcat_kcat_f4618062666105,catpred_iteration1_kcat,kcat,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,1.5899496013257075,,,s_51fb59894537d5f9b847a2af,test
catpreddb_kcat_kcat_f46325750be5a7,catpred_iteration1_kcat,kcat,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O>>O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.5314789170422551,,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_kcat_kcat_f4634f6fbaf3c2,catpred_iteration1_kcat,kcat,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,2.3404441148401185,,,s_6a41f9ca86cba24130c89784,test
catpreddb_kcat_kcat_f46fe87a907973,catpred_iteration1_kcat,kcat,K7NBW3,K7NBW3,MEKGDTHILVFPFPSQGHINPLLQLSKRLIAKGIKVSLVTTLHVSNHLQLQGAYSNSVKIEVISDGSEDRLETDTMRQTLDRFRQKMTKNLEDFLQKAMVSSNPPKFILYDSTMPWVLEVAKEFGLDRAPFYTQSCALNSINYHVLHGQLKLPPETPTISLPSMPLLRPSDLPAYDFDPASTDTIIDLLTSQYSNIQDANLLFCNTFDKLEGEIIQWMETLGRPVKTVGPTVPSAYLDKRVENDKHYGLSLFKPNEDVCLKWLDSKPSGSVLYVSYGSLVEMGEEQLKELALGIKETGKFFLWVVRDTEAEKLPPNFVESVAEKGLVVSWCSQLEVLAHPSVGCFFTHCGWNSTLEALCLGVPVVAFPQWADQVTNAKFLEDVWKVGKRVKRNEQRLASKEEVRSCIWEVMEGERASEFKSNSMEWKKWAKEAVDEGGSSDKNIEEFVAMLKQT,C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-3.3861581781239307,,,s_149cd835f6a77fca4008caab,test
catpreddb_kcat_kcat_f484c5df187c02,catpred_iteration1_kcat,kcat,Q5YXQ1,Q5YXQ1,MGIRRIGLVVPSSNVTVETEMPALLSRHPGAEFSFHSTRMRMHTVSPEGLAAMNAQRERCVLEIADAAPEVILYACLVAVMVGGPGEHHRVESAVAEQLATGGSQALVRSSAGALVEGLRALDAQRVALVTPYMRPLAEKVVAYLEAEGFTISDWRALEVADNTEVGCIPGEQVMAAARSLDLSEVDALVISCCVQMPSLPLVETAEREFGIPVLSAATAGAYSILRSLDLPVAVPGAGRLLRQDSAVTAS,O=C(O)/C=C\C(=O)O,O=C(O)/C=C\C(=O)O,O=C(O)/C=C\C(=O)O>>O=C(O)/C=C/C(=O)O,public_strict_iteration1_fulltrue_msa,0.4471580313422192,-2.337242168318426,,s_6d563782690ff83c7c8ce1da,test
catpreddb_kcat_kcat_f4894e54439dc6,catpred_iteration1_kcat,kcat,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O.O>>CC(=O)O.CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O,public_strict_iteration1_fulltrue_msa,1.0413926851582251,,,s_79bbfa936805739982cc4c70,test
catpreddb_kcat_kcat_f4dcd8a0117c36,catpred_iteration1_kcat,kcat,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.O=O,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.O=O,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1.O=O>>,public_strict_iteration1_fulltrue_msa,1.7558748556724917,,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_kcat_kcat_f5018264f812c8,catpred_iteration1_kcat,kcat,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.O=O>>O,public_strict_iteration1_fulltrue_msa,3.296665190261531,,,s_51f714c2449518f0f1cf2f16,test
catpreddb_kcat_kcat_f5117a0b1fb533,catpred_iteration1_kcat,kcat,P9WQB5,P9WQB5,MSIEKLKAALPEYAKDIKLNLSSITRSSVLDQEQLWGTLLASAAATRNPQVLADIGAEATDHLSAAARHAALGAAAIMGMNNVFYRGRGFLEGRYDDLRPGLRMNIIANPGIPKANFELWSFAVSAINGCSHCLVAHEHTLRTVGVDREAIFEALKAAAIVSGVAQALATIEALSPS,OO,OO,OO>>O,public_strict_iteration1_fulltrue_msa,-1.0705810742857071,,,s_a7bfba343bd56c4b51ed01f6,test
catpreddb_kcat_kcat_f5154ed7ed75c7,catpred_iteration1_kcat,kcat,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,public_strict_iteration1_fulltrue_msa,3.982271233039568,,,s_8f14f141e3e39a13912b6115,test
catpreddb_kcat_kcat_f51a61d673f1a4,catpred_iteration1_kcat,kcat,O41094,O41094,MFNDRVIVKKSPLGGYGVFARKSFEKGELVEECLCIVRHNDDWGTALEDYLFSRKNMSAMALGFGAIFNHSKDPNARHELTAGLKRMRIFTIKPIAIGEEITISYGDDYWLSRPRLTQN,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,-2.2218487496163566,-0.7619538968712046,,s_0f3d4161b68a6739a5190742,test
catpreddb_kcat_kcat_f545b563bbc2f6,catpred_iteration1_kcat,kcat,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(C)(O)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(O)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(C)(O)C(=O)C(=O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(C)(O)C(O)C(=O)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,0.5454308294653513,,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_kcat_kcat_f562070fd97a5c,catpred_iteration1_kcat,kcat,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.6901960800285136,,,s_3e77477216a36cf6ae48eafe,test
catpreddb_kcat_kcat_f56597fea59d18,catpred_iteration1_kcat,kcat,O64530,O64530,MASTLFSRTFLAASHRLITPSLPQKIFNPATFLSRSLHSQLGSASTAYKSTTWARRAMASTGVETKAGYSTSSVSTSEPVVSVDWLHANLREPDLKILDASWYMPDEQRNPIQEYQVAHIPRALFFDLDGISDRKTSLPHMLPTEEAFAAGCSALGIDNKDEVVVYDGKGIFSAARVWWMFRVFGHEKVWVLDGGLPRWRASGYDVESSASGDAILKASAASEAIEKIYQGQTVSPITFQTKFQPHLVWTLDQVKNNMEDPTYQHIDARSKARFDGTAPEPRKGIRSGHIPGSKCIPFPQMFDSCNTLLPAEELKKRFDQEDISLDKPIMASCGTGVTACILAMGLHRLGKTDVPIYDGSWTEWATQPDLPIESVESSS,O=C(O)C(=O)CS.[C-]#N,O=C(O)C(=O)CS.[C-]#N,O=C(O)C(=O)CS.[C-]#N>>CC(=O)C(=O)O.N#CS,public_strict_iteration1_fulltrue_msa,5.7737864449811935,,,s_e5519e2cd7d384381c51c0fd,test
catpreddb_kcat_kcat_f5873abda2e82c,catpred_iteration1_kcat,kcat,P21953,P21953,MAVVAAAAGWLLRLRAAGAEGHWRRLPGAGLARGFLHPAATVEDAAQRRQVAHFTFQPDPEPREYGQTQKMNLFQSVTSALDNSLAKDPTAVIFGEDVAFGGVFRCTVGLRDKYGKDRVFNTPLCEQGIVGFGIGIAVTGATAIAEIQFADYIFPAFDQIVNEAAKYRYRSGDLFNCGSLTIRSPWGCVGHGALYHSQSPEAFFAHCPGIKVVIPRSPFQAKGLLLSCIEDKNPCIFFEPKILYRAAAEEVPIEPYNIPLSQAEVIQEGSDVTLVAWGTQVHVIREVASMAKEKLGVSCEVIDLRTIIPWDVDTICKSVIKTGRLLISHEAPLTGGFASEISSTVQEECFLNLEAPISRVCGYDTPFPHIFEPFYIPDKWKCYDALRKMINY,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)C(=O)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)C(=O)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS.CC(C)C(=O)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C=O.[H],public_strict_iteration1_fulltrue_msa,4.074816440645175,,,s_f5cb3b8e0e3b02ef901952cb,test
catpreddb_kcat_kcat_f58b4422d47220,catpred_iteration1_kcat,kcat,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O.[H+],public_strict_iteration1_fulltrue_msa,3.051152522447381,,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_kcat_kcat_f5aa1c6dcadf6c,catpred_iteration1_kcat,kcat,Q88IJ7,Q88IJ7,MSDRYAVIGRPINHTKSPLIHGLFAQASNQQLEYGAIEGSLDDFEAQVLQFRSEGGKGMNITAPFKLRAFELADRRSERAQLARAANALKFEDGRIVAENFDGIGLLRDIEENLGEPLRNRRVLLLGAGGAVRGALLPFLQAGPSELVIANRDMAKALALRNELDHSRLRISRYEALEGQSFDIVVNATSASLTADLPPLPADVLGEAALAYELAYGKGLTPFLRLAREQGQARLADGVGMLVEQAAEAFAWWRGVRPDTRAVINQLTIPLE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O.[H+],public_strict_iteration1_fulltrue_msa,-0.7958800173440752,,,s_0c0d843b21f182e40510ca14,test
catpreddb_kcat_kcat_f5c1a5a3b27f38,catpred_iteration1_kcat,kcat,A0A7I8I5R5,A0A7I8I5R5,MYDLIVIGAGSGGVRASRISAGHGAKVALIEPSLSHGPPNFSAVGGTCVNVGCVPKKLMVYGSHMSHDLHYAKSYGWHTPDHVAHDWGTLMANKDKEISRLNGVYINMLKNSGVDLIQGFGSFVDAHTVAIKADQAENPAGRTITGDKVLIATGSWPFVPDIPGKEYCVTSNEAFYLRECPKRIVIVGGGYIAVEFACIFKGYGADVTLMYRGEMFLRGFDDDIRRHLCTEMQELGVHVQLQTNPAKVEKKEDGTYEVTTEKGEVVAADLVMYATGRNPNVKALGLEAVGVELLPKNGAIKVDAYSRTTVDNIYAVGDVTDRINLTPVALHEGHCLADTLFGGKDRKPCHDLVAAAVFSQPPIGTVGLTTERAIQRHERVAVYKSTFRPMLHTMTGAATKALMKILVDVDTDKVLGVHMCGPDAAEIIQGIAIALKMGATKADFDATIGIHPSSAEEFVTMRSPAYYYVKGEKVEKLP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.501059262217752,,,s_0c8b8c2eb2d3f1d4266374b8,test
catpreddb_kcat_kcat_f5caa400a9e2a0,catpred_iteration1_kcat,kcat,O29610,O29610,MQYEKVKPPENGEKIRYENGKLIVPDNPIIPYFEGDGIGKDVVPAAIRVLDAAADKIGKEVVWFQVYAGEDAYKLYGNYLPDDTLNAIKEFRVALKGPLTTPVGGGYRSLNVTIRQVLDLYANVRPVYYLKGVPSPIKHPEKVNFVIFRENTEDVYAGIEWPRGSEEALKLIRFLKNEFGVTIREDSGIGIKPISEFATKRLVRMAIRYAIENNRKSVTLVHKGNIMKYTEGAFRDWGYEVAKQEFGEYCITEDELWDKYGGKQPEGKIVVKDRIADNMFQQILTRTDEYDVIALPNLNGDYLSDAAAALIGGLGIAPGSNIGDGIGVFEPVHGSAPKYAGQNKVNPTAEILTGALMFEYIGWKDASEMIKKAVEMTISSGIVTYDIHRHMGGTKVGTREFAEAVVENLQSL,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1.O=C(O)CC(C(=O)O)C(O)C(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)C(=O)O.O=C=O.[H],public_strict_iteration1_fulltrue_msa,2.405858399317637,,,s_5d09c2f232622d7ffb91a1fc,test
catpreddb_kcat_kcat_f6250ee94a41fc,catpred_iteration1_kcat,kcat,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.O=O>>,public_strict_iteration1_fulltrue_msa,-0.6635402661514705,,,s_3f380f88a54b8c0bed83425a,test
catpreddb_kcat_kcat_f630c36a5266c1,catpred_iteration1_kcat,kcat,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O>>N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,2.9138138523837167,,,s_db874159a334ddcf8fd4960d,test
catpreddb_kcat_kcat_f636970a913f88,catpred_iteration1_kcat,kcat,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)CCC(=O)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N[C@@H](CCC(=O)O)C(=O)O.O=C(O)C(=O)Cc1c[nH]c2ccccc12,public_strict_iteration1_fulltrue_msa,-0.4436974992327127,,,s_23a07e04da444562badc1284,test
catpreddb_kcat_kcat_f65464afc3e6cf,catpred_iteration1_kcat,kcat,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,O.O=C1CCCCO1,O.O=C1CCCCO1,O.O=C1CCCCO1>>O=C(O)CCCCO,public_strict_iteration1_fulltrue_msa,-0.3665315444204134,,,s_0b1a538f1d9786e099454553,test
catpreddb_kcat_kcat_f690c86f82eeef,catpred_iteration1_kcat,kcat,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,CCCCBr.O,CCCCBr.O,CCCCBr.O>>CCCCO.[Br-],public_strict_iteration1_fulltrue_msa,1.1139433523068367,,,s_e220e6dd4311615191e3744b,test
catpreddb_kcat_kcat_f6cabcb9dcb8c7,catpred_iteration1_kcat,kcat,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C[C@H](O)CO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C[C@H](O)CO,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C[C@H](O)CO>>N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)[C@H](O)CO.[H+],public_strict_iteration1_fulltrue_msa,1.414973347970818,,,s_132f66001f653d7ed2ddbe90,test
catpreddb_kcat_kcat_f6d0d8ee1a6a4f,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,1.6414741105040995,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_f6f3e1bcfd6480,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC(O)(CC(=O)O)CC(=O)O,public_strict_iteration1_fulltrue_msa,-1.1023729087095586,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_f7117cec012166,catpred_iteration1_kcat,kcat,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,O,O,O>>CC(=O)C(=O)O.N.O=C(O)CCSS,public_strict_iteration1_fulltrue_msa,1.462397997898956,,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_kcat_kcat_f752c09e80df75,catpred_iteration1_kcat,kcat,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,C[C@@H](N)C(=O)O.O.O=O,C[C@@H](N)C(=O)O.O.O=O,C[C@@H](N)C(=O)O.O.O=O>>,public_strict_iteration1_fulltrue_msa,0.2095150145426309,,,s_74cdd8566f34570e4d30f31c,test
catpreddb_kcat_kcat_f75b0d7775ebd8,catpred_iteration1_kcat,kcat,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1.O>>CCCCCCCCCCCCCCCC(=O)O.O=[N+]([O-])c1ccc(O)cc1,public_strict_iteration1_fulltrue_msa,0.5797835966168101,,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_kcat_kcat_f76ca72fba963d,catpred_iteration1_kcat,kcat,A0A1J1EVC3,A0A1J1EVC3,MTVEPFRNEPIETFQTEEARRTMREALRRVREEFGRHYPLYIGGEWVDTKERMVSLNPSAPSEVVGTTAKAGKAEAEAALEAAWKAFKTWKDWPQEDRSRLLLKAAALMRRRKRELEATLVYEVGKNWVEASADVAEAIDFMEYYARAALRYRYPAVEVVPYPGEDNESFYVPLGAGVVIAPWNFPVAIFTGMIMGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVGEEVGAYLVEHPRTRFINFTGSLEVGLKIYEAAGRLAPGQTWFKRAYVETGGKDAIIVDETADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEPVLERVLKRAERLSVGPAEENPDLGPVVSAEQERKVLSYIEIGKNEGQLVLGGKRLEGEGYFIAPTVFTEVPPKARIAQEEIFGPVLSVIRVKDFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALVGVQPFGGFKLSGTNAKTGALDYLRLFLEMKAVAERF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1CCC=N1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1CCC=N1.[H+],N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C1CCC=N1.[H+]>>N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.2041199826559248,,,s_211c7d645abd0f9e1bd6a568,test
catpreddb_kcat_kcat_f781b03974c18d,catpred_iteration1_kcat,kcat,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,CCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCC(=O)O.[H+],CCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCC(=O)O.[H+],CCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCC(=O)O.[H+]>>CCC(NCC(=O)O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,1.3654879848908996,,,s_60739e58ddb317a5c595f6fd,test
catpreddb_kcat_kcat_f7afeed172b639,catpred_iteration1_kcat,kcat,P12851,P12851,MSVQATREDKFSFGLWTVGWQARDAFGDATRTALDPVEAVHKLAEIGAYGITFHDDDLVPFGSDAQTRDGIIAGFKKALDETGLIVPMVTTNLFTHPVFKDGGFTSNDRSVRRYAIRKVLRQMDLGAELGAKTLVLWGGREGAEYDSAKDVSAALDRYREALNLLAQYSEDRGYGLRFAIEPKPNEPRGDILLPTAGHAIAFVQELERPELFGINPETGHEQMSNLNFTQGIAQALWHKKLFHIDLNGQHGPKFDQDLVFGHGDLLNAFSLVDLLENGPDGAPAYDGPRHFDYKPSRTEDYDGVWESAKANIRMYLLLKERAKAFRADPEVQEALAASKVAELKTPTLNPGEGYAELLADRSAFEDYDADAVGAKGFGFVKLNQLAIEHLLGAR,OC[C@@H]1OC(O)[C@@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@@H](O)[C@H]1O>>OCC1(O)OC[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,-1.5985994592184558,3.1179338350396417,,s_5edc77e1f8c52732ee9e8352,test
catpreddb_kcat_kcat_f7f77d170fa466,catpred_iteration1_kcat,kcat,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,CCC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,CCC(C)C(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>CC[C@H](C)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.556302500767288,,,s_ecaea209f7cdcffa0838698c,test
catpreddb_kcat_kcat_f862bb296b31a7,catpred_iteration1_kcat,kcat,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,CC(O)C(=O)c1ccccc1,CC(O)C(=O)c1ccccc1,CC(O)C(=O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,0.5314789170422551,-0.5228787452803376,,s_1f8beb386de84deb2f180511,test
catpreddb_kcat_kcat_f871c10bd8186d,catpred_iteration1_kcat,kcat,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O>>O=P(O)(O)OP(=O)(O)O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.7558748556724915,,,s_819c9375ca8203a769c0057f,test
catpreddb_kcat_kcat_f8ae15f4d829b3,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O.O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>O=[N+]([O-])c1ccc(O)cc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,0.8992731873176038,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_f8b9946a689862,catpred_iteration1_kcat,kcat,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCCCCCCCCCCCC(=O)NCCO.O,CCCCCCCCCCCCCCCC(=O)NCCO.O,CCCCCCCCCCCCCCCC(=O)NCCO.O>>CCCCCCCCCCCCCCCC(=O)O.NCCO,public_strict_iteration1_fulltrue_msa,-0.6575773191777937,,,s_d02e45ef02098b997a7f78aa,test
catpreddb_kcat_kcat_f8c373eb88db2c,catpred_iteration1_kcat,kcat,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O>>CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=CC(=O)O,public_strict_iteration1_fulltrue_msa,0.3979400086720376,-1.6989700043360187,,s_7339ebca9bb234fe98b49268,test
catpreddb_kcat_kcat_f8d66b6b26cd47,catpred_iteration1_kcat,kcat,Q8DK72,Q8DK72,MIIVHLCGGLGNQMFQYAAGLAAAHRIGSEVKFDTHWFDATCLHQGLELRRVFGLELPEPSSKDLRKVLGACVHPAVRRLLAGHFLHGLRPKSLVIQPHFHYWTGFEHLPDNVYLEGYWQSERYFSNIADIIRQQFRFVEPLDPHNAALMDEMQSGVSVSLHIRRGDYFNNPQMRRVHGVDLSEYYPAAVATMIEKTNAERFYVFSDDPQWVLEHLKLPVSYTVVDHNRGAASYRDMQLMSACRHHIIANSTFSWWGAWLNPRPDKVVIAPRHWFNVDVFDTRDLYCPGWIVL,COC(=O)c1ccccc1N=C(O)CCC(O)=NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1N=C(C)O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,COC(=O)c1ccccc1N=C(O)CCC(O)=NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1N=C(C)O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,COC(=O)c1ccccc1N=C(O)CCC(O)=NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1N=C(C)O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O>>COC(=O)c1ccccc1N=C(O)CCC(O)=NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1N=C(C)O.N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,public_strict_iteration1_fulltrue_msa,-0.4775557664936801,,,s_746ed7a5cb689ce9f0683f3c,test
catpreddb_kcat_kcat_f8de671c9a1f23,catpred_iteration1_kcat,kcat,Q9SRQ2,Q9SRQ2,MDHQVSLPQSTTTGLSFKVHRQQRELVTPAKPTPRELKPLSDIDDQQGLRFQIPVIFFYRPNLSSDLDPVQVIKKALADALVYYYPFAGRLRELSNRKLAVDCTGEGVLFIEAEADVALAELEEADALLPPFPFLEELLFDVEGSSDVLNTPLLLVQVTRLKCCGFIFALRFNHTMTDGAGLSLFLKSLCELACGLHAPSVPPVWNRHLLTVSASEARVTHTHREYDDQVGIDVVATGHPLVSRSFFFRAEEISAIRKLLPPDLHNTSFEALSSFLWRCRTIALNPDPNTEMRLTCIINSRSKLRNPPLEPGYYGNVFVIPAAIATARDLIEKPLEFALRLIQETKSSVTEDYVRSVTALMATRGRPMFVASGNYIISDLRHFDLGKIDFGPWGKPVYGGTAKAGIALFPGVSFYVPFKNKKGETGTVVAISLPVRAMETFVAELNGVLNVSKG,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC/C=C\CCO,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC/C=C\CCO,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CC/C=C\CCO>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CC/C=C\CCOC(C)=O,public_strict_iteration1_fulltrue_msa,1.0530784434834195,,,s_923e9138be0b9931b031104a,test
catpreddb_kcat_kcat_f91eae0fc0d118,catpred_iteration1_kcat,kcat,Q9S5E2,Q9S5E2,MTTKQICFADRCFNFAFGEHVLESVESYIPRDEFDQYIMISDSGVPDSIVHYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVAVGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGKNLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTEDDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGHAIELAEQGGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGALQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQTLLTPVRKTLIKEVIREGL,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O>>O=C1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-1.136677139879544,-0.3617690979133779,,s_f75b223c631ef9d7f0451dd3,test
catpreddb_kcat_kcat_f924d288706e33,catpred_iteration1_kcat,kcat,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.COc1cc(/C=C/C(=O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.55339751012388,,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_kcat_kcat_f9356b0e2ea9ad,catpred_iteration1_kcat,kcat,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc(O)c2ccccc2c1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc(O)c2ccccc2c1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=C(O)c1cc(O)c2ccccc2c1O>>COc1cc(C(=O)O)c(O)c2ccccc12.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-3.876148359032914,,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_kcat_kcat_f93cbe8c973087,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)(CO)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.5774917998372253,,,s_88fe1e31eecc11f95217482e,test
catpreddb_kcat_kcat_f97547b7d218ec,catpred_iteration1_kcat,kcat,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O.O>>C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1,public_strict_iteration1_fulltrue_msa,0.8864907251724818,,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_kcat_kcat_f9a22cbd3473bc,catpred_iteration1_kcat,kcat,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O>>OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,-0.00436480540245,,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_kcat_kcat_f9a8ff3277f925,catpred_iteration1_kcat,kcat,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,COc1cc(C(=O)O)ccc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(C(=O)O)ccc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,COc1cc(C(=O)O)ccc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,-0.0457574905606751,,,s_a6bfd646457ffec3f91681c4,test
catpreddb_kcat_kcat_f9b3085437de5e,catpred_iteration1_kcat,kcat,P00942,P00942,MARTFFVGGNFKLNGSKQSIKEIVERLNTASIPENVEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEVKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEFVDIINSRN,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O>>O=C[C@H](O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,6.0,0.3172943316073082,,s_a2bb45b1deb9d8a8c56aa33e,test
catpreddb_kcat_kcat_fa2481e98bf446,catpred_iteration1_kcat,kcat,A0A832SVS8,A0A832SVS8,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O.O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,O.O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,O.O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O>>O=P(O)(O)O.O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,0.8987251815894935,,,s_2bf532d075628659b9957308,test
catpreddb_kcat_kcat_fa376f0c543600,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)CC(O)C(=O)O,public_strict_iteration1_fulltrue_msa,2.9822712330395684,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_fa49a2adb4463f,catpred_iteration1_kcat,kcat,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)/C=C/c1ccc(O)c(O)c1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,0.4235735197327355,,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_kcat_kcat_faaf05e3403f7b,catpred_iteration1_kcat,kcat,Q9WXX1,Q9WXX1,MNLYVGLDVGTTGVKGILVNEKGEILATANERLTMFTPQPAWAEQDPLSWWEAVKKILKNLSERSKEMGGKIRAISTSGQMHSLVAIDDNGKVLRNAILWCDQRTYKECEEATQILGGEENVLKLVGNPILPGFTLPKILWIRKHEPEIYGKISKIMLPKDFINYMLTGEVKTEHSDASGTVMYSVSKMEWNKDVLKELNIPESVLPEIIPSNGVVGNVKPEVASDLGLSEDTLVIGGGADNACAALGIAVVEPGDVMVSLGTSGTVLAPTKGNQPDPKGRVHFFAHTVPETRYHMGVMLSATYSLEWFKEKFLSEDYETINEEVDKIPAGSNGIIFLPYLNGERTPHRDPFARGVFFGISSYNTKWDMVRAIFEGVAFGIKDSFDILRELKVVLNSVRITGGGSKSRVWNKMLADMTGLRIQKPAVDEGASYGAAILAVSGSMGENPAKISKEWFRVKSYTDPAVENTETYEKLHEKFKKLYTSLKEMFRS,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.OCC1(O)OC[C@@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,1.8920946026904804,,,s_f894650019f7c2e7a27e334b,test
catpreddb_kcat_kcat_fabf2368ac6831,catpred_iteration1_kcat,kcat,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,O=Cc1ccccc1,O=Cc1ccccc1,O=Cc1ccccc1>>O=C(c1ccccc1)[C@H](O)c1ccccc1,public_strict_iteration1_fulltrue_msa,5.477121254719663,0.6712113404111031,,s_1f8beb386de84deb2f180511,test
catpreddb_kcat_kcat_fac35f1162210a,catpred_iteration1_kcat,kcat,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cc(O)c2ccccc2c1O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cc(O)c2ccccc2c1O.O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cc(O)c2ccccc2c1O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.O=C(O)c1cc(O)c2ccccc2c1O,public_strict_iteration1_fulltrue_msa,-0.8860566476931633,,,s_b71864dc379a9cd1a31c4976,test
catpreddb_kcat_kcat_fae5c3d75b666a,catpred_iteration1_kcat,kcat,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O,CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS.CCCCCCCC(=O)O,public_strict_iteration1_fulltrue_msa,-2.3279021420642825,,,s_3815d87fffe41700f4ce4a06,test
catpreddb_kcat_kcat_fb1abaa21d678e,catpred_iteration1_kcat,kcat,Q9L555,Q9L555,MKVLFTTFAAKSHMHAQVPLAWALQTAGHEVRIASQPDLAEDITRTGLTAVCVGEPLLLEEQMQRVNEGLGDDAEIMESQAEAGMDMTETRPEMLTWDHVLGVFTSMTAMAFQNSCPERMIDDVVAFAREWQPDLIVWDTLSFAGPVAAQVTGAAHARLLFGLDLLGRMRETFLDLQEERLPEQRDDPLREWLTWTLGRYGAEFEEEVAVGQWTVDPVPPSMRFPVKQPFVPLRYIPYNGQAVIPDWLHEPPKKRRVCLTLGVAHREVLDGDRASIGELVEALAELDVEVVATLNEKQLAGMELPDNVRAVDFVPLNALLPTCSAVIHHGGSGTFQTALAHGVPQLIVPDMVWDTIHKAKQLERFGAGLYLHDVDNYTAQDLRDHLLRLLEEPSFAENCARIRREMVGTPSPNDIVPLLEKLTAEHRRDRGARGTVRGEQ,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O>>CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,public_strict_iteration1_fulltrue_msa,-1.0457574905606752,,,s_97ef0c32eac98fa1480a9b5a,test
catpreddb_kcat_kcat_fb5a8222e9fbbd,catpred_iteration1_kcat,kcat,D6XZ22,D6XZ22,MHEIGEHLTTNTGWDIIKNRYEAAQAITEGSNFMIGNGFMGYRGTFAEDGKDAYAACIVTDTWDKADGKWEELSTVPNALLTLLHVDGEPFIMSEEAASFERTLDLSQGVTSRKVSQRMKNGATITIHEEKFASYRKKHAVLMKYTVESDQDTDAVLDTGIDYDVWSINGDHLQGHHYFSHPTGDGVTAKTVSYEDTVTVVETCSLDADASEEDYQNPDGSGRTFSLSLEAGKPVTLEKAMIIYSSNDVDNPQDEALLEAKHMQSYEEEKAANRLEWDNLWSHYDVTIQNNIIDQVALRFNIYHAIIATPVHKSLPIGARGLSCQAYQGAAFWDQEIYNMPMYLYSNPEIARNILKYRHRTLDGARRKAKRLGYEGAYYAWISGKTGDELCPDFFFKDVLSGRDIRNHFNDWQIHISPDIAYAVKKYHQVTGDDAFIRDYGAEMIFEIARFLASHAVYKPMRGRYEFMRVQGPDEYHENVDNNAFTNHQAMFTLQAADELLQTLDEKTLSAVKEKIGLSDDEISLWRDMLANTYVPKPDKHGIIEQFDGYYDLETIIPAKKVTERLIKEDEYYGYPNGVTVRTQCIKQADVIQLFVLHPHLYDRKTVELNYEFYEPRTLHFSSLSPSSYAIVAAQIDKVEEAYRNFRKSVMIDLLNTNEAVSGGTFIGGIHTAANGASWQMVVNGFGGLSVHGDDIHLSPRLPDAWDGYTFKAIVKGQTLEVDVTKEQITITNKSEDRKPLTLHIFGEKSVLDSERITKSR,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OCC(O)CO,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OCC(O)CO,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.OCC(O)CO>>O=P(O)(O)O.OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.255272505103306,,,s_a552d0eac025e054561f5816,test
catpreddb_kcat_kcat_fb6cdfd582a66f,catpred_iteration1_kcat,kcat,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,-0.6382721639824072,,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_kcat_kcat_fb700f712cd76d,catpred_iteration1_kcat,kcat,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,O.O=C(N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1)c1ccccc1,O.O=C(N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1)c1ccccc1,O.O=C(N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,-1.154901959985743,,,s_569e57fb53fdf691b150d83f,test
catpreddb_kcat_kcat_fb949ae891bde4,catpred_iteration1_kcat,kcat,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,-0.3819519032879073,,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_kcat_kcat_fb9d45aa539b8e,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C.O,COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C.O,COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C.O>>,public_strict_iteration1_fulltrue_msa,1.6334684555795866,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_fbb684f788a68d,catpred_iteration1_kcat,kcat,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1.OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.Oc1ccc(Nc2cc(Cl)c(O)c(Cl)c2)cc1,public_strict_iteration1_fulltrue_msa,0.0969100130080564,,,s_d45caf713d065ae4220c2800,test
catpreddb_kcat_kcat_fc48b346a70db1,catpred_iteration1_kcat,kcat,A0A0E3JZT2,A0A0E3JZT2,MESYKPMWLKGAIILAINLMERGYKPVAVGLGERDFYIDIKSDTSITLDEVKKAISKNVLANVPIENNQVVYKGNKVSIVEDKVSIPTNLNPKYFEILNISTHHPNPNEQYVRIRGVAFETEEQLKDYLTWLEKAEETDHRLIGEKLDLFSFHEEAGSGLVLFHPKGQTLRNELITFMREINDSMGYQEVYTSHVLKTDIWKISGHYTLYRDKLIVFNMEGDEYGVKPMNCPAHILIYKSKPRTYRDLPIRFSEFGHVYRWEKKGELYGLLRVRGFVQDDGHIFLKEDQLKEEIKMLISKTVEVWHKFGFKDDDIKPYLSTRPDESIGSDELWEKATNALISALQESGLKFGIKEKEGAFYGPKIDFEIRDSLGRWWQLSTIQVDFNLPERFKLEYIDKDGTKKRPVMVHRAIYGSIDRFVAILLEHFKGKLPTWLSPVQVKVLPITDEVNEYAEKVLNDMRKRRIRAEIDYAGETLSRRIKNAYDQGVPYILIVGKKEASQGTVTVRARGNIEVRNVKFEKFLDLMITEITQRDVEQTTAKALK,C[C@@H](O)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C[C@@H](O)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,C[C@@H](O)[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,1.2041199826559248,,,s_d54f57e297ae930f845fbb67,test
catpreddb_kcat_kcat_fc4e7202a83d5e,catpred_iteration1_kcat,kcat,Q9VG94,Q9VG94,MDLYNMSGSPSTRAVMMTAKAVGVEFNSIQVNTFVGEQLEPWFVKINPQHTIPTLVDNLFVIWETRAIVVYLVEQYGKDDSLYPKDPQKQALINQRLYFDMGTLYDGIAKYFFPLLRTGKPGTQENLEKLNAAFDLLNNFLDGQDYVAGNQLSVADIVILATVSTTEMVDFDLKKFPNVDRWYKNAQKVTPGWDENLARIQSAKKFLAENLIEKL,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>Cl.NC(CCC(=O)NC(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)O)C(=O)O,public_strict_iteration1_fulltrue_msa,-1.5228787452803376,,,s_f8efbcf9ce7b494b2417020b,test
catpreddb_kcat_kcat_fc6c5b44e3db53,catpred_iteration1_kcat,kcat,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,-0.6536470255493614,,,s_0979d0f16275fb9831c00369,test
catpreddb_kcat_kcat_fc7d42e071fcf2,catpred_iteration1_kcat,kcat,Q9WY06,Q9WY06,MKKLTVYLATTNPHKVEEIKMIAPEWMEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFMEEHSYKEKMRTILKMLEGKDRRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDPFFIPDGYDKTFGEIPHLKEKISHRSKAFRKLFSVLEKILESENR,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>O=P(O)(O)O.O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,public_strict_iteration1_fulltrue_msa,1.1420764610732848,,,s_6bd796007fbd75e266556426,test
catpreddb_kcat_kcat_fc98d8e8f697ae,catpred_iteration1_kcat,kcat,Q9SCL7,Q9SCL7,MATVTSNASPKSFSFTVSNPFKTLIPNKSPSLCYPTRNKNHHRLGFSIKATVSTPPSIATGNAPSPDYRVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMITG,CC(O)=N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(O)=N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,CC(O)=N[C@@H](CCC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CC(O)=N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,public_strict_iteration1_fulltrue_msa,2.2730012720637376,,,s_f50adb24004f25117fc4da7c,test
catpreddb_kcat_kcat_fcb63566266b8e,catpred_iteration1_kcat,kcat,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CCCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CCCC(=O)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CCCC(O)C(=O)O.N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.8388490907372552,,,s_6f1b26bb728339167f950138,test
catpreddb_kcat_kcat_fccce66b655313,catpred_iteration1_kcat,kcat,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCC[C@H](N=C(O)[C@H](C)N=C(C)O)C(O)=N[C@@H](C)C(=N)O.O,CC(O)=NCCCC[C@H](N=C(O)[C@H](C)N=C(C)O)C(O)=N[C@@H](C)C(=N)O.O,CC(O)=NCCCC[C@H](N=C(O)[C@H](C)N=C(C)O)C(O)=N[C@@H](C)C(=N)O.O>>,public_strict_iteration1_fulltrue_msa,-1.8860566476931635,,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_kcat_kcat_fd70930fcea44c,catpred_iteration1_kcat,kcat,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,N[C@@H](Cc1ccc(O)cc1)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O,public_strict_iteration1_fulltrue_msa,-1.4814860601221125,,,s_20763196f05a193ee16b396c,test
catpreddb_kcat_kcat_fd7cce39ac2637,catpred_iteration1_kcat,kcat,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=CCCC(=O)O>>NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=C(O)CCC(=O)O.[H],public_strict_iteration1_fulltrue_msa,-1.3010299956639813,,,s_4d647bbdd57b270a8485fab3,test
catpreddb_kcat_kcat_fd9c17a671be2a,catpred_iteration1_kcat,kcat,O50215,O50215,MTLKKDMAVDIDSTNFRQAVALFATGIAVLSAETEEGDVHGMTVNSFTSISLDPPTVMVSLKSGRMHELLTQGGRFGVSLLGESQKVFSAFFSKRAMDDTPPPAFTIQAGLPTLQGAMAWFECEVESTVQVHDHTLFIARVSACGTPEANTPQPLLFFASRYHGNPLPLN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H],Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.[H]>>Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)c1[nH]c(=O)[nH]c(=O)c1N2.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,1.6720978579357175,,,s_b28907c2bd04d1cb9aa313a2,test
catpreddb_kcat_kcat_fdf2fc34563c3f,catpred_iteration1_kcat,kcat,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H],NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1.O=O.[H]>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O,public_strict_iteration1_fulltrue_msa,-1.6020599913279625,,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_kcat_kcat_fe225ade9bb9d5,catpred_iteration1_kcat,kcat,Q2TBQ8,Q2TBQ8,MAAPAPRLISVFSSPQELGASLAQLVVQQAACCLADAGARFTLGLSGGSLVSMLARELPAAAAPAGPASLARWTLGFCDERLVPFEHAESTYGLYRTHLLSKLPIFDSQVITINPALPVEEAAEDYAKKLRQAFQGDSIPVFDLLILGVGPDGHTCSLFPDHPLLQEREKIVAPISDSPKPPPQRVTLTLPVLNAARTVIYVATGEGKAAILKRILEDKEENPLPAALVQPSAGKLCWFLDEAAARLLTVPFEKHSTL,O.O=C1OC(COP(=O)(O)O)C(O)C(O)C1O,O.O=C1OC(COP(=O)(O)O)C(O)C(O)C1O,O.O=C1OC(COP(=O)(O)O)C(O)C(O)C1O>>O=C(O)C(O)C(O)C(O)C(O)COP(=O)(O)O,public_strict_iteration1_fulltrue_msa,4.711638538232349,,,s_68493b29e61814b8b64a4a71,test
catpreddb_kcat_kcat_fe473be92ddfcf,catpred_iteration1_kcat,kcat,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H],CC(=O)C(C)=O.NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1.[H]>>CC(=O)C(C)O.NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,public_strict_iteration1_fulltrue_msa,2.380211241711606,,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_kcat_kcat_fe7e934be99227,catpred_iteration1_kcat,kcat,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2[nH]1.O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2[nH]1.O,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2[nH]1.O>>N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.O=P(O)(O)O,public_strict_iteration1_fulltrue_msa,1.089905111439398,,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_kcat_kcat_fe9722eccd98a2,catpred_iteration1_kcat,kcat,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CC(=O)C(C)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(C)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+],CC(=O)C(C)C(=O)[O-].N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+]>>CC(O)C(C)C(=O)[O-].N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,public_strict_iteration1_fulltrue_msa,0.0791812460476248,,,s_7aed539f1fd0d29a964f808a,test
catpreddb_kcat_kcat_feab058a50019e,catpred_iteration1_kcat,kcat,Q9S446,Q9S446,MKKWTNRLMTIAGVVLILVAAYLFAKPHIDNYLHDKDKDEKIEQYDKNVKEQASKDKKQQAKPQIPKDKSKVAGYIEIPDADIKEPVYPGPATPEQLNRGVSFAEENESLDDQNISIAGHTFIDRPNYQFTNLKAAKKGSMVYFKVGNETRKYKMTSIRDVKPTDVGVLDEQKGKDKQLTLITCDDYNEKTGVWEKRKIFVATEVK,NCC(O)=NCC(O)=NCC(O)=NCC(O)=NCC(=O)O,NCC(O)=NCC(O)=NCC(O)=NCC(O)=NCC(=O)O,NCC(O)=NCC(O)=NCC(O)=NCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,0.041392685158225,,,s_032503462c57c0bc4f25a419,test
catpreddb_kcat_kcat_fef4078e06daff,catpred_iteration1_kcat,kcat,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,NC(N)=Nc1ccc(C(=O)O)cc1[N+](=O)[O-].O,NC(N)=Nc1ccc(C(=O)O)cc1[N+](=O)[O-].O,NC(N)=Nc1ccc(C(=O)O)cc1[N+](=O)[O-].O>>NC(N)=O.Nc1ccc(C(=O)O)cc1[N+](=O)[O-],public_strict_iteration1_fulltrue_msa,2.322219294733919,,,s_58345ae90df4d9185ef408b3,test
catpreddb_kcat_kcat_ff113dd9945c38,catpred_iteration1_kcat,kcat,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)C[C@H](O)C(=O)O>>CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)CC(=O)C(=O)O.[H+],public_strict_iteration1_fulltrue_msa,3.004321373782642,,,s_38b639e09e6ad79b3515ff01,test
catpreddb_kcat_kcat_ff84c382aac07c,catpred_iteration1_kcat,kcat,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O.O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12>>,public_strict_iteration1_fulltrue_msa,2.27415784926368,,,s_431fc32e05c18762846532fd,test
catpreddb_kcat_kcat_ffae80c2063309,catpred_iteration1_kcat,kcat,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)C(SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1)C(C)C)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)C(SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1)C(C)C)C(=O)O.O,CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)C(SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1)C(C)C)C(=O)O.O>>,public_strict_iteration1_fulltrue_msa,2.012837224705172,,,s_9777b390daeddca2aa6c9052,test
catpreddb_kcat_kcat_fff61e2e8d7785,catpred_iteration1_kcat,kcat,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O>>Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O.O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,public_strict_iteration1_fulltrue_msa,0.6998377258672457,,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_0030d14991c455,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_004e79e03d46c0,catpred_iteration1_km,km,P12276,P12276,MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6345120151091003,,s_79bb22d00f99679a2d54532a,test
catpreddb_km_km_0051a6bb4b7ded,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.10790539730952,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_0059f9513f3c3f,catpred_iteration1_km,km,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCCCCCCN,CC(O)=NCCCCCCCCN,CC(O)=NCCCCCCCCN>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_km_km_00671248afd93e,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.853871964321762,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_007640298e3c80,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_0093f54521b315,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_0094c04d5a2bac,catpred_iteration1_km,km,A0A075BSX9,A0A075BSX9,MTEKIYDAIVVGAGFSGLVAARELSAQGRSVLIIEARHRLGGRTHVVNFLGRPVEIGGAGVHWCQPHVFAEMQRYGFGFKEAPLADLDKAYMVFADGQKIDVPPATFDEEYTTAFEKFCSRSRELFPRPYSPLDNHEVSNLDGVSARDHLESLGLNELQLASMNAELTLYGGAPTTELSYPSFVKFHALASWDTITFTDSEKRYHVQGGTNALCQAIFDDCRADSEFGVPVEAVAQTDNGVTVTLADKRVFRALTCVLTLPTKVYADVRFEPPLPPEKRAFIEHAEMADGAELYVHVRQNLGNTFTFCDDPNPFNAVQTYAYDDELGTILKITIGRQSLINLENFDAIAAEIRKIHGDVEVLEALPYNWAMDEYARTSYPAMRKGWFSRYKDMAKPENRLFFAGSATADGWHEYIDGAIESGIRVGREIRHFMKATA,CN1CCC[C@H]1c1cccnc1,CN1CCC[C@H]1c1cccnc1,CN1CCC[C@H]1c1cccnc1>>,public_strict_iteration1_fulltrue_msa,,-0.4023048140744877,,s_f559454f7a41afe33325e9b9,test
catpreddb_km_km_00986acb434112,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,CC(C)(C)c1ccc(O)c(O)c1,CC(C)(C)c1ccc(O)c(O)c1,CC(C)(C)c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_0098da54c9c2ce,catpred_iteration1_km,km,Q81FP2,Q81FP2,MSGLHILAFGAHADDVEIGMAGTIAKYTKQGYEVGICDLTEADLSSNGTIELRKEEAKVAARIMGVKTRLNLAMPDRGLYMKEEYIREIVKVIRTYKPKLVFAPYYEDRHPDHANCAKLVEEAIFSAGIRKYMPELSPHRVESFYNYMINGFHKPNFCIDISEYLSIKVEALEAYESQFSTGSDGVKTPLTEGYVETVIAREKMFGKEVGVLYAEGFMSKKPVLLHADLLGGCK,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.2278867046136734,,s_92e3dfc968bb1c3fb4e38f48,test
catpreddb_km_km_009d88ddb121c7,catpred_iteration1_km,km,P0AC78,P0AC78,MNLLTVSTDLISIFLFTTLFLFFARKVAKKVGLVDKPNFRKRHQGLIPLVGGISVYAGICFTFGIVDYYIPHASLYLACAGVLVFIGALDDRFDISVKIRATIQAAVGIVMMVFGKLYLSSLGYIFGSWEMVLGPFGYFLTLFAVWAAINAFNMVDGIDGLLGGLSCVSFAAIGMILWFDGQTSLAIWCFAMIAAILPYIMLNLGILGRRYKVFMGDAGSTLIGFTVIWILLETTQGKTHPISPVTALWIIAIPLMDMVAIMYRRLRKGMSPFSPDRQHIHHLIMRAGFTSRQAFVLITLAAALLASIGVLAEYSHFVPEWVMLVLFLLAFFLYGYCIKRAWKVARFIKRVKRRLRRNRGGSPNLTK,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-3.297959041997782,,s_11e6397f8f6cf3c068ad881d,test
catpreddb_km_km_00aaf65fc15a13,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,Cn1ccnc1S,Cn1ccnc1S,Cn1ccnc1S>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_00ba6f26049e54,catpred_iteration1_km,km,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.7235381958267558,,s_9cc6c1623917d877b3099a50,test
catpreddb_km_km_00c10388c3b45d,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.2441251443275083,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_00e2db7b14d711,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-4.2076083105017466,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_00ecd71b8334ea,catpred_iteration1_km,km,P74334,P74334,MVTSPPTSSPSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIGDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRGVFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSNLATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSSTLTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEKQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESGTETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILDAQDITAPAIATLKLKHHIPYPLHGSWAQT,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_70ae931ba6eb5833a7ffc65c,test
catpreddb_km_km_00f74657340f7f,catpred_iteration1_km,km,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,CC(Cc1ccccc1)N(C)C,CC(Cc1ccccc1)N(C)C,CC(Cc1ccccc1)N(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.9674997408403936,,s_709e219952fa967255321ee7,test
catpreddb_km_km_00fc0cf25dccec,catpred_iteration1_km,km,Q70G56,Q70G56,MQTKKKPQIGFLGIMQELYDDMLPGITERQEKYAREVIEQLQDVADFHFPKAAKNRQDIEHIVKEFNEKDLDGIMIVMLTYGPATNIVNALRNNKLPIMLANIQPVPTVTEDWDMGDLTYNQGVHGAQDTANAILRMGIKCPIITEEWHSEEFKKFVGDWAKAVQTIKALRNMKIAQFGRMHGMYDILGDDAAFTRKIGPQINQEYIGEVYRYMETATEEEINAVIEENRKNFYIDPNLSEESHRYAARLQIGFKKFLINKGYDGFTAHFDVFKGDGRFKQIPMMAASNLMAEGYGYAAEGDAVTASLVAAGHVLIGDAHFTEMYAMDFKRNSILMSHMGEGNWKIARKDRPIKLIDRELGIGKLDNPPTIVFMAQPGPATLVSLVSLEGERYRLVVSKGEILDTEEAKYIEMPYFHFRPSTGVKACLDGWLTNGGTHHECLNLGDNTRRWKILCNLLDIEYVEV,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.0791812460476247,,s_5bb818cef7cbd7d4823f00e0,test
catpreddb_km_km_0113408b41950e,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CCCC(C)O,CCCC(C)O,CCCC(C)O>>,public_strict_iteration1_fulltrue_msa,,-2.2518119729938,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_0117ea4706ab4d,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_01193b7bf68f9d,catpred_iteration1_km,km,Q9D110,Q9D110,MAAVTVNSAKRGLRAELKQRLRALSAEERLRQSLLLTQKVIAHNQYQNSKRISIFLSMQDEVETEVIIKDIFKQGKICFIPRYQFQSNHMDMVRLTSSEEIALLPKTSWNIHQPGEGDVREEALSTGGLDLIFLPGLGFDKDGNRLGRGKGYYDTYLKRCVQHQEVKPYTMALAFKEQICPQIPVDEHDMKVDEVLYEDSPAS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1140736601985689,,s_80e07502537b5f09b4ea0de2,test
catpreddb_km_km_01201d4a680f65,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,1.4440447959180762,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_0134090fa077d5,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-2.3467874862246565,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_01456576b5b275,catpred_iteration1_km,km,P31213,P31213,MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCLHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-3.682258126592545,,s_7be15bef7aeb161cc050a294,test
catpreddb_km_km_01586a03cbfae1,catpred_iteration1_km,km,Q9SWR3,Q9SWR3,MAAVTGLYGSIDEFLNHCSQSGDSAYSALRSLLERLEKPDTRTEARIFLAHLQKKLDNDGASQRCLETYHFQIQDIYLDRNEGTGYQNRKKFTMMVIPSIFMPEDWSFTFYEGINRHPDSIFKDKTVAELGCGNGWISIAIAEKWLPLKVYGLDINPRAVKISWINLYLNAFDEDGQPVYDSESKTLLDRVEFYESDLLSYCRDNHIELERIVGCIPQILNPNPDAMSKLVTENASEEFLHSLSNYCALQGFVEDQFGLGLIARAVEEGIDVIKPMGIMIFNMGGRPGQGVCKRLFERRGLSVNKLWQTKILQASDTDISALVEIEKNNPHRFEFFMGLVGDRPICARTAWAFGKACGRISHALSVYSCQLRHPNEVKKIFEFLKNGFHDISNSLDLSFEDDSVADEKIPFLAYLAGVLKDGSRFPYEPPTGNKRFRDLIASFMKTYHHVPLSTDNVAIFPSRATAIENSLRLFTPRLAIVEEHLTCNLPRQWLTSLEIEARTPLPSHAAIICGLLRNRVYTDLEVAFVISEEQTIFDALTRTVELLQGNTALISQYYYGCLFHELLSFQIPDRRQTAEREAENVEASDIDMIGFSSSAISVLSQSELSVRVTEKSSLLHMDVDQIFLPTPTPVKAAIFESFARQNVTETECDVTPILRQFILNTWNFSVEHSAEFIYADFPLALFNKLVLCCIEEGGSLCMPAGSNGNYAAAAKFLNANIMSIPTEAEVGFKLTAKQLSSVLETVHKPWVYISGPTINPTGLLYSNEEMKSLLTVCARYGARTIIDTSFSGIKFNSQDWDGWNLDASLAGLTGNPSFSVCLLGGLFFKIPTGGLSYGFLVLKSGFLADSFRSSFSGLNKPHNTVRYTAKKLLELGEQKGNLTGAAQGQEKLLATRLKRLKETLENCGWEVIEARGGVSVIAKPSAYLGKNIKLEKDGSTWVTKLDGTNIREAMLRATGLCINGPSWTGIPDYCRFTFALEDGDFDRALDCIVKFNQLVK,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_be7406691cb4f4d2e1066167,test
catpreddb_km_km_0165d2942bda1e,catpred_iteration1_km,km,O28635,O28635,MAEFEIYREYVDKSYEPQKDDIVAVFRITPAEGFTIEDAAGAVAAESSTGTWTSLHPWYDEERVKGLSAKAYDFVDLGDGSSIVRIAYPSELFEPHNMPGLLASIAGNVFGMKRVKGLRLEDLQLPKSFLKDFKGPSKGKEGVKKIFGVADRPIVGTVPKPKVGYSAEEVEKLAYELLSGGMDYIKDDENLTSPAYCRFEERAERIMKVIEKVEAETGEKKSWFANITADVREMERRLKLVAELGNPHVMVDVVITGWGALEYIRDLAEDYDLAIHGHRAMHAAFTRNAKHGISMFVLAKLYRIIGIDQLHIGTAGAGKLEGQKWDTVQNARIFSEVEYTPDEGDAFHLSQNFHHIKPAMPVSSGGLHPGNLEPVIDALGKEIVIQVGGGVLGHPMGAKAGAKAVRQALDAIISAIPLEEHAKQHPELQAALEKWGRVTPI,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_f607cb2d497e3edc6baff1a2,test
catpreddb_km_km_0168505043b7d5,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1nc2c(c[nH]1)ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@H]1O,N=c1nc2c(c[nH]1)ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@H]1O,N=c1nc2c(c[nH]1)ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2839966563652008,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_01757a3f188fc2,catpred_iteration1_km,km,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.2781893847874533,,s_0ad9625fa36195c17c775d5c,test
catpreddb_km_km_01a146b3fc5418,catpred_iteration1_km,km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public_strict_iteration1_fulltrue_msa,,-2.1426675035687315,,s_731307d31ab453cb17afec38,test
catpreddb_km_km_01bfaea04fc365,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO>>,public_strict_iteration1_fulltrue_msa,,-1.1191864077192086,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_01c9ea4ea3c4f6,catpred_iteration1_km,km,P80175,P80175,MKTKAAVLHSAGKPFEIEELELDGPREGEVLIKYTAAGLCHSDLHLIDNDLVPRFPIVGGHEGAGVIEDVGPGVTKVKPGDHVVCSFIPNCGTCRYCATGRSNLCDMGATILDGGMPDGSFRFHRGGTDYGAMCMLGTFSERATISQHSVVKVDDWLPLETAVLVGCGVPTGWASANYAGGVRAGDTCVVYGIGGIGINAVQGAAHAGAANVIAVDPVAFKREKALELGATHAFASADEAAAKVAELTWGQMADQALITVGTVVEQVVTDAFNVIGKGGTVVITGLANPEKLTVHLSGGVMTLFEKTVKGTLFGSANPQYDIVRLLRLYQAGHVKLDELVTKRYSLEEVNEGYQDLRDGKNIRGVIMHSAD,CCCCO,CCCCO,CCCCO>>,public_strict_iteration1_fulltrue_msa,,-2.6020599913279625,,s_f32cba546b1c78d43371d9b7,test
catpreddb_km_km_01ca5d24369c2c,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CCC(=O)C(=O)O,CCC(=O)C(=O)O,CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_01e4509eca6421,catpred_iteration1_km,km,Q27705,Q27705,MLSSSHLPTTIVTPKNVPTLGVLVGGGPAPGINGVIGAVTIEAINNGYRVLGFLEGFQNLILQDDSKIVELTIDSVSRIHFEGGSILKTSRANPTKKQEDLQKVVKQLQKFNVSLLVTIGGDDTAFSSMSVAKAANNEIHVVTLPKTIDNDLPLPYGIPTFGYETAREFGANVVRNLMTDASTASRYFIVVAMGRQAGHLALGIGKSAGSHLTLIPEEFLPTTDSTEPEVTFSRICDMIEASIIKRLYTSKKDHGVIVLAEGLLEYMSTDELKQAFGSSLKYDAHDHIMLAELDFGRLVRDEMRERMNRRGLKIAFTEKNLGYELRCAPPNAFDREYTRDLGNGAVRYLLNGGNGALITVQGVKMVPLSFDDLKDPRTGKTRTRQVDVSSEGFQVAKRYMIRLEKKDFEKEETLKGLAATAKCSVEDFIKQFKYLVQ,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_009bffb5a8febe1432335e9c,test
catpreddb_km_km_01e52df380cd21,catpred_iteration1_km,km,Q9S427,Q9S427,MNKIYCLAVLSLTLLSPLALANTATEFDGPYVITPISGQSTAYWICDNRLKTTSIEKLQVNRPEHCGDLPETKLSSEIKQIMPDTYLGIKKVVALSDVHGQYDVLLTLLKKQKIIDSDGNWAFGEGHMVMTGDIFDRGHQVNEVLWFMYQLDQQARDAGGMVHLLMGNHEQMVLGGDLRYVHQRYDIATTLINRPYNKLYGADTEIGQWLRSKNTIIKINDVLYMHGGISSEWISRELTLDKANALYRANVDASKKSLKADDLLNFLFFGNGPTWYRGYFSETFTEAELDTILQHFNVNHIVVGHTSQERVLGLFHNKVIAVDSSIKVGKSGELLLLENNRLIRGLYDGTRETLQENSLNQ,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2076083105017461,,s_16d826d36daabc8090db65c5,test
catpreddb_km_km_01e6bbc7f46773,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_01e8e654a2cf14,catpred_iteration1_km,km,P34736,P34736,MSSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAAVATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLGDYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRLSALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGNETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKADIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSVLPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEGVAERAAKTVAFYKGKDVVSPLRSAF,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7880904540172979,,s_a8398d2297f36238cd95c90d,test
catpreddb_km_km_01ebac72d0602c,catpred_iteration1_km,km,P26150,P26150,MPGWSCLVTGAGGFLGQRIIQLLVQEKDLEEIRVLDKVFKPETREQFFNLGTSIKVTVLEGDILDTQYLRRACQGISVVIHTAAIIDVTGVIPRQTILDVNLKGTQNLLEACIQASVPAFIFSSSVDVAGPNSYKDIVLNGHEDEHRESTWSDPYPYSKKMAEKAVLAANGSMLKNGGTLQTCALRPMCIYGERSQFLSNTIIKALKNKFILRGGGKFSTANPVYVGNVAWAHILAARGLRNPKKSPNIQGEFYYISDDTPHQSYDDLNYTLSKEWGFCLNSRWYLPVPILYWLAFLLETVSFLLSPIYRYIPPFNRHLVTLTASTFTFSYKKAQRDLGYEPLVSWEEAKQKTSEWIGTLVEQHRETLDTKSQ,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-2.987162775294828,,s_5c7361b46f468ad26b6179a2,test
catpreddb_km_km_01ee001a50ad92,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.055517327849832,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_02161705e47cc2,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,O=C(O)C(=O)CF,O=C(O)C(=O)CF,O=C(O)C(=O)CF>>,public_strict_iteration1_fulltrue_msa,,0.951823035315912,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_021a8ca1397998,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(=N)[nH]ccc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(=N)[nH]ccc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(=N)[nH]ccc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6497519816658371,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_021fe891fce161,catpred_iteration1_km,km,O97157,O97157,MDKRMITDAFEEIKWNGWGDTGVCIKYDEARQLPIHTNGKPMKHLLKFMKDDVLKVKGEFKIKPTPGLTKEEAIKRLPPPVVKQPFVDELRQVLSKDQIRLDAYARLTHIFGKNYRDLWRVRRGMIDRPPDAVILPNNHDDCVKIMELAQKHNVVVVPFGGGTNVTGGVEPNPFETRRMVISIDMRRMGRMLHIDTESGTAVFEVGVLGPDIDEQLSRYGFMMGHDPDSYAYSTLGGWIAARGSGAMSNKYGDIENMILAMRVVTPVGVVETPLTSRPCGVDLNAMFVGSEGAFGLVTEAVVKIERLPEVKRYEGWLFPSFEVAFTAFHTCTRKGIHPCTMRLYDEDDTRLSFAASTDSGLVSTFFSKCFKKYIATVKGWNLSKISLVVVGFEGTKAQTNCQRSELVGVFQAFGATCLGTKPGNTWQEKKYDLPYLRDFALAHNFWADVFETSVLYTDAIHCWRAVKKSFAEVMAENGKNAWIGCHTAHQYRFGCCLYFTFIGGQADENDLKIFLQVKKRAMEVMLQHRGNLTHHHGIGYEHVPWMKRYNGEGGLDAIMKFKKALDPKNICNPGKLLPSPPSEKETPKATQARQNREMMFDKMGIPGALQAHL,CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_61991ebaceb2f67f3f32d3f9,test
catpreddb_km_km_021ff510868798,catpred_iteration1_km,km,Q3SEZ6,Q3SEZ6,MSKLVRPHGGGELKPLLLTGDALSAEKARAASLPQLKMSSRETGDLIMMGIGGFTPLDGFMTKSDWQGVCDGYKMTNGLFWPIPITLSTDDESIKDGDELALVDAETGEIMGTMKVTDKYTIDKAHECMQVYKTTDMEHPGVKMVMAQGKYNLAGPVKVLSTGNFKEEYGEQFMTPAETRAKFEQMGWSRVAAFQTRNPMHRSHEYLAKIAIETMDGVLVHSLLGALKPGDIPAEVRSEAIATLIDNYFAPNTVIQAGYPLDMRYAGPREALLHALFRQNYGCSHLIVGRDHAGVGDYYGPFDAQKIFDEIPKGSLETVNMNIDWTFWCKKCGGMASQRTCPHTKDDRILLSGTKVRAMLSEGQDLPVEFSRPEVAKVLQKYYAGLSAEQNVKVELKGHSAA,O=S(=O)([O-])[O-],O=S(=O)([O-])[O-],O=S(=O)([O-])[O-]>>,public_strict_iteration1_fulltrue_msa,,1.230448921378274,,s_a2d3076d9d34a37b59469d1b,test
catpreddb_km_km_022dbe3b56c675,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N=C(C)O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N=C(C)O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N=C(C)O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7558748556724915,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_0230be9f22d9b1,catpred_iteration1_km,km,Q8CFX1,Q8CFX1,MLLAAMCLALLGCLQAQELKGHVSIILLGATGDLAKKYLWQGLFQLYLDEAGKGHSFSFHGAALTAPQQGQKLMDKVLESLSCPKDLVPSRCDELKGQFLQLSQYRQLKTVEDYQTLNKDIETQVQQDGLWEAGRIFYFSVPPFAYADIARNINSSCRPHPGAWLRVVFEKPFGHDHLSAQQLASELGSFFQEEEMYRVDHYLGKQAVAQILPFRDQNRKALDGLWNRHHVERVEIILKETIDAEGRASFYEEYGVIRDTLQNHLTEILTLVAMELPLNISSSAAVLQHKLWAFQALRGLQKSSAILGQYQAYSGQVRRELQKPDGFQSLTPTFAGVLVHIDNLRWEGVPFILMSGKALDERVGYVRIVFKNRAYCTQSERHWVPEQSRCLPQQIIFYIGHGELGHPAILVSRNLFKPSLPTQKWKEVQDQPGLRLFGRPLSDYYAYRPVREQDAYSTLLSHIFHCRKESFITTENLLASWVFWTPLLDSLAFEVPRPYPGGAENGQLLDFEFSGGQLTFSQQQLEVLIPDLGSVPKPSDFQVLGARYRQSPLITAWPEELISKLASDIEAAAVQAVRHFGKFHLALSGGSSPIALFQQLATGHYSFPWAHTHLWLVDERCVPLSDPDSNFQGLQAHLLQHVRVPYYNIHPMPVHLHQRLCAEEDQGAQTYASEISALVANSSFDLVLLGMGTDGHTASLFPQSPTGLDGDQLVVLTESPFRPHQRMSLSLPLINRAKKVAVLVMGRTKREITTLVSRVGHEPKKWPISGVVPLSGQLVWYMDYEAFLG,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.9092580719142267,,s_c9e6061fcb35fa36b2f38e0f,test
catpreddb_km_km_023b426a635896,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,C=CC=O,C=CC=O,C=CC=O>>,public_strict_iteration1_fulltrue_msa,,0.1613680022349748,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_0262655fc199dc,catpred_iteration1_km,km,P79076,P79076,MSTSSSDPFFNFTKSSFRSAAAQKASATSLPPLPGPDKKVPGMDIKYDVVIVGSGPIGCTYARELVEAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVIDTLSPTSWQASSFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDQDADDAEWDRLYTKAESYFKTGTDQFKESIRHNLVLNKLAEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPNERFNLFPAVACERVVRNTSNSEIESLHIHDLISGDRFEIKADVFVLTAGAVHNAQLLVNSGFGQLGRPDPANPPQLLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMIIRGNPGDLGYSVTYTPGAETNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPSHPWHTQIHRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKITDTYNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFMEPGLVLHLGGTHRMGFDEQEDKCCVNTDSRVFGFKNLFLGGCGNIPTAYGANPTLTAMSLAIKSCEYIKNNFTPSPFTDQAE,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2441251443275085,,s_a65237b33467b3d991176a6b,test
catpreddb_km_km_02627abbfdeca2,catpred_iteration1_km,km,O93627,O93627,MVEKFDTIYDYYVDKGYEPSKKRDIIAVFRVTPAEGYTIEQAAGAVAAESSTGTWTTLYPWYEQERWADLSAKAYDFHDMGDGSWIVRIAYPFHAFEEANLPGLLASIAGNIFGMKRVKGLRLEDLYFPEKLIREFDGPAFGIEGVRKMLEIKDRPIYGVVPKPKVGYSPEEFEKLAYDLLSNGADYMKDDENLTSPWYNRFEERAEIMAKIIDKVENETGEKKTWFANITADLLEMEQRLEVLADLGLKHAMVDVVITGWGALRYIRDLAADYGLAIHGHRAMHAAFTRNPYHGISMFVLAKLYRLIGIDQLHVGTAGAGKLEGGKWDVIQNARILRESHYKPDENDVFHLEQKFYSIKAAFPTSSGGLHPGNIQPVIEALGTDIVLQLGGGTLGHPDGPAAGARAVRQAIDAIMQGIPLDEYAKTHKELARALEKWGHVTPV,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_076a50cdebdc64e0dbaff408,test
catpreddb_km_km_02a8ad3eb62b78,catpred_iteration1_km,km,Q9ZS21,Q9ZS21,MAAEPKESPSNNPGLHTTPDEATKGYIMQQTMFRIKDPKVSLDFYSRVLGMSLLKRLDFPEMKFSLYFMGYENTAEAPSNPIDKVVWTFSQKATIELTHNWGTESDPEFKGYHNGNSEPRGFGHIGVTVDDTYKACERFQNLGVEFVKKPEDGKMKGIAFIKDPDGYWIEIFDRKTIGNVTQTAA,N[C@@H](CCC(O)=N[C@@H](CSC(O)C(=O)c1ccccc1)C(O)=NCCC=O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSC(O)C(=O)c1ccccc1)C(O)=NCCC=O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSC(O)C(=O)c1ccccc1)C(O)=NCCC=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0942124970647034,,s_ca14e288fdf99ccf6b36bc00,test
catpreddb_km_km_02b0757ede70ce,catpred_iteration1_km,km,D4GP40,D4GP40,MVEQAKLSDPNAEYTMRDLSAETIDITNPRGGVRDAEITDVQTTMVDGNYPWILVRVYTDAGVVGTGEAYWGGGDTAIIERMKPFLVGENPLDIDRLYEHLVQKMSGEGSVSGKVISAISGIEIALHDVAGKLLDVPAYQLVGGKYRDEVRVYCDLHTEDEANPQACAEEGVRVVEELGYDAIKFDLDVPSGHEKDRANRHLRNPEIDHKVEIVEAVTEAVGDRADVAFDCHWSFTGGSAKRLASELEDYDVWWLEDPVPPENHDVQKLVTQSTTTPIAVGENVYRKFGQRTLLEPQAVDIIAPDLPRVGGMRETRKIADLADMYYIPVAMHNVSSPIGTMASAQVAAAIPNSLALEYHSYQLGWWEDLVEEDDLIQNGHMEIPEKPGLGLTLDLDAVEAHMVEGETLFDEE,O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_0b173980928d42e9a131d40f,test
catpreddb_km_km_02b0e670c0dec7,catpred_iteration1_km,km,Q9QXN5,Q9QXN5,MKVDVGPDPSLVYRPDVDPEMAKSKDSFRNYTSGPLLDRVFTTYKLMHTHQTVDFVSRKRIQYGSFSYKKMTIMEAVGMLDDLVDESDPDVDFPNSFHAFQTAEGIRKAHPDKDWFHLVGLLHDLGKIMALWGEPQWAVVGDTFPVGCRPQASVVFCDSTFQDNPDLQDPRYSTELGMYQPHCGLENVLMSWGHDEYLYQMMKFNKFSLPSEAFYMIRFHSFYPWHTGGDYRQLCSQQDLDMLPWVQEFNKFDLYTKCPDLPDVESLRPYYQGLIDKYCPGTLSW,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9518978550959072,,s_96ef870cec881ab11687152e,test
catpreddb_km_km_02c64a40bcacc9,catpred_iteration1_km,km,A0A837K328,A0A837K328,MKVTFAQLKEAFNRVLLSRGIAAETADACAEMFARTTESGVYSHGVNRFPRFIQQLDNGDIIPDAKPQRVTSLGAIEQWDAQRSIGNLTAKKMMDRAIELASDHGIGLVALRNANHWMRGGSYGWQAAEKGYIGICWTNSIAVMPPWGAKECRIGTNPLIVAIPSTPITMVDMSMSMFSYGMLEVNRLAGRTLPVDGGFDDEGNLTKEPGVIEKNRRILPMGYWKGSGLSIVLDMIATLLSNGSSVAEVTQDNSDEYGVSQFFIAIEVDKLIDGKTRDAKLQRIMDFITTAERADENVAVRLPGHEFTRLLEENRRNGITVDDSVWAKIQAL,O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO,O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO,O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.0644579892269184,,s_4e608b57eb129d0c5473f2a8,test
catpreddb_km_km_02d13adb112ed4,catpred_iteration1_km,km,P07170,P07170,MSSSESIRMVLIGPPGAGKGTQAPNLQERFHAAHLATGDMLRSQIAKGTQLGLEAKKIMDQGGLVSDDIMVNMIKDELTNNPACKNGFILDGFPRTIPQAEKLDQMLKEQGTPLEKAIELKVDDELLVARITGRLIHPASGRSYHKIFNPPKEDMKDDVTGEALVQRSDDNADALKKRLAAYHAQTEPIVDFYKKTGIWAGVDASQPPATVWADILNKLGKD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_1f23c381ca08eaa47156ef8e,test
catpreddb_km_km_02d1433c9ddee5,catpred_iteration1_km,km,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,COc1cc(/C=C/C=O)cc(O)c1O,COc1cc(/C=C/C=O)cc(O)c1O,COc1cc(/C=C/C=O)cc(O)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.5113083016830594,,s_08cbf502c176a7783bac2948,test
catpreddb_km_km_02dbb73dec8478,catpred_iteration1_km,km,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.1957527303601547,,s_48e9b1367836a0093d7ae75d,test
catpreddb_km_km_02dee35bfc3e24,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)OCc1ccccc1,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)OCc1ccccc1,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.2474250108400469,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_02e45576a296bc,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,C[C@H](O)[C@H](O)C1CNc2c(O)nc(=N)[nH]c2N1,C[C@H](O)[C@H](O)C1CNc2c(O)nc(=N)[nH]c2N1,C[C@H](O)[C@H](O)C1CNc2c(O)nc(=N)[nH]c2N1>>,public_strict_iteration1_fulltrue_msa,,-0.6575773191777937,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_02ea1370760b77,catpred_iteration1_km,km,F8KAY7,F8KAY7,MSRFIRASQRRTLLATLIAATLAQPLLAAESLDSKPASAITAAKNAEVLKNLPFADREEFEAAKRGLIAPFSGQIKNAEGQVVWDMGAYQFLNDKDAADTVNPSLWHQAQLNNIAGLFEVMPKLYQVRGLDPANMTIIEGDSGLVLIDTLTTAETARAALDLYFQHRPKKPIVAVVYSHSHIDHFGGARGIIDEADVKAGKVKVFAPSGFMEHAVSENILAGTAMARRGQYQSGVMVPRGAQAQVDSGLFKTTATNATNTLVAPNVLIEKPYERHTVDGVELEFQLTLGSEAPSDMNIYLPQFKVLNTADNAPPAMHNLLTPRGAEVRDAKAWAGYIDASLEKYGDRTDVLIQQHNWPVWGGDKVRTYLADQRDMYAFLNNRALNLMNKGLTLHEIAAEVSKLPGELDRKWYLRSYYGALSTNLRAVYQRYLGFYDGNPANLDPFPPVEAGKRYVEAMGGADAVLKQMRAAIDKGDYRWAVQLGNHLVFADPANKDARALQADAMEQLGYQTENALWRNMYMTGAMELRHGVPTYDSRGKSEMGRALTPDMFFDLLAIRLDTDKAVGHDMTLNWVFEDLKQDIALTLRNGVLTQRVGSLNPKADVTVKLTKPTLDQIAARKLDLPTAIKQGTVKLDGDGKKLGEFFGLLDSFSPKFNIVEPLE,CCCCC(CCCC)OS(=O)(=O)O,CCCCC(CCCC)OS(=O)(=O)O,CCCCC(CCCC)OS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_216fa5d4fb38cba1bff072cb,test
catpreddb_km_km_02f2322636b9d7,catpred_iteration1_km,km,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.9858753573083936,,s_2d84b510953f7377dca5997d,test
catpreddb_km_km_02f26e7bc826d9,catpred_iteration1_km,km,B5ARZ9,B5ARZ9,MNLKNLIIYEAFARAYPGEKGKKFLSLEKDLERLKGMGINTVWLMPIHPTGVEGRKGTLGSPYAIRDYYEIDLLIGTKGDFKKFVKRAHELNMYVLMDMVLNHAAVDNVLVKKHPEWFLRDENGNPTRKVPDWSDVVDFDYSNGELREYMINMMRYWVEEFDVDGFRCDVAGLVPLDFWLQARKNLDPVKRLIWISETHDPYMYQAFDITYDYDGYYRFRDFIEGKNSLREYIDFLRMQDHMYPRGYIKMRFLENHDQPRVAKFLSRESLMHWIAFLFTVKGVPLVHNGQEYALKEDLDIFNEYTLPIPGEENEIFSLHRKLAHYRYKTNVFSNGEMIFIRNDQPERVISYLWRHGNRFILCVLNPLLENTSVTLDFSGIWENICIHSKNVFNDDIVRVSVKNSRAKIKVGREPLILSFVLY,O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.3909351071033791,,s_c2ee9fcdf9a067adb2bd36a5,test
catpreddb_km_km_0317b9eb25058d,catpred_iteration1_km,km,P27583,P27583,VYEQVSIEVPQSVEAPVVIITGASEIEASTIQALSFGPDVXKEADVEAMIKAVDAWGQVDVLINNAGITRAGVIGLQKNINVNAIAPGFIASDMTAKILETIPLGR,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.0315170514460648,,s_77aca37ee5f7dc02d6fd45fc,test
catpreddb_km_km_03337778d62f6d,catpred_iteration1_km,km,Q9VUY9,Q9VUY9,MSLTVEIVATKPYEGQKPGTSGLRKKVKVFTQPNYTENFVQAILEANGAALAGSTLVVGGDGRFYCKEAAELIVRLSAANGVSKLLVGQNGILSTPAVSSLIRHNKALGGIVLTASHNPGGPENDFGIKFNCENGGPAPDAFTNHIYKITTEIKEYKLVRNLQIDISKVGVTSFDIAGKPFTVEVIDSVANYVRHMEEIFDFAKLKDFVSGKATGKPLKMRIDAMNGVTGSYVREIFLNRLGATESSVVHTTPLPDFGGLHPDPNLTYAKDLVDTVAQGDYDIGAAFDGDGDRNMIIGSKAFFVTPSDSLAVIAHYLEAIPYFQKNGVQGFARSMPTASAVDLVGRKLGKEVFEVPTGWKYFGNLMDAGRLCLCGEESFGTGSNHIREKDGIWAVLAWISVMQHTGKGIEDILKQHWSVYGRNYFTRYDYEECASDPCNEMVATMEKTITAPEFVGKSYSSGGKTYKVKEADNFSYTDPVDKSVATKQGLRIVFEDGSRIVVRLSGTGSSGATVRLYIDSYEKENVLGQASVMLKPLIDIALEISQLPKFTGRNAPTVIT,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8628872424351374,,s_18b3a6c0dc5c34929db08861,test
catpreddb_km_km_033fe6a6415a0a,catpred_iteration1_km,km,P09367,P09367,MAAQESLHVKTPLRDSMALSKVAGTSVFLKMDSSQPSGSFKIRGIGHLCKMKAKQGCKHFVCSSVVQIWGSRMRGRSHSGDEQPHVRSQALLPDTPSPLTAGNAGMATAYAARRLGLPATIVVPSTTPALTIERLKNEGATVEVVGEMLDEAIQLAKALEKNNPGWVYISPFDDPLIWEGHTSLVKELKETLSAKPGAIVLSVGGGGLLCGVVQGLREVGWEDVPIIAMETFGAHSFHAAVKEGKLVTLPKITSVAKALGVNTVGAQTLKLFYEHPIFSEVISDQEAVTAIEKFVDDEKILVEPACGAALAAVYSGVVCRLQAEGRLQTPLASLVVIVCGGSNISLAQLQALKAQLGLNELLK,NC(CO)C(=O)O,NC(CO)C(=O)O,NC(CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.948035035204532,,s_992ea70b163f023a55cf755b,test
catpreddb_km_km_0342c862a8370e,catpred_iteration1_km,km,A3DEX4,A3DEX4,MPKKLKKIIKLCSMVFVIGILTLLLPEKGAADYPIFSQRFTADPAAVVYNGRLYIYCSHDSDATPGQSTYNIPDITCISTDDLKNWTDHGEVFNAKRDSRWASVSWAPSIVYRNNKFYLYYGNGGNGIGVAVSDSPTGPFKDPLPGPLVSWNTPGVQPAQNMWLFDPGVFVDDDGQAYMYFGGNGQNNIRVIKLGNDMISTVGSAMTMSAPRFFEAAYMHKYNGKYYFSYASDFSQGASKIEYMMSDKPTTGFQYKGVILPQPPDNYSNNNHHAIVEYKGNWYVVYHNRTVAKQRGLDPVYQRNVCIDQMFYNADGTIKQVVPTVDGLKQLKYVDPYTKNLAVTMHKESGIETEECSEGGRNVAFIENGDWIQVKGVDFGNVGPTSFEARVASATNGGNIEIRLDSPTGTLIGTCKVEGTGDWQKWVTKTCSVSKVTGVHDLFFRFTGGSGYLFNFSWWKFNSDATPTPTPPPQPSTVPVTERSAFSKIEVEDFNDIKSSTIQKIGTPNGGSGIGYIENGDWLAYKNIDFGNGATTFKALVASTLSPNIELRLDSPTGTLIGTLKVAATGGFNAYEEQSCNISKVTGKHDLYLVFSGAVNIDWFTFGGSSGIIKRGDTNSDGKINSTDVTALKRHLLRVTQLTGDNLANADVNGDGNVNSTDLLLLKRYILGEIENFPI,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.3494850021680094,,s_55fc837940c28ac01a3c5307,test
catpreddb_km_km_0372c5ac503d95,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-],CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-],CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.0457574905606752,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_0384464c08abb6,catpred_iteration1_km,km,A0A097APA2,A0A097APA2,MAKVMKTMDGNTAAAHVAYAFTEVAAIYPITPSSPMAELIDQWSAHGRKNIFGQPVKVIEMQSEAGAAGAVHGSLAAGALTTTFTASQGLLLMIPNMYKIAGELLPGVFHVSARAVATHALSIFGDHSDVMACRQTGFAMLASGSVQEVMDLASVAHLSAIKGRVPFLHFFDGFRTSHEVQKIEVLDYEDLKKLVDYDALKAFRERALNPERPVIRGTAQNPDIFFQGREAANRFYNALPEVVEYYMNEISKLTGREYKLFNYYGAPDAERIIIAMGSVTETIEETVDYLMKKGEKVGVVKVHLYRPFSIKHFLDVIPKTVKKIAVLDRTKEPGSIGEPLYEDVKTAFFDSELRPVIVGGRYGLGSKDTTPAQIIAVFDNLKADEPKDHFTIGIIDDVTFTSLPVGEEVDTTPEGTTSCKFWGFGSDGTVGANKSAIKIIGDNTDLYVQAYFSYDSKKSGGVTVSHLRFGKKLIRSTYLINKADFIACHKQSYVYNYDILGIAVDVPEWQIDNCIQCNQCAFVCPHAAIRPFLLTEEEVKNAPEGFKVKKAIGKGFEGLYYRIQVSVLDCTGCGVCVNECPAKEKALVMKPLEIQMEEAKNWEYAMTLSPKENPMNKETVKGSQFERPLLEFSGACAGCGETPYAKLVTQLFGDRMMIANATGCSSIWGASAPSTPYCTNHEGKGPAWANSLFEDNAEFGLGMALAVKQQRAKLADIVKELLELNITAELKEALQFWLDNMMDGKKSKEATIKLLPILQNYKAEDAKVKELINKVLERKDYLIKKSQWIFGGDGWAYDIGYGGLDHVLASGEDINVLVFDTEVYSNTGGQSSKATPVGAVAQFAAAGKPIGKKDLGRMAMTYGYVYVAQVAMGASQTQLVKALVEAESYPGPSLIIAYAPCIAHGIKQGMSCSQLEEKKAVEAGYWVLYRYNPLLKKEGKNPFILDSKPPKLSVQDFLKGEVRFSALEKTFPERAQKLFEEAEKQAQERYKIYEKLAKDE,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_28dac2be3ba624348740b7dc,test
catpreddb_km_km_038ad916f94d2a,catpred_iteration1_km,km,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.506505032404872,,s_2d84b510953f7377dca5997d,test
catpreddb_km_km_03965c3b3257ca,catpred_iteration1_km,km,P20445,P20445,MAPKVGINGFGRIGRIVFRNAIEAGTVDVVAVNDPFIETHYAAYMLKYDSQHGQFKGTIETYDEGLIVNGKKIRFHTERDPANIPWGQDGAEYIVESTGVFTTQEKASAHLKGGAKKVVISAPSADAPMFVMGVNNETYKKDIQVLSNASCTTNCLAPLAKVINDNFGIIEGLMTTVHSYTATQKVVDGPSAKDWRGGRTAATNIIPSSTGAAKAVGKVIPSLNGKLTGMAMRVPTSNVSVVDLTVRTEKAVTYDQIKDAVKKASENELKGILGYTEDDIVSTDLNGDTRSSIFDAKAGIALNSNFIKLVSWYDNEWGYSRRVVDLITYISKVDAQ,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1611509092627446,,s_413fe08ecc98d0498e914794,test
catpreddb_km_km_039c147bcea58b,catpred_iteration1_km,km,A0A0U4HGR1,A0A0U4HGR1,MNWLIAFAVIVVVQATPSLKTGFDAFSDQLIQYVNEKSGASWRAVRSTRFNSVEHMKQHLGALAETPEQRKSRRPTVRYQVSDSDLPESFDARKQWPNCPSISEIRDQSGCGSCWAFGAVGAMSDRVCIHSKGQMKPHLSARDLLSCCEFCGRGCRGGSPALAWDYWKSNGIVTGGSLEEPTGCAPYPFPKCAHHGSSGGYKPCPEQYYPTPTCHWECQVGYNKTYDEEKFYAISSYNVYGGEENIMYEIMKNGPIEASFDVFADFMVYKSGIYSHETGDFLGRHAIRLFGWGVENGVKYWLIANSWNEEWGENGYFRIRRGTDECSIGSRITTGMPRL,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)OCc3ccccc3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.5813673126459346,,s_136971267e351402423ead77,test
catpreddb_km_km_03afb7c241cb0f,catpred_iteration1_km,km,Q93Y52,Q93Y52,MALAIRSSLRAAAMGRKAFRQAVPVRVAPAQRVRSVTTASAEITAYSVEEKGPKDSLEYRMFFKQGAKEVSCWHEIPLYAGDGHLHYICEIPKETSAKMEVATDEPRTPIKQDVKKGKLRFYPYNINWNYGMLPQTWEDPGHTDATLGAAGDNDPVDVVEIGAAAAKRGGVYKVKPVGVLAMIDDGELDWKVIAISADDPKAALCNDVEDVEKHFPGEIQKVLEWFRDYKIPDGKPANKFGYDNKCMNKEFTLNVIKETHEAYVKLKSGARANSEELSLI,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_faf2b5bd6247f64d1fe7da39,test
catpreddb_km_km_03b48c6cb9799a,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_955f208818110e17c458234b,test
catpreddb_km_km_03bbceb4745624,catpred_iteration1_km,km,O85596,O85596,MIIGVPKEIKNHEYRVGMIPASVRELISHGHQVFVETNAGAGIGFSDDDYIAVGASILPTAAEVFAQADMIVKVKEPQAVERAMLKEGQILFTYLHLAPDFPQTEDLIKSKAVCIAYETVTDNMGRLPLLAPMSEVAGRMSIQAGAQTLEKSHGGRGLLLGGVPGVEPAKVVIVGGGVVGANAARMAVGMRADVTILDRNIDTLRKLDEEFQGRAKVVYSTEDAIEKHVLAADLVIGAVLIPGAAAPKLVTKEHIAKMKPGAAVVDVAIDQGGCFETSHATTHADPTYIVDDVVHYCVANMPGAVARTSTFALNNATLPYIVKLANKGYREALLADHGFLEGLNVIHGKVTCKEVAEAFNLEYVQPETAIAMFN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_5c4d41ee42fc307757c45309,test
catpreddb_km_km_03bd0bbf956f81,catpred_iteration1_km,km,Q46FL0,Q46FL0,MLNDKQSVENIPRILISADRSSSGKTTISMGLMAALVSRGYKVQPFKVALDYIDPSYHTEITGRFCRNLDGYLMDENGILDVYTHACEAGEKADIAIIEGVRGLYEGFESLSDLGSTAQIAKILNCPVIFVINARSITRSSAALINGYRNFDPDVEIAGVILNNIGSRRHAKKAKEAIEYYTGVPVIGIVPRDPAMQISMRHLGLMPALEGRRRLGDGGFEARLRGIEEIINKGIDVDRFMEIAKSAKALKSPENSVFSSVSDPGAPRPKIGVALDEAFNFYYRDNIDLLNLAGAEIVYFSPVKDASLPEVDGLYIGGGYPELFAAELEANESMRQDIKKASAAGMPIYAECGGLMYLTEKISTGVPGKGTYHDASMPESTYSMVGALPGHTIMGQTRVVSYNIGTLNKDCLLGKKYNSFKGHEFHHSEIREIPEDAEFAITLSRGTGIKNGMDGLISGNTLGSYAHLHGVAYREFASSLVEAARNFRDSRVLP,NC(=O)CCC(N)C(=O)O,NC(=O)CCC(N)C(=O)O,NC(=O)CCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.337242168318426,,s_46ec1531f93f949facc56420,test
catpreddb_km_km_03e74b5fe0bd77,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.017728766960432,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_03ef0537a46200,catpred_iteration1_km,km,E6ENP9,E6ENP9,MNLLTINTHSWLEEEPLKKLEEIAKVILSSESEIIALQEVNQKVASKKVPLEQLTTFCPIATQTPIHEDNFAYLIVQYLAEKGQHYYWSWEMSHIGYAIYEEGNALLSKCPLTSEALLISESQEPTNYRTRKILVAETESSKGTLTVVSGHFSWWETPCTGFAYEWLQLEKYLAMGQQPLVILGDLNNPAGTTGYQLVENSYLPIQDAFVVAEETSGEATVEKKIDGWEENEAALRIDYAFVPKQWHVRKYEVIFDGRKTPIVSDHFGLLIQLK,O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6127838567197355,,s_462c457b14feddb9cd6c3f88,test
catpreddb_km_km_03f331bdb622c2,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,O=C(O)Cc1ccccc1,O=C(O)Cc1ccccc1,O=C(O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.114638779968488,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_0412006bb41bf8,catpred_iteration1_km,km,P36269,P36269,MARGYGATVSLVLLGLGLALAVIVLAVVLSRHQAPCGPQAFAHAAVAADSKVCSDIGRAILQQQGSPVDATIAALVCTSVVNPQSMGLGGGVIFTIYNVTTGKVEVINARETVPASHAPSLLDQCAQALPLGTGAQWIGVPGELRGYAEAHRRHGRLPWAQLFQPTIALLRGGHVVAPVLSRFLHNSILRPSLQASTLRQLFFNGTEPLRPQDPLPWPALATTLETVATEGVEVFYTGRLGQMLVEDIAKEGSQLTLQDLAKFQPEVVDALEVPLGDYTLYSPPPPAGGAILSFILNVLRGFNFSTESMARPEGRVNVYHHLVETLKFAKGQRWRLGDPRSHPKLQNASRDLLGETLAQLIRQQIDGRGDHQLSHYSLAEAWGHGTGTSHVSVLGEDGSAVAATSTINTPFGAMVYSPRTGIILNNELLDLCERCPRGSGTTPSPVSGDRVGGAPGRCWPPVPGERSPSSMVPSILINKAQGSKLVIGGAGGELIISAVAQAIMSKLWLGFDLRAAIAAPILHVNSKGCVEYEPNFSQEVQRGLQDRGQNQTQRPFFLNVVQAVSQEGACVYAVSDLRKSGEAAGY,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)[C@@H](O)CCCC(=O)O,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)[C@@H](O)CCCC(=O)O,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)[C@@H](O)CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9913998282380825,,s_3e522460abccf995f0eab705,test
catpreddb_km_km_041daf3a3c1c77,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-2.603362930102398,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_04211755bbcd4e,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCCC(=O)C(=O)[O-],CCCC(=O)C(=O)[O-],CCCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_0437b0b565a785,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.1249387366082999,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_043a909311df1b,catpred_iteration1_km,km,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.767581420512853,,s_3f380f88a54b8c0bed83425a,test
catpreddb_km_km_0461620f512253,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-3.1870866433571443,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_0473241bf55ce6,catpred_iteration1_km,km,P28037,P28037,MKIAVIGQSLFGQEVYCQLRKEGHEVVGVFTIPDKDGKADPLGLEAEKDGVPVFKFPRWRARGQALPEVVAKYQALGAELNVLPFCSQFIPMEVINAPRHGSIIYHPSLLPRHRGASAINWTLIHGDKKGGFTIFWADDGLDTGDLLLQKECEVLPDDTVSTLYNRFLFPEGIKGMVQAVRLIAEGTAPRCPQSEEGATYEGIQKKETAKINWDQPAEAIHNWIRGNDKVPGAWTEACGQKLTFFNSTLNTSGLSTQGEALPIPGAHRPGVVTKAGLILFGNDDRMLLVKNIQLEDGKMMPASQFFKGSASSDLELTEAELATAEAVRSSWMRILPNVPEVEDSTDFFKSGAASVDVVRLVEEVKELCDGLELENEDVYMATTFRGFIQLLVRKLRGEDDESECVINYVEKAVNKLTLQMPYQLFIGGEFVDAEGSKTYNTINPTDGSVICQVSLAQVSDVDKAVAAAKEAFENGLWGKINARDRGRLLYRLADVMEQHQEELATIEALDAGAVYTLALKTHVGMSIQTFRYFAGWCDKIQGATIPINQARPNRNLTLTKKEPVGVCGIVIPWNYPLMMLSWKTAACLAAGNTVVIKPAQVTPLTALKFAELTLKAGIPKGVVNILPGSGSLVGQRLSDHPDVRKIGFTGSTEVGKHIMKSCALSNVKKVSLELGGKSPLIIFADCDLNKAVQMGMSSVFFNKGENCIAAGRLFVEESIHNQFVQKVVEEVEKMKIGNPLERDTNHGPQNHEAHLRKLVEYCQRGVKEGATLVCGGNQVPRPGFFFQPTVFTDVEDHMYIAKEESFGPIMIISRFADGDVDAVLSRANATEFGLASGVFTRDINKALYVSDKLQAGTVFINTYNKTDVAAPFGGFKQSGFGKDLGEAALNEYLRIKTVTFEY,Nc1nc2c(c(=O)[nH]1)NC(CN(C=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)NC(CN(C=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)NC(CN(C=O)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_e9083d4b047cf72b001f9806,test
catpreddb_km_km_0480602a00b624,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.8573324964312683,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_04869b400da051,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_049286ecb0f4a6,catpred_iteration1_km,km,Q05523,Q05523,MRRRKQNWLFWLLSICLCLTFGPFQQTVKAESAPLDIRADAAILVDAQTGRILYEKNIDTVLGIASMTKMMTEYLLLDAIKAKRVKWDQMYTPSDYVYRLSQDRALSNVPLRKDGKYTVRELYEAMAIYSANGATVAIAEIIAGSEKNFVKMMNDKAKELGLKDYKFVNATGLSNKDLKGFHPEGTSTNEENVMSARAMAMLAYRLLKDHPEVLKTASIPHKVFREGTKDEIKMDNWNWMLPGLVYGYEGVDGLKTGYTEFAGNCFTGTAKRNGVRLISVVMNAKDASGKTTKEARFKETEKLFNYGFNQYSLETLYPKGYQLKGKETLPVVKGKEKEVRVATGKNLDLLVKNGEEKQYKPVYVLDKKKMTKEGKLVAPLKKGETVGYMTLEYKGDDSLAFLSPDMQKNIRVPLVTTAEVEKANWFVLSMRAVGGLFVDLWTSVAKTVKGWL,CC(=O)NCCCCC(NC(C)=O)C(=O)NC(C)C(=O)NC(C)C(=O)O,CC(=O)NCCCCC(NC(C)=O)C(=O)NC(C)C(=O)NC(C)C(=O)O,CC(=O)NCCCCC(NC(C)=O)C(=O)NC(C)C(=O)NC(C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_be2cfda6403ed41dfd83081e,test
catpreddb_km_km_049d5a888558ff,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C\CO,CC(C)=CCC/C(C)=C\CO,CC(C)=CCC/C(C)=C\CO>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_04ac234a1e084a,catpred_iteration1_km,km,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O=C(O)/C=C(/CCC(=O)O)C(=O)O,O=C(O)/C=C(/CCC(=O)O)C(=O)O,O=C(O)/C=C(/CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_d45e89fa98a913150cf54b5f,test
catpreddb_km_km_04b4c4d99d6569,catpred_iteration1_km,km,P11954,P11954,MHITYDLPVAIEDILEAKKRLAGKIYKTGMPRSNYFSERCKGEIFLKFENMQRTGSFKIRGAFNKLSSLTEAEKRKGVVACSAGNHAQGVSLSCAMLGIDGKVVMPKGAPKSKVAATCDYSAEVVLHGDNFNDTIAKVSEIVETEGRIFIPPYDDPKVIAGQGTIGLEIMEDLYDVDNVIVPIGGGGLIAGIAIAIKSINPTIKVIGVQAENVHGMAASYYTGEITTHRTTGTLADGCDVSRPGNLTYEIVRELVDDIVLVSEDEIRNSMIALIQRNKVITEGAGALACAALLSGKLDSHIQNRKTVSIISGGNIDLSRVSQITGLVDA,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.5997250241384098,,s_95b60d49da434999477e84fd,test
catpreddb_km_km_04c0359f028f67,catpred_iteration1_km,km,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-3.468521082957745,,s_0ad9625fa36195c17c775d5c,test
catpreddb_km_km_04c700f92e80c9,catpred_iteration1_km,km,Q1M0X9,Q1M0X9,MLRYLVLASLIACSLSAVPKAKRPRLDGRIVGGRPADIADYPYQLSFEYYGSHMCGASIISPNWVVTAAHCVDGVSASSATFRAGGSIRESGGSVHQATQLIANPNYDYYTIDFDVAVARVSPAFSYGTGVQPIPLASSEPSAGQIATVSGWGTTSEGGSTLPSQLQVVSVPIVSRSECNQAYSDYGGITDDMICAAEQQGGKDACQGDSGGPLVVNGQLAGIVSWGVGCAEQGYPGVYSNVASLKGFITEQTGVN,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,0.6989700043360189,,s_372186b78485d574b1ed8d53,test
catpreddb_km_km_04ca566734b19c,catpred_iteration1_km,km,P04181,P04181,MFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTILSF,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8400389725676277,,s_58788980d9e3f8d588063d04,test
catpreddb_km_km_04cb3278758538,catpred_iteration1_km,km,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0986815409585947,,s_2caefa44f3749bcdb7479c26,test
catpreddb_km_km_04d168f4fb124e,catpred_iteration1_km,km,Q60154,Q60154,MADEIFDLIVLGAGPGGYVGAIRAAQLGMKVAVVESRPTLGGVCLNEGCIPSKALLDSSEHFALARDKFDMHGIEIPAPKLNLAKMMERKEGVVSDLTGGIAFLFKKNKVTWIKGRGKLLGAGGDGLQQVEVTGKNAGVVKGKNVLLATGGKVAQVPGITVDNDVIIDNVGALSIDKVPEHLMIIGAGYIGLELGSVWLRLGSKVTVVEMLPKMLPKTDADTTQALQRSLKKQGMTFNMGTTVGGIEVSGGKATVKLVKNDKEKEVVCDKVLMSIGRKPNTDGLGLEELGVEMGERGTIKVDDNYATNVPGIYAIGDLIPGPMLAHKASEEAVVFVERLVGKNSEVHYGTIPGVCYTWPEVASVGKTEQQLQEEGTPVKVGKFNFVGNGRARAMAETEGFVKIIAHAENGQVLGVHIFGPRASDMIAEAVAVMSYGGTAHDIGAMFHGHPTLSEAVKEAALDVDGAAVHC,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2076083105017461,,s_d02c2fdf8b0ae996ba178ff8,test
catpreddb_km_km_04d70b570ad11f,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1868708882325845,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_04df13ce72402b,catpred_iteration1_km,km,B4XY98,B4XY98,MAAGSGSGTPPGTPPPTLLTDLATGLWKTQTLTAAIETGLFEALAAGDADAPETAQRLGIGKRPAEILLTACTALGLLEQRDGRYRNTAVAAHYLVPGLPDYFGGYVQMVARYTAPGWLRATEAVRTDAPTKPVPDPDRNMFEEGNRPESFWEGLFTFSTLTARQLAASVDLSGVRRIMDVGGGAGATLIELCRQHPHLSGTVVDLPHVCALAGERIAAAGMTGRIDTAAADFFADPLPSGHDAVLLSMILHDWDESQNRKILASCLDALPSGGTVLISELLVDDDKSGPVDAALMSMNMLVGTWGRNYTGAEYTDWLRDAGCSEVRTVRFASPGANGVVAGVKA,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.214670164989233,,s_a3d4e4197a9eaac639f182b1,test
catpreddb_km_km_04f7a4143efacb,catpred_iteration1_km,km,A0A8F5GUX2,A0A8F5GUX2,MPLYVIDKPLTLHILTQLRDKNTDQINFRKNLVRLGRILGYEIANTLDYEIVEVETPLGARTKGIDITDLNNIVIINILRAAVPLVEGLLKAFPKARQGVIGASRVEVDGKEVPKDMDVYIYYKKIPDIRAKVDNVIIADPMIATASTMLKVLEEVVRANPKKIYIVSIISSEYGANKILSKYPFIYLFTVTIDPELNNKGYILPGLGDAGDRAFG,Oc1ccnc(O)n1,Oc1ccnc(O)n1,Oc1ccnc(O)n1>>,public_strict_iteration1_fulltrue_msa,,-2.566323334778673,,s_899324a4d934a098fe02b9cd,test
catpreddb_km_km_050793c95d2ee4,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.744727494896694,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_0511016c99694e,catpred_iteration1_km,km,Q09IZ4,Q09IZ4,MILRILNLVMLAILARTTFAQLQQVTNFGPNPTNVGIYAYRPSGLPANPALIVAMHYCTGTAQAYYSGTRYATLANTYKFIVIYPNAPDSGGCWDVHTNATLTHDAGGDSLGIASAIRYAINTWGVDRNRVFATGTSSGAMMTNVLAGAYPDLIKAGAAFAGVPYGCFAGPGMWNSQCAQGQLTKTAQQWGDQVRSGYPGYTGSRPKMQIWHGTRDETLNYNNFDEAIKQWTNIFGYSTTATQVQQNSPLSGWTRSTYGPNFQAISAANVPHNIPVQENDVLNWFGITGGGPTTTTTTTGPTQPPTTTTPGGPLQTQWGQCGGIGWTGPTACQPPFTCQYTNDWYSQCR,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.6334684555795865,,s_87d966b798baa57fa1902ada,test
catpreddb_km_km_05733d087a543c,catpred_iteration1_km,km,P45563,P45563,MSQVQFSHNPLFCIDIIKTYKPDFTPRVAFILGSGLGALADQIENAVAISYEKLPGFPVSTVHGHAGELVLGHLQGVPVVCMKGRGHFYEGRGMTIMTDAIRTFKLLGCELLFCTNAAGSLRPEVGAGSLVALKDHINTMPGTPMVGLNDDRFGERFFSLANAYDAEYRALLQKVAKEEGFPLTEGVFVSYPGPNFETAAEIRMMQIIGGDVVGMSVVPEVISARHCDLKVVAVSAITNMAEGLSDVKLSHAQTLAAAELSKQNFINLICGFLRKIA,OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_037cbf2fdabf9e1ffc4d806b,test
catpreddb_km_km_057f0b69025bd6,catpred_iteration1_km,km,A0A8B4RA61,A0A8B4RA61,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,CCCC=O,CCCC=O,CCCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.6675615400843947,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_km_km_05838a8781451b,catpred_iteration1_km,km,Q81WN7,Q81WN7,MIDFGTIATAMVTPFDINGNIDFAKTTKLVNYLIDNGTTAIVVGGTTGESPTLTSEEKVALYRHVVSVVDKRVPVIAGTGSNNTHASIDLTKKATEVGVDAVMLVAPYYNKPSQEGMYQHFKAIAESTPLPVMLYNVPGRSIVQISVDTVVRLSEIENIVAIKDAGGDVLTMTEIIEKTADDFAVYSGDDGLTLPAMAVGAKGIVSVASHVIGNEMQEMIAAFQAGEFKKAQKLHQLLVRVTDSLFMAPSPTPVKTALQMVGLDVGSVRLPLLPLTEEERVTLQSVMQSIPR,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1436751491863943,,s_62885fe6ef2b330e6b8415a4,test
catpreddb_km_km_05a6468d4576f0,catpred_iteration1_km,km,P23468,P23468,MVHVARLLLLLLTFFLRTDAETPPRFTRTPVDQTGVSGGVASFICQATGDPRPKIVWNKKGKKVSNQRFEVIEFDDGSGSVLRIQPLRTPRDEAIYECVASNNVGEISVSTRLTVLREDQIPRGFPTIDMGPQLKVVERTRTATMLCAASGNPDPEITWFKDFLPVDTSNNNGRIKQLRSESIGGTPIRGALQIEQSEESDQGKYECVATNSAGTRYSAPANLYVRELREVRRVPPRFSIPPTNHEIMPGGSVNITCVAVGSPMPYVKWMLGAEDLTPEDDMPIGRNVLELNDVRQSANYTCVAMSTLGVIEAIAQITVKALPKPPGTPVVTESTATSITLTWDSGNPEPVSYYIIQHKPKNSEELYKEIDGVATTRYSVAGLSPYSDYEFRVVAVNNIGRGPPSEPVLTQTSEQAPSSAPRDVQARMLSSTTILVQWKEPEEPNGQIQGYRVYYTMDPTQHVNNWMKHNVADSQITTIGNLVPQKTYSVKVLAFTSIGDANYIDGYRKQNAYIATQGSLPETFGDFWRMIWEQRSATVVMMTKLEERSRVKCDQYWPSRGTETHGLVQVTLLDTVELATYCVRTFALYKNGSSEKREVRQFQFTAWPDHGVPEHPTPFLAFLRRVKTCNPPDAGPMVVHCSAGVGRTGCFIVIDAMLERIKHEKTVDIYGHVTLMRAQRNYMVQTEDQYIFIHDALLEAVTCGNTEVPARNLYAYIQKLTQIETGENVTGMELEFKRLASSKAHTSRFISANLPCNKFKNRLVNIMPYESTRVCLQPIRGVEGSDYINASFIDGYRQQKAYIATQGPLAETTEDFWRMLWEHNSTIVVMLTKLREMGREKCHQYWPAERSARYQYFVVDPMAEYNMPQYILREFKVTDARDGQSRTVRQFQFTDWPEQGVPKSGEGFIDFIGQVHKTKEQFGQDGPISVHCSAGVGRTGVFITLSIVLERMRYEGVVDIFQTVKMLRTQRPAMVQTEDQYQFSYRAALEYLGSFDHYAT,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1938200260161128,,s_a6e64cfe8486a4d777264abc,test
catpreddb_km_km_05aa354928f165,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,COC(=O)[C@H](CCCCN)N=C(O)CN=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)CN=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)CN=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,1.2787536009528289,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_05d72fb626a7f5,catpred_iteration1_km,km,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_e8cf4514befa1a1899f825d0,test
catpreddb_km_km_05ed0623e72513,catpred_iteration1_km,km,A8Q3I7,A8Q3I7,MLQEIGAWPVWQQALTFLVGGLALIVGINVLVQVLVPRNKSLPPMVFHWVPVVGSAITYGMDPYRFFFNCREKYGDVFTFKLFGRNVTVALGPKGSNLVFNGRLTQVSAEEAYTSLTTPVFGKGVVYDVPNAVLMEQKRFVKSGLSMENFRMYVTQIESEVKDFINNDAAFLPLQKGATSVTVDIFNVFSEITILTASRTLQGKEVRESLDKTFAKLYHDLDSGFTPINFVIPNLPLPNNFRRDRAQRLMSDFYLGIIKKRREGNTEGTEHDMISALMEQSYKNGRNINDREIAHMMIALLMAGQHTSSATGSWAMLRLASRPEIIEELYEEQKRVYSDGTGGFAPLDYDIQKSSVPVLDAVIRETLRLHPPIHSIMRKVKSDMVVPPTLAAPISSKGSRDETYVIPKGHYVIAAPGVSQVDPKIWEDASRFDPHRWLGDKANVMNQTDDAQEDFGWGMVSTGANSPYLPFGAGRHRCIGEQFAYLQLGTIISTFVRAFDWRLETKLPAPDYTSMVVLPTQPANLVFTPRKNKA,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.3757179041643317,,s_f75b3d4434514f1803ffdf0f,test
catpreddb_km_km_0610da5f71b381,catpred_iteration1_km,km,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_48d0e57876a633501632a01a,test
catpreddb_km_km_06161d17281b93,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,O=c1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(CO)C(OP(=O)(O)O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.1249387366083,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_062121bb8f3162,catpred_iteration1_km,km,Q04212,Q04212,MVNEKVNPFDLASVSPLVLGGAILNQQYTDEPESIPLEDIIKYAFSHGINAIDTSPYYGPSEVLYGRALSNLRNEFPRDTYFICTKVGRIGAEEFNYSRDFVRFSVHRSCERLHTTYLDLVYLHDVEFVKFPDILEALKELRTLKNKGVIKNFGISGYPIDFITWLAEYCSTEESDIGSLDAVLSYCNLNLQNNKLLNFRERLLRNAKLKMVCNASILSMSLLRSQETRQFHPCSHELRECASQAAKYCQEQNVDLADLATRYAISEWVGKGPVVLGVSSMEELKLALDNYEIVKSNGNRLSSKDGQLVEYIQKNIFKEHFNEEWSSGIPHPEMI,CC1OC(O)C(O)C(O)C1O,CC1OC(O)C(O)C(O)C1O,CC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.1139433523068367,,s_1b480b479e86e0133ff3f910,test
catpreddb_km_km_065ef6bb920042,catpred_iteration1_km,km,O66496,O66496,MEKFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLTERGTTFGYNNLVVDFRSLPIMKQWAKVIYDATHSVQLPGGLGDKSGGMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEIREVASKYYETIPVK,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-4.100816460733017,,s_68966220519be49725459e6c,test
catpreddb_km_km_0665d83955ee51,catpred_iteration1_km,km,Q0VC74,Q0VC74,MWCHRLSHLQSRLQDLLRGRVTRWALQQSNFKSLFPLAIYWHHTASKSLNCVWQQHEDHFELQYANNVMRFDYVWLRDHCRSASCYNSKTHQRSLDTASVDLCIQPQTIHLDETTLFFTWPDGHVTRYDLDWLMKNSYEGQKQKVIQPRILWNAEIYQQAQVPAVDFQTFLETKEGLKNFLQNFLLYGIAFVENVPPTQKHTEKLAERISLIRETIYGRMWFFTSDFSRGDTAYTKLALDRHTDTTYFQEPCGIQVFHCLKHEGTGGRTLLVDGFYAAEQVLQKAPEEFELLSKVPLKHEYIENVGECQNHMIGVGPVLNIYPWNKELYLIRYNNYDRAVINTVPYDVVHRWYTAHRTLTRELRRPENEFWVKLKPGKVLFIDNWRVLHGRESFTGYRQLCGCYLTRDDVLNTARLLGLQA,O=C([O-])CCC(=O)C(=O)[O-],O=C([O-])CCC(=O)C(=O)[O-],O=C([O-])CCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.6575773191777937,,s_7f4595ed35d4ed8d48cc8426,test
catpreddb_km_km_06842b43397f0a,catpred_iteration1_km,km,A1RUM9,A1RUM9,MASLSVLGLGYVGVVHAVGFALLGHRVVGYDVNPSIVERLRAGRPHIYEPGLEEALGRALSSGRLSFAESAEEAVAATDATFIAVGTPPAPDGSADLRYVEAAARAVGRGIRAKGRWHLVVVKSTVPPGTTEGLVARAVAEEAGGVKFSVASNPEFLREGSALEDFFKPDRIVIGAGDERAASFLLDVYKAVDAPKLVMKPREAELVKYASNVFLALKISFANEVGLLAKRLGVDTYRVFEAVGLDKRIGRHYFGAGLGFGGSCFPKDTLAFIRFGESLGLEMAISKAVLRVNEYMPRYAVQLLEERLGGLRGRHVGVLGLAFKPNTDDVRESRGVEVARLLLERGARVYVHDPMAMEKARAVLGDSVTYVEDPQALLDQVEGVIIATAWPQYEGLDYRGKVVVDGRYVKKAREAKIYEGVAWA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.059626558741059,,s_6ee22696fc5ad9e04ade686c,test
catpreddb_km_km_06a67e8afad0a9,catpred_iteration1_km,km,P30235,P30235,MREKDYVVIIGSANIDVAGYSHESLNYADSNPGKIKFTPGGVGRNIAQNLALLGNKAWLLSAVGSDFYGQSLLTQTNQSGVYVDKCLIVPGENTSSYLSLLDNTGEMLVAINDMNISNAITAEYLAQHGEFIQRAKVIVADCNISEEALAWILDNAANVPVFVDPVSAWKCVKVRDRLNQIHTLKPNRLEAETLSGIALSGREDVAKVAAWFHQHGLNRLVLSMGGDGVYYSDISGESGWSAPIKTNVINVTGAGDAMMAGLASCWVDGMPFAESVRFAQGCSSMALSCEYTNNPDLSIANVISLVENAECLN,OC[C@H]1O[C@@H](c2cnc(O)nc2O)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](c2cnc(O)nc2O)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](c2cnc(O)nc2O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_7866c413ef1b3a3833a78b0d,test
catpreddb_km_km_06ad71025e7f23,catpred_iteration1_km,km,G9J616,G9J616,MIRPLSLPLPLLRCPAPARLSRPPPPPPPPTQGNCRLLRAHGRPQRHRRRPRSSSGASASLSVSGPEMDPAARKDLYPHVEPFDTGRLRVSDVHTIYYEQSGNPGGHPVVFLHGGPGAGTSPGNRRFFDPEFYRIVLFDQRGAGKSTPHACLEENTTWDLVADIEKLRQHLDIPEWQVFGGSWGSTLALAYSQTHPDKVTGIVLRGIFLLRKKELDWFYEGGAAAVFPDAWEPFRDFIPEDERNCFIAAYSKRLTSSDADVQIEAAKRWTTWEMMTAHLLQNHENIKRGEDDKFSLAFARIENHYFINKGFLDSDSHLLDNVDKIRHIKTFIVQGRYDMCCPMMSAWDLHKAWPEAEFKVVPDAGHSANEVGVAAELVSATEKLKSMLKK,C[C@H](N)C(O)=Nc1ccc2ccccc2c1,C[C@H](N)C(O)=Nc1ccc2ccccc2c1,C[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_273b19fe536463f3d0c80bc7,test
catpreddb_km_km_06c98be7e05581,catpred_iteration1_km,km,P0AEW6,P0AEW6,MKFPGKRKSKHYFPVNARDPLLQQFQPENETSAAWVVGIDQTLVDIEAKVDDEFIERYGLSAGHSLVIEDDVAEALYQELKQKNLITHQFAGGTIGNTMHNYSVLADDRSVLLGVMCSNIEIGSYAYRYLCNTSSRTDLNYLQGVDGPIGRCFTLIGESGERTFAISPGHMNQLRAESIPEDVIAGASALVLTSYLVRCKPGEPMPEATMKAIEYAKKYNVPVVLTLGTKFVIAENPQWWQQFLKDHVSILAMNEDEAEALTGESDPLLASDKALDWVDLVLCTAGPIGLYMAGFTEDEAKRKTQHPLLPGAIAEFNQYEFSRAMRHKDCQNPLRVYSHIAPYMGGPEKIMNTNGAGDGALAALLHDITANSYHRSNVPNSSKHKFTWLTYSSLAQVCKYANRVSYQVLNQHSPRLTRGLPEREDSLEESYWDR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2205857375914942,,s_bdaacbb97eeee199b78bca5e,test
catpreddb_km_km_06d8e337cb69f8,catpred_iteration1_km,km,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,NCC(O)=N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,NCC(O)=N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,NCC(O)=N[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.9956786262173567,,s_2925763e116557ae8a1c8b26,test
catpreddb_km_km_06efd89d737e40,catpred_iteration1_km,km,Q9LBS6,Q9LBS6,MLKKTKIVCTQGPSTEKPGVIDALIANGMNCARFNFSHGDHEEHLGRINMVREAAKKAGKVISLILDTKGPEMRLGEFKDGKVMLEKGNKFTLTYDDEPGDETHVSVNHKGLYTEVKPGDTLLLSDGLVALKVDEIKGKDIVTTIQNSGKMSTRKRVAAPGVPLGLPPISEQDAKDIIFGCEQDMDFVAASFIQRPDDVIAIRKLIEEHNGHMEILPKIENLEGVKNFDAILEVSDGIMVARGDLGVEVPAEDVPLIQKEIIRKCNAAGKPVIVATQMLDSMERNPRPTRAEVSDVGNAILDGTDAIMLSGETASGDYPVEAVATMNRIAQRMESSLEYKELYVERGLQHMESRTRAIAHATVQMAYELDAPAIITPTESGYTTKVVSKYRPKAAIVAYTPSEKVLRQLNLRWGVYPVLGTQWSDVDEMISNATAAAVKEDLVQRGDLTIITSGVKMESRTRAIAHATDI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_bee16503fe05e969c6159de2,test
catpreddb_km_km_071ecbc7e0c21d,catpred_iteration1_km,km,Q5FQJ0,Q5FQJ0,MASDTIRIPGIDTPLSRVALGTWAIGGWMWGGPDDDNGVRTIHAALDEGINLIDTAPVYGFGHSEEIVGRALAEKPNKAHVATKLGLHWVGEDEKNMKVFRDSRPARIRKEVEDSLRRLRVETIDLEQIHWPDDKTPIDESARELQKLHQDGKIRALGVSNFSPEQMDIFREVAPLATIQPPLNLFERTIEKDILPYAEKHNAVVLAYGALCRGLLTGKMNRDTTFPKDDLRSNDPKFQKPNFEKYLAAMDEFEKLAEKRGKSVMAFAVRWVLDQGPVIALWGARKPGQVSGVKDVFGWSLTDEEKKAVDDILARHVPNPIDPTFMAPPARD,CC(=O)C=O,CC(=O)C=O,CC(=O)C=O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_d714fe7295deac8c6432a0b6,test
catpreddb_km_km_07296c8c4b3a33,catpred_iteration1_km,km,P05064,P05064,MPHPYPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHVYLEGTLLKPNMVTPGHACTQKFSNEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYIKRALANSLACQGKYTPSGQSGAAASESLFISNHAY,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.88706002391592,,s_73e8f341fa8a086db0edf9f9,test
catpreddb_km_km_07380d2dc8a082,catpred_iteration1_km,km,J7GP93,J7GP93,MATQGQVITCKAAVAYEPNKPLVIEDVQVAPPQAGEVRIKILFTALCHTDAYTWSGKDPEGLFPCILGHEAAGIVESVGEGVTEVQPGDHVIPCYQAECRECKFCKSGKTNLCGKVRSATGVGVMMNDRKSRFSVDGKPIYHFMGTSTFSQYTVVHDVSVAKIDPKAPLEKVCLLGCGVPTGLGAVWNTAKVEPGSNVAIFGLGTVGLAVAEGAKTAGATRIIGIDIDSKKYETAKKFGVNEFVNPKDHQKPIQEVIVDLTDGGVDYSFECIGNVSVMRAALECCHKGWGTSVIVGVAASGQEISTRPFQLVTGRVWKGTAFGGFKSRTQVPWLVEKYMNKEIKVDEYITHSMTLGEINKAFDLLHDGTCLRCVLSTSD,N[C@@H](CCC(O)=N[C@@H](CSN=O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSN=O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSN=O)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_84f95f83bb86812659535cf8,test
catpreddb_km_km_075f02a5331b9e,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,N[C@@H](CCSC(F)(F)F)C(=O)O,N[C@@H](CCSC(F)(F)F)C(=O)O,N[C@@H](CCSC(F)(F)F)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0362121726544447,,s_482422f32efc21500360d70c,test
catpreddb_km_km_07779bb940d972,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_077d38d3c1823b,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,O=C[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.1674910872937636,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_0783e920f40325,catpred_iteration1_km,km,Q4JDH1,Q4JDH1,MPVIKLIDLDLKDKRVFIRADLNVPVKDGKVTSDARISASMATINHCLRQGARVMVTSHLGRPEEGVWSEENSLKPVADNIAARLGKPVRLIRDWVDGGFEVAAGELVVLENCRINKGEKKNLDETAQKYARLCDVFVMDAFGTAHRAEASTHGIAKYAPVACAGILLTEELDALTKALLNPARPMVAIVGGSKVSTKLTVLESLSEKVDQLVVGGGIANTFLKAAGNNVGKSLCENDLVPTAKMLMEKMEQRNASIPIAVDVVVGKKFDANEPAVLKDAAGVADDEMIFDIGPKSAQALADIIMQAGTVVWNGPVGVFEFDQFGAGTKAVALAIVNTKAFTLAGGGDTIAAIQKYDIYDKVSYISTAGGAFLEFLEGKKQPAVEILEQRALA,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.1492191126553798,,s_4ed9b741bae817d4fb48dcda,test
catpreddb_km_km_0798a87c759481,catpred_iteration1_km,km,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.601229465741063,,s_20763196f05a193ee16b396c,test
catpreddb_km_km_07994cf98bb40c,catpred_iteration1_km,km,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CC(=O)C(C)C(=O)[O-],CC(=O)C(C)C(=O)[O-],CC(=O)C(C)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.6020599913279625,,s_7aed539f1fd0d29a964f808a,test
catpreddb_km_km_0799d927776c27,catpred_iteration1_km,km,O29610,O29610,MQYEKVKPPENGEKIRYENGKLIVPDNPIIPYFEGDGIGKDVVPAAIRVLDAAADKIGKEVVWFQVYAGEDAYKLYGNYLPDDTLNAIKEFRVALKGPLTTPVGGGYRSLNVTIRQVLDLYANVRPVYYLKGVPSPIKHPEKVNFVIFRENTEDVYAGIEWPRGSEEALKLIRFLKNEFGVTIREDSGIGIKPISEFATKRLVRMAIRYAIENNRKSVTLVHKGNIMKYTEGAFRDWGYEVAKQEFGEYCITEDELWDKYGGKQPEGKIVVKDRIADNMFQQILTRTDEYDVIALPNLNGDYLSDAAAALIGGLGIAPGSNIGDGIGVFEPVHGSAPKYAGQNKVNPTAEILTGALMFEYIGWKDASEMIKKAVEMTISSGIVTYDIHRHMGGTKVGTREFAEAVVENLQSL,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.7825160557860935,,s_5d09c2f232622d7ffb91a1fc,test
catpreddb_km_km_079bc2f1c82ab6,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.2041199826559248,,s_27293a9716281920c2a47964,test
catpreddb_km_km_079f20a22638d1,catpred_iteration1_km,km,A0A841A5T7,A0A841A5T7,MAQERVALVTGGTRGIGAAISKRLKDKGYKVAANYGGNDEAANAFKAETGIPVFKFDVGDLASCEAGIKAIEAEVGPIDILVNNAGITRDGAFHKMTFEKWQAVIKTNLDSMFTCTRPLIEGMRSRNFGRIIIISSINGQKGQAGQTNYSAAKAGVIGFAKALAQESASKGVTVNVVAPGYIATEMVMAVPEDIRNKIISTIPTGRLGEADEIAHAVEYLASDEAGFVTGSTLTINGGQHFV,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6733937431123282,,s_a9fe2bf93c0f5cd76f176392,test
catpreddb_km_km_07b29d8eaef85f,catpred_iteration1_km,km,G5DGA8,G5DGA8,MMVKIQDSVYLVTGGGSGLGEATAKLLLTEGARVTIFSRNEYKNEFPHDQVLSVKGDVRSESDVKRALEATIQKFGKLDGVMHCAGVFQNGDELFNMDTQQPGDYTVLTDIVTTNLLGTFNVNRLAIPYFLTNQPDEEGQKGIIINCSSTSGHSPMSSAVAYSTSKAAIIGLSYALAKQLSTLGIRVMDIAPALCDTPMFRRAVGFNQDIANFRNLFPARLIQPIEYANAVKHIIETPMLNGSSYQLDGALRP,C=CC(=C)CC(O)CC(C)C,C=CC(=C)CC(O)CC(C)C,C=CC(=C)CC(O)CC(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_be1fd4afe3a92494c2d08c64,test
catpreddb_km_km_07b63f1b1bc5e5,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,Nc1ccccc1C(O)=NCC(=O)O,Nc1ccccc1C(O)=NCC(=O)O,Nc1ccccc1C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_07bc9d8a0b1c3f,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_07c0fb81d58297,catpred_iteration1_km,km,P52430,P52430,MAKLLALTLVGLVLALYKNHRSSYQTRLNAFREVTPVELPNCNLVKGIETGAEDLEILPNGLTFFSTGLKYPGIKSFDPSKPGKILLMDLNKKEPAVSELEIIGNTLDISSFNPHGISTFTDEDNTVYLLVVNHPDSSSTVEVFKFQEEERSLLHLKTITHELLPSINDIAAIGPESFYATNDHYFADPYLRSWEMYLGLSWSNVVYYSPDKVQVVAEGFDFANGIGISLDGKYVYIAELLAHKIHVYEKHANWTLTPLKVLNFDTLVDNISVDPVTGDLWVGCHPNGMRIFFYDAENPPGSEVLRIQNILSEDPKITVVYAENGTVLQGTTVASVYKGKLLIGTVFHKALYCDL,CC(=O)Oc1ccccc1,CC(=O)Oc1ccccc1,CC(=O)Oc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.2753379534506366,,s_13105673c7292c4622b6579b,test
catpreddb_km_km_07d7bbc496df3e,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_07d99671b4b2ca,catpred_iteration1_km,km,A0A385MQ73,A0A385MQ73,MTNLAPLTWQDCVQPDWQVSPRVRALITTRDGGVSEGPYGRWQGAEALPGGMNLGLHTGDDPAHVAGNRARLLALAGQSSAAWLEQVHGAQIVRADEVIAAAPAALAPVQADASVTDRAGAVCVVMVADCLPVLLCDTQGRAVGAAHAGWRGLAAGIVEQTAARVAALAGGATDALHAYLGPATGPRAFEVGADVRDAFLDTAPQSEHDETRLAFVAIDGAPGKFLADLYALARLRLARAGVAHVSGGTACTVTEQARFYSYRRDRVTGRMAAAIWLAG,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.8057632512761708,,s_948ccaa461e967d2a5ceae33,test
catpreddb_km_km_07df7f79a25c38,catpred_iteration1_km,km,Q9FFW8,Q9FFW8,MASQLLLPPNQFTKSVSPQVFITGDCQGFSDLTLKRKSNQATRVSNGSSLRVKAALRSTHNKSVVEIPKQWYNLVADLSVKPPPPLHPKTFEPIKPEDLAHLFPNELIKQEATQERFIDIPEEVLEIYKLWRPTPLIRAKRLEKLLQTPARIYFKYEGGSPAGSHKPNTAVPQAYYNAKEGVKNVVTETGAGQWGSSLAFASSLFGLDCEVWQVANSYHTKPYRRLMMQTWGAKVHPSPSDLTEAGRRILESDPSSPGSLGIAISEAVEVAARNEDTKYCLGSVLNHVLLHQTIIGEECIQQMENFGETPDLIIGCTGGGSNFAGLSFPFIREKLKGKINPVIRAVEPSACPSLTKGVYAYDFGDTAGLTPLMKMHTLGHDFIPDPIHAGGLRYHGMAPLISHVYEQGFMEAISIPQIECFQGAIQFARTEGIIPAPEPTHAIAATIREALRCKETGEAKVILMAMCGHGHFDLTSYDKYLKGELVDLSFSEEKIRESLSKVPHVV,c1ccc2[nH]ccc2c1,c1ccc2[nH]ccc2c1,c1ccc2[nH]ccc2c1>>,public_strict_iteration1_fulltrue_msa,,-4.130768280269024,,s_5db30c1dff94edd52723058e,test
catpreddb_km_km_07e75274d1e7d8,catpred_iteration1_km,km,P44514,P44514,MKEKVVSLAQDLIRRPSISPNDEGCQQIIAERLEKLGFQIEWMPFNDTLNLWAKHGTSEPVIAFAGHTDVVPTGDENQWSSPPFSAEIIDGMLYGRGAADMKGSLAAMIVAAEEYVKANPNHKGTIALLITSDEEATAKDGTIHVVETLMARDEKITYCMVGEPSSAKNLGDVVKNGRRGSITGNLYIQGIQGHVAYPHLAENPIHKAALFLQELTTYQWDKGNEFFPPTSLQIANIHAGTGSNNVIPAELYIQFNLRYCTEVTDEIIKQKVAEMLEKHNLKYRIEWNLSGKPFLTKPGKLLDSITSAIEETIGITPKAETGGGTSDGRFIALMGAEVVEFGPLNSTIHKVNECVSVEDLGKCGEIYHKMLVNLLDS,NC(CCCC(NC(=O)CCC(=O)O)C(=O)O)C(=O)O,NC(CCCC(NC(=O)CCC(=O)O)C(=O)O)C(=O)O,NC(CCCC(NC(=O)CCC(=O)O)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1590316674813807,,s_b07f4d5a82f88e0062e88c59,test
catpreddb_km_km_07ea1933652396,catpred_iteration1_km,km,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.7342605414788723,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_km_km_07f97fc51ddd1d,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)C=CC1=O,CC1=CC(=O)C=CC1=O,CC1=CC(=O)C=CC1=O>>,public_strict_iteration1_fulltrue_msa,,-2.3767507096021,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_080097323a6d80,catpred_iteration1_km,km,P05342,P05342,MASVIIDDTTLRDGEQSAGVAFNADEKIAIARALAELGVPELEIGIPSMGEEEREVMHAIAGLGLSSRLLAWCRLCDVDLAAARSTGVTMVDLSLPVSDLMLHHKLNRDRDWALREVARLVGEARMAGLEVCLGCEDASRADLEFVVQVGEVAQAAGARRLRFADTVGVMEPFGMLDRFRFLSRRLDMELEVHAHDDFGLATANTLAAVMGGATHINTTVNGLGERAGNAALEECVLALKNLHGIDTGIDTRGIPAISALVERASGRQVAWQKSVVGAGVFTHEAGIHVDGLLKHRRNYEGLNPDELGRSHSLVLGKHSGAHMVRNTYRDLGIELADWQSQALLGRIRAFSTRTKRRSPQPAELQDFYRQLCEQGNPELAAGGMA,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_6e4b7284fdb6b6c84f56dd03,test
catpreddb_km_km_081938b70f04f6,catpred_iteration1_km,km,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,CCc1cc(C(=N)S)ccn1,CCc1cc(C(=N)S)ccn1,CCc1cc(C(=N)S)ccn1>>,public_strict_iteration1_fulltrue_msa,,-0.9788107009300618,,s_709e219952fa967255321ee7,test
catpreddb_km_km_0830ae31c99714,catpred_iteration1_km,km,Q6M996,Q6M996,MPSAESTPRTLYDKVFQAHIVDEKLDGTILLYIDRHLVHEVTSPQAFEGLENAGRQVRRPDCTLATTDHNVPTTSRKALKDIASFIKEDDSRTQCVTLEENVKKFGITYFGLSDKRQGIVHVIGPEQGFTLPGTTVVCGDSHTSTHGAFGALAFGIGTSEVEHVLATQCLITKRSKNMRVQVDGELAPGVSSKDVILHVIGQIGTAGGTGAVIEFCGSVIRSLSMEARMSICNMSIEAGARAGMVAPDEITFEYLKGRPLAPRYGSEEWNKAVTYWKSLASDPDAKYDIDVFIDGKDIIPTVTWGTSPEDVVPITGVVPDPETFATEGKKAAGRRMIEYMGLVPGTPMEDIEVDKVFIGSCTNSRIEDLRAAAQVVKGKKIAANIKRALIVPGSGLVKDQAEAEGLDKIFQEAGFEWREAGCSMCLGMNPDILSPKERCASTSNRNFEGRQGAQGRTHLMSPVMAAAAAIVGKLADVRKLTDYKSSPHVEAAVIPETTSTAKAHTDERIEEDDVEKDKLADQPQDSSPQVNTSVSKSSAGLPKFTNLKGIAAPMEKANIDTDAIIPKQFLKTIKRTGLGSALFYEMRYNPDGSENPNFVLNREPYRSAKIIVCTGANFGCGSSREHAPWALNDFGVKSVIAPSFADIFFNNSFKNGMLPIAIKDQAALERVHAEAAAGREIEIDLPNQLIKDADGNTLCEFEVEEFRKHCLVNGLDDIGLTMQMEDKIAEYEAKMSQQTPWLDGRAYLKRKGQGGKLVAKAVPVPKTNRGEEKKEPLEW,COC(=O)C=C(C)C(=O)OC,COC(=O)C=C(C)C(=O)OC,COC(=O)C=C(C)C(=O)OC>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_3253321b5e86d1f4e5424852,test
catpreddb_km_km_083183f989eaba,catpred_iteration1_km,km,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_577e1452403bbeb8c4453dd0,test
catpreddb_km_km_08532044a01110,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4867823999320609,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_0867b2240b7a32,catpred_iteration1_km,km,A0A4E0RL35,A0A4E0RL35,MDQRRFERRSTMMIPGMEGKYVARGQFEGKSIAVFTSGGDAQGMNAAVRAVVRMGIYCGCRVYFIKEGYQGLVDGEQSIVEAGWADVSSMIQRKRAFRTYRPSPHPFTHHFLSFKTERIRPEQAAMCSHLNIVGLVGSIDNDFCGTDMTIGADSALHRIIEATDAITTTALSHQRCFILEVMGRHCGYLALVASMACEADWVFIPELPPADDWREKLCKKLRRDREAGQRLSIIMVAEGAIDRQCRPISCEEIRKLIVSELGFDTRITVLGHVQRGGRPSAFDRILGSRMGAEAVLALMDADRNRDLPACVISLDGNQAVRVPLVRCVEKTRMVGEALKARQFDRAVELRGTSFMGNLWTYLKLSKIERPRNSEAEHNMRVGVMNVGAPSCGVNAVIRSFARLGITKGYSIMGIHEGFHGLVNDDLSRIDWQDVRGWVSMGGSTLGTRRDKPSELGLNLVASKFRQHQLCGLLVVGGFEAYECMIELAENRDKYPEFCIPMVMVPATISNNVPGSDFSLGADTALNEITTILDKIKQSAMGTKRRVFVVETMGGYCGYLATMSGLAGGADAAYIYEEPFTIDDLRQDVVHLRAKIADNVQRGLVLRAEFASKNYTTQFIHQLYAEEGKGIFDCRYNVLGHMQQGNEPSPFDRNLGTKFGSKAIDWLHEQINLGLRPDGSVYCPDSASCTLLGVIRQNSTFSEVLKLRENTDFKHRLPREEWWLNLRPLMRIMAKHDSLYESESIFTGPEKTLH,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.7588206013910814,,s_b37b77f90b490791bf912242,test
catpreddb_km_km_086e2ce559edb9,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CC(=O)CC(=O)O,CC(=O)CC(=O)O,CC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7387805584843692,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_088351486a78fa,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NCCCC[C@H](N)C(=O)O,N=C(N)NCCCC[C@H](N)C(=O)O,N=C(N)NCCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8573324964312685,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_088cb978ff9168,catpred_iteration1_km,km,O15769,O15769,MRTSATLQFKVAVLGAAGGIGQPLSLILKTNPLVSHLSCYDIHGVTGVAADLSHICSPAKVTGHLKDELHKAVDGADVVIIPAGTPRKPGMTREDLFSVNATIVRDLVSACAKQCPKALIGVVSNPVNSVVPIASEVLKKAGVFDPARLFGITTLDVVRARTFVAEAAGKSPYDVNVQVVGGHSGPTIIPLLSQAGVSLTEEQVKAITHRVQYGGDEVVKAKGGAGSATLSMAYAAGEWMSSVLKGLRGDKGIVECTYVQTDIIPGVNFFGCPVELGKGGVEKIHKPVFDAYEQSLLEKCVADLEKNIAAGFAFGSRQ,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4925298251035315,,s_0b8c8ce9ee94a7781b0d33c5,test
catpreddb_km_km_08a5bb8d0e62a1,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.3767507096021,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_08c041c5701da9,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12>>,public_strict_iteration1_fulltrue_msa,,-2.8585077799330225,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_08cd3da4e1a45b,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.6020599913279625,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_0905105bbb1c81,catpred_iteration1_km,km,Q6PQJ9,Q6PQJ9,MSWWWAGAIGAAKKRLEEDDAQPKHSSVALIVGVTGIIGNSLAEILPLADTPGGPWKVYGVARRTRPAWHEDNPINYVQCDISDPDDSQAKLSPLTDVTHVFYVTWANRSTEQENCEANSKMFRNVLDAVIPNCPNLKHISLQTGRKHYMGPFESYGKIESHDPPYTEDLPRLKYMNFYYDLEDIMLEEVEKKEGLTWSVHRPGNIFGFSPYSMMNLVGTLCVYAAICKHEGKVLRFTGCKAAWDGYSDCSDADLIAEHHIWAAVDPYAKNEAFNVSNGDVFKWKHFWKVLAEQFGVGCGEYEEGVDLKLQDLMKGKEPVWEEIVRENGLTPTKLKDVGIWWFGDVILGNECFLDSMNKSKEHGFLGFRNSKNAFISWIDKAKAYKIVP,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_3025df5d8606abb888287682,test
catpreddb_km_km_09192a45547a9a,catpred_iteration1_km,km,P60472,P60472,MMLSATQPLSEKLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRERRFGGTEPGDETA,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.852613944590956,,s_6db7608dd527a3a642114dbe,test
catpreddb_km_km_091af792669445,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CC(C)CC=O,CC(C)CC=O,CC(C)CC=O>>,public_strict_iteration1_fulltrue_msa,,0.4670389046562566,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_0965ef852115e8,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.099189821184825,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_098bccaddc32ba,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cccc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.494850021680094,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_099e2cec4b2593,catpred_iteration1_km,km,P36537,P36537,MALKWTTVLLIQLSFYFSSGSCGKVLVWAAEYSLWMNMKTILKELVQRGHEVTVLASSASILFDPNDSSTLKLEVYPTSLTKTEFENIIMQLVKRLSEIQKDTFWLPFSQEQEILWAINDIIRNFCKDVVSNKKLMKKLQESRFDIVFADAYLPCGELLAELFNIPFVYSHSFSPGYSFERHSGGFIFPPSYVPVVMSKLSDQMTFMERVKNMLYVLYFDFWFQIFNMKKWDQFYSEVLGRPTTLSETMRKADIWLMRNSWNFKFPHPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGVVVFSLGSMVSNMTEERANVIATALAKIPQKVLWRFDGNKPDALGLNTRLYKWIPQNDLLGHPKTRAFITHGGANGIYEAIYHGIPMVGIPLFFDQPDNIAHMKAKGAAVRVDFNTMSSTDLLNALKTVINDPSYKENIMKLSRIQHDQPVKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWFQYHSLDVIGFLLACVATVLFIITKCCLFCFWKFARKGKKGKRD,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,1.5449357658815026,,s_3f4ea30f4bd9035b5a50f6df,test
catpreddb_km_km_09a31e37c3bb34,catpred_iteration1_km,km,Q9H7Z6,Q9H7Z6,MAAQGAAAAVAAGTSGVAGEGEPGPGENAAAEGTAPSPGRVSPPTPARGEPEVTVEIGETYLCRRPDSTWHSAEVIQSRVNDQEGREEFYVHYVGFNRRLDEWVDKNRLALTKTVKDAVQKNSEKYLSELAEQPERKITRNQKRKHDEINHVQKTYAEMDPTTAALEKEHEAITKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVYEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVACILTLPPYQRRGYGKFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLEILRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPKHKQVKLSKK,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.755724641749778,,s_bafa131bae884dd186fafd66,test
catpreddb_km_km_09afec68502f04,catpred_iteration1_km,km,Q9NQR4,Q9NQR4,MTSFRLALIQLQISSIKSDNVTRACSFIREAATQGAKIVSLPECFNSPYGAKYFPEYAEKIPGESTQKLSEVAKECSIYLIGGSIPEEDAGKLYNTCAVFGPDGTLLAKYRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCRVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRSRAVDNQVYVATASPARDDKASYVAWGHSTVVNPWGEVLAKAGTEEAIVYSDIDLKKLAEIRQQIPVFRQKRSDLYAVEMKKP,N=C([O-])CCC(=O)C(=O)O,N=C([O-])CCC(=O)C(=O)O,N=C([O-])CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7156818820794937,,s_693ea6e2e77a913018f95b7f,test
catpreddb_km_km_09b94fc97e74be,catpred_iteration1_km,km,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_10643db1da4d21bc18567292,test
catpreddb_km_km_09c0b5f2717943,catpred_iteration1_km,km,P05081,P05081,MSTEKLKHHKIIFVVGGPGSGKGTQCEKIVHKYGYTHLSTGDLLRAEVSSGSERGKKLQAIMEKGELVPLDTVLDMLRDAMLAKADTSKGFLIDGYPREVKQGEEFEKKIAPPTLLLYVDAGKETMVKRLLKRGETSGRVDDNEETIKKRLETYYKATEPVIAFYKGRGIVRQLNAEGTVDEVFQQVCSYLDKL,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,0.3222192947339193,,s_1b1b94efc772c15ef15d3f0e,test
catpreddb_km_km_09e05bdad1eeaa,catpred_iteration1_km,km,Q54VI3,Q54VI3,MLNQNLTISQEIAAQPKTQYFTKEDGDALANLLESNPYKEQAVEVKSLLKSERLIESSRVEPEVDWFYCKLGLDSNYFDSTPSIVIARHILSLYAAKMVSHATGAKLEVHLHSKNEGSATFITPSNPGKRDSPAMMIEHAIESHYFGEGYHQDQQLLSPQQVAVAPFPVSPKPPTGTNLPPHGFRLACYRTTGTVSNSSPVHLRLYYLTKPVFPQATNDLSASKNDEILATETDLFKIGDISFIEKSSELTKKIYQEVMNEVVGKQGPVIKHYPYQTNGARLVIAYRRGSTHSYWSAIGELYHFHQMYATHKYVEQFSNGITIYSIYLRPLHPDVDINTKISKIAEQASLVYVLPRTSLTPLFLSHQLSFPEVTYAYVCWKFAYQFLNRYATEYSALAAAIGDDSTKQSMLAQLKTRLSKDTFTEGRVRDAVLQYPELIKILYQDFEKFHFSGSNSNNTQKYDVQHGSEILASIKKTVNNELDSQIFSAILSFNRHLLKTHIRFRDISRGGIRIIRSGNSTQYDHNSSSLFDENYNLANTQQSKNKDIAEGGSKGTILLSADHQSKAEVAFHKYIDGLLDLLLPNHEIVDHFAKPEILFLGPDEGTADFMNWASSHAKDRGAHFWKAFTTGKSLSRGGIPHDLYGMTTRSIHQYVLGTLAKLGRNEADCTKFQTGGPDGDLGSNEIKISKDKTIGIVDGSGVLLDPQGLNRDEIGRLASKRQMARYFDKSKLSPQGFFVDVAENDVKLPNGDIVESGLIFRNNFHLNPLCNADIFVPCGGRPESVQLTNVDKMFTATGESRFPIIVEGANLFFTQKARLMIEEKGAIIFKDASANKGGVTSSSLEVLAALALNDEEFDRHMCVKDNVVPEFYENYIKDVHHTIESNARLEFECIWSEHESTKTPRSILSDLLSNKINSLNDSIQTSSLWTDQSLRRKIISAACPKVLLNLLGVDKIMERVPEPYVKAIFGSYLASRFVYKYGLNSNEFAFYTYMETLKQQ,[NH4+],[NH4+],[NH4+]>>,public_strict_iteration1_fulltrue_msa,,1.3830874061561516,,s_519922da8a366161013bc2c9,test
catpreddb_km_km_0a09a3634e4491,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CCCC(=O)C(=O)[O-],CCCC(=O)C(=O)[O-],CCCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.0374264979406236,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_0a211b7a59a18e,catpred_iteration1_km,km,A1B196,A1B196,MARKSSAPQFLSYGDATGRLSWRDAVEALRQGHTLPQAQIRDVFLGPPTGTMMSRSAWIEGLGYGAKTFTVFDGNAARGLPTVQGAMLVFDKDDGRLQAIVDSPLVTEFKTAADSVLGASLLARPDSRHLLIVGAGTVAASLVRAYTAVLPGIERVSVWARRPQQAQDLIEGLDGIEADLAAVSDLPAAVGQADIVSSATMARQPVILGAWVRPGTHVDLIGAFKADMREADDALMARAALFVDSRETTLGHIGELMLPIASGAITAESVLGDLYDLVRPGARRRQSEDEITVFKNGGGAHLDLMIASYIARVMAG,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1>>,public_strict_iteration1_fulltrue_msa,,0.8477408382450987,,s_bad2e779b0d6f8d3cd092635,test
catpreddb_km_km_0a2c090be6873f,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_0a4172ce08db1a,catpred_iteration1_km,km,O15769,O15769,MRTSATLQFKVAVLGAAGGIGQPLSLILKTNPLVSHLSCYDIHGVTGVAADLSHICSPAKVTGHLKDELHKAVDGADVVIIPAGTPRKPGMTREDLFSVNATIVRDLVSACAKQCPKALIGVVSNPVNSVVPIASEVLKKAGVFDPARLFGITTLDVVRARTFVAEAAGKSPYDVNVQVVGGHSGPTIIPLLSQAGVSLTEEQVKAITHRVQYGGDEVVKAKGGAGSATLSMAYAAGEWMSSVLKGLRGDKGIVECTYVQTDIIPGVNFFGCPVELGKGGVEKIHKPVFDAYEQSLLEKCVADLEKNIAAGFAFGSRQ,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_0b8c8ce9ee94a7781b0d33c5,test
catpreddb_km_km_0a549afe2fed07,catpred_iteration1_km,km,O04876,O04876,MECENAHVAANGDGLCVAQPARADPLNWGKAAEELSGSHLDAVKRMVEEYRKPVVTMEGASLTIAMVAAVAAGNDTRVELDESARGRVKESSDWVMNSMMNGTDSYGVTTGFGATSHRRTKEGGALQRELIRFLNAGAFGTGTDGHVLPAATTRAAMLVRVNTLLQGYSGIRFEILETIATLLNANVTPCLPLRGTITASGDLVPLSYIAGLVTGRPNSVATAPDGTKVNAAEAFKIAGIQHGFFELQPKEGLAMVNGTAVGSGLASMVLFEANVLSLLAEVLSAVFCEVMNGKPEYTDHLTHKLKHHPGQIEAAAIMEHILEGSSYMMLAKKLGELDPLMKPKQDRYALRTSPQWLGPQIEVIRAATKSIEREINSVNDNPLIDVSRGKAIHGGNFQGTPIGVSMDNTRLAIAAIGKLMFAQFSELVNDFYNNGLPSNLSGGRNPSLDYGFKGAEIAMASYCSELQFLGNPVTNHVQSAEQHNQDVNSLGLISSRKTAEAIDILKLMSSTFLVALCQAIDLRHLEENVKNAVKSCVKTVARKTLSTDS,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_c5dafc2dddd2ca7ac78eb367,test
catpreddb_km_km_0a6080588f5e67,catpred_iteration1_km,km,Q54116,Q54116,MRVLVTGGAGFIGSHYVRQLLGGAYPAFAGADVVVLDKLTYAGNEENLRPVADDPRFRFVRGDICEWDVVSEVMREVDVVVHFAAETHVDRSILGASDFVVTNVVGTNTLLQGALAANVSKFVHVSTDEVYGTIEHGSWPEDHLLEPNSPYSAAKAGSDLIARAYHRTHGLPVCITRCSNNYGPYQFPEKVLPLFITNLMDGRRVPLYGDGLNVRDWLHVTDHCRGIQLVAESGRAGEIYNIGGGTELTNKELTERVLELMGQDWSMVQPVTDRKGHDRRYSVDHTKISEELGYEPVVPFERGLAETIEWYRDNRAWWEPLKSAPDGGK,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_213bbd42cf1cb8794df441b4,test
catpreddb_km_km_0a667de978a569,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_0a6d95a54488c5,catpred_iteration1_km,km,Q6XZ78,Q6XZ78,MAPLGDGGAAAAAASNNLVVSFGEMLIDFVPDVAGLSLAESGGFVKAPGGAPANVACAIAKLGGSSAFVGKFGDDEFGHMLVNILKQNNVNAEGCLFDKHARTALAFVTLKHDGEREFMFYRNPSADMLLTEAELDLGLVRRARVFHYGSISLISEPCRSAHMAAMRAAKAAGVLCSYDPNVRLPLWPSPDAAREGILSIWKEADFIKVSDDEVAFLTRGDANDEKNVLSLWFDGLKLLVVTDGDKGCRYFTKDFKGSVPGFKVDTVDTTGAGDAFVGSLLVNVAKDDSIFHNEEKLREALKFSNACGAICTTKKGAIPALPTVATAQDLIAKAN,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9625735020593764,,s_636d56adb3089dc7f190aa93,test
catpreddb_km_km_0a804417f93e4c,catpred_iteration1_km,km,A0A2R4D3F6,A0A2R4D3F6,MKIVKRALTFEDVLLRPGYSEVLPKEVKIHTKLTKNITLNMPLISAAMDTVTEHRAAIMMARLGGLGVIHKNMDIASQVREVKRVKKSESGVIIDPIFVSPKASVAEALEIMAEYRISGVPVVDEDKKLIGILTNRDLRFESDFSNLVENVMTKMPLITAPKGCTLDDAEKIFSTNKVEKLPIVDEQGRLEGLITIKDLKKRKEYPDANKDNFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDTVKAIKAKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIVSGVGVPQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMIGSLLAGTDESPGELFTYQGRQYKSYRGMGSLGAMQKGSSDRYFQQGTAQDKLVPEGIEGRVPYVGSIRSVVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHDVTITHEAPNYKVNHQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1804560644581312,,s_2eae60347821db364a717eae,test
catpreddb_km_km_0a816e589bcc2b,catpred_iteration1_km,km,F4K884,F4K884,MEILPIPAESFKVGFIGAGKMAESIARGVVASGVLPPNRICTAVHSNLNRRDVFESFGVNVFSTSEEVVKESDVVIFSVKPQVVKKAVTELKSKLSKNKILVSVAAGIKLNDLQEWSGQDRFIRVMPNTPAAVGEAASVMSLGTGATEEDGAIVAMLFGAVGKILKADEKMFDAVTGLSGSGPAYIFLAIEALADGGVAAGLPRELALSLASQTVSSWSCNDG,O=C(O)C1CCC=N1,O=C(O)C1CCC=N1,O=C(O)C1CCC=N1>>,public_strict_iteration1_fulltrue_msa,,-0.5281538364469917,,s_dccddde99b377b3d9911cbaa,test
catpreddb_km_km_0a8befa8153aa3,catpred_iteration1_km,km,O67636,O67636,MAILSSMFNPSPPQGFCKKNIIKILKSLSMQNVLIVGVGFMGGSFAKSLRRSGFKGKIYGYDINPESISKAVDLGIIDEGTTSIAKVEDFSPDFVMLSSPVRTFREIAKKLSYILSEDATVTDQGSVKGKLVYDLENILGKRFVGGHPIAGTEKSGVEYSLDNLYEGKKVILTPTKKTDKKRLKLVKRVWEDVGGVVEYMSPELHDYVFGVVSHLPHAVAFALVDTLIHMSTPEVDLFKYPGGGFKDFTRIAKSDPIMWRDIFLENKENVMKAIEGFEKSLNHLKELIVREAEEELVEYLKEVKIKRMEID,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-0.869666231504994,,s_bc9221c35c7214224092dbad,test
catpreddb_km_km_0ac1c391b6b146,catpred_iteration1_km,km,Q09KQ6,Q09KQ6,MPDAVVFSPGGYRYIPAVFQYSAGIAAEPGFEIERVRFHRPVPLAEAFVAVESHLRAIGRPTTSFAQCELRSPDPFNDQGFIDFNTEYVKTLERWGIYKDRVNPVARTNVCPMYDKPTTPSMFAFSYTVPTTSAAKRPSFQLAGGGDARGGSAPYKDRIVAFGDTSPEGLREKVVFVIEEMESRLKTLGLGWADAVSTQLYTVQNIGHLVGPELARRGCGAGGLVWNYTRPPVIGLEYEMDVRGAVRETVL,N/C(=C/C=C(/Cl)C(=O)O)C(=O)O,N/C(=C/C=C(/Cl)C(=O)O)C(=O)O,N/C(=C/C=C(/Cl)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.055517327849832,,s_9d1d6087558b687c32deb7f7,test
catpreddb_km_km_0ac6ff09c9a3cb,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.0655309108335443,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_0aca9f1d68680b,catpred_iteration1_km,km,P05081,P05081,MSTEKLKHHKIIFVVGGPGSGKGTQCEKIVHKYGYTHLSTGDLLRAEVSSGSERGKKLQAIMEKGELVPLDTVLDMLRDAMLAKADTSKGFLIDGYPREVKQGEEFEKKIAPPTLLLYVDAGKETMVKRLLKRGETSGRVDDNEETIKKRLETYYKATEPVIAFYKGRGIVRQLNAEGTVDEVFQQVCSYLDKL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_1b1b94efc772c15ef15d3f0e,test
catpreddb_km_km_0acee5b4988fdc,catpred_iteration1_km,km,Q13572,Q13572,MQTFLKGKRVGYWLSEKKIKKLNFQAFAELCRKRGMEVVQLNLSRPIEEQGPLDVIIHKLTDVILEADQNDSQSLELVHRFQEYIDAHPETIVLDPLPAIRTLLDRSKSYELIRKIEAYMEDDRICSPPFMELTSLCGDDTMRLLEKNGLTFPFICKTRVAHGTNSHEMAIVFNQEGLNAIQPPCVVQNFINHNAVLYKVFVVGESYTVVQRPSLKNFSAGTSDRESIFFNSHNVSKPESSSVLTELDKIEGVFERPSDEVIRELSRALRQALGVSLFGIDIIINNQTGQHAVIDINAFPGYEGVSEFFTDLLNHIATVLQGQSTAMAATGDVALLRHSKLLAEPAGGLVGERTCSASPGCCGSMMGQDAPWKAEADAGGTAKLPHQRLGCNAGVSPSFQQHCVASLATKASSQ,O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O,O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O,O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-3.6989700043360174,,s_d09cb30f5f82458f11cec8b0,test
catpreddb_km_km_0b0b990257f43b,catpred_iteration1_km,km,P9WQ75,P9WQ75,MTSGSLQFTVLRAVNPATDAQRESMLREPGFGKYHTDHMVSIDYAEGRGWHNARVIPYGPIELDPSAIVLHYAQEVFEGLKAYRWADGSIVSFRADANAARLRSSARRLAIPELPDAVFIESLRQLIAVDKAWVPGAGGEEALYLRPFIFATEPGLGVRPATQYRYLLIASPAGAYFKGGIAPVSVWVSTEYVRACPGGTGAAKFGGNYAASLLAQAEAAENGCDQVVWLDAVERRYIEEMGGMNIFFVLGSGGSARLVTPELSGSLLPGITRDSLLQLAIDAGFAVEERRIDIDEWQKKAAAGEITEVFACGTAAVITPVARVRHGASEFRIADGQPGEVTMALRDTLTGIQRGTFADTHGWMARLG,CC(C)C[C@H](N)C(=O)O,CC(C)C[C@H](N)C(=O)O,CC(C)C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7795964912578245,,s_9bc1fb49bb703ad3f42a9a38,test
catpreddb_km_km_0b0eb2d9215dee,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_0b2cc219ab4e2b,catpred_iteration1_km,km,Q8BGN3,Q8BGN3,MAAKLWTFLLGFGLSWVWPASAHRKLLVLLLDGFRSDYISEDALASLPGFREIVNRGVKVDYLTPDFPSLSYPNYYTLMTGRHCEVHQMIGNYMWDPRTNKSFDIGVNRDSLMPLWWNGSEPLWITLMKARRKVYMYYWPGCEVEILGVRPTYCLEYKTVPTDINFANAVSDALDSLKSGRADLAAIYHERIDVEGHHYGPSSPQRKDALRAVDTVLKYMIQWIQDRGLQQDLNVILFSDHGMTDIFWMDKVIELSNYISLDDLQQVKDRGPVVSLWPVPGKHSEIYHKLRTVEHMTVYEKESIPNRFYYKKGKFVSPLTLVADEGWFIAESREMLPFWMNSTGKREGWQRGWHGYDNELMDMRGIFLAIGPDFKSNFRAAPIRSVDVYNIMCHVAGITPLPNNGSWSRVVCMLKGQTSSAPPTPLNSCALVLILLLYFV,C[N+](C)(C)CCOP(=O)(O)OC[C@H](O)CO,C[N+](C)(C)CCOP(=O)(O)OC[C@H](O)CO,C[N+](C)(C)CCOP(=O)(O)OC[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_077d7e9b048d5875ad4b60d1,test
catpreddb_km_km_0b2e079633ed71,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7614393726401688,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_0b374daf72d1d2,catpred_iteration1_km,km,A0A068EFN3,A0A068EFN3,MKALVLSGGSGTRLRPFSYSMPKQLIPIANKPVLEHVLENVKELGVTEIGVVVGGRLSQIQTVFGDGSDLGVRITYIEQEAPLGLAHCVSLARPFLADDDFVMYLGDNMLPEGVKPIAEEFTADRPDAQVVVHKVADPRAFGVAELDAEGGVERLVEKPQQPRSDLALIGVYFFTSAIHEAVAAIEPSARGELEITDAIQWLVTHGRDVRASVYDGYWKDTGRVDDVLECNRELLDGLRPSVDGEVDAVSTLIGRVVVERGARVIGSRIEGPAIIGAGTVVTDSRIGPYTSIGKDCVLTDTDIEYSIALDGATVSEVRGLRSSIIGRFASVGPAGQDTPHHRLVVGDHTRVEVAA,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_544aa87a3b783c281f587714,test
catpreddb_km_km_0b4a79c33cc964,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CCCCc1ccccc1,O=C(O)CN=C(O)CCCCc1ccccc1,O=C(O)CN=C(O)CCCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_0b506d9cb9ed06,catpred_iteration1_km,km,P53204,P53204,MDPTKAPDFKPPQPNEELQPPPDPTHTIPKSGPIVPYVLADYNSSIDAPFNLDIYKTLSSRKKNANSSNRMDHIPLNTSDFQPLSRDVSSEEESEGQSNGIDATLQDVTMTGNLGVLKSQIADLEEVPHTIVRQARTIEDYEFPVHRLTKKLQDPEKLPLIIVACGSFSPITYLHLRMFEMALDDINEQTRFEVVGGYFSPVSDNYQKRGLAPAYHRVRMCELACERTSSWLMVDAWESLQSSYTRTAKVLDHFNHEINIKRGGIMTVDGEKMGVKIMLLAGGDLIESMGEPHVWADSDLHHILGNYGCLIVERTGSDVRSFLLSHDIMYEHRRNILIIKQLIYNDISSTKVRLFIRRGMSVQYLLPNSVIRYIQEYNLYINQSEPVKQVLDSKE,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9829666607012196,,s_7a4d4f1a05eeb9ea0a9d1ef8,test
catpreddb_km_km_0b62c8b757ff56,catpred_iteration1_km,km,A0A4Y5R087,A0A4Y5R087,MAEVKLYGFWPSPFSHRIIWALKLKGVEYEYIEEDLSNKSESLLKYNPVYKKTPVLVHGDKPIAESLVILEYIEETWPENPLLPKDPYERAMARFWIQYGVDTVAALRAFYLGSGEELEKAAKELSECLKILEEQGLGDKKFFGGESMNLVDISYGALGYWLAAVEEAKGVTVLKPSTLPRLHAWAKNLDELPVVKENIPASDKMLAYVTAAMNRPAKN,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,0.3168087520530221,,s_b54e176c31b3fbcb3621d554,test
catpreddb_km_km_0b6cd5a4e46bd1,catpred_iteration1_km,km,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,O=C/C=C/c1ccc(O)c(O)c1,O=C/C=C/c1ccc(O)c(O)c1,O=C/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7418418066592057,,s_08cbf502c176a7783bac2948,test
catpreddb_km_km_0b75daa296d154,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,O=C(CBr)C(=O)CBr,O=C(CBr)C(=O)CBr,O=C(CBr)C(=O)CBr>>,public_strict_iteration1_fulltrue_msa,,0.9314578706890048,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_0ba8b1b84d772d,catpred_iteration1_km,km,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.178049632821231,,s_2764a837703abb2f4c81a0d2,test
catpreddb_km_km_0babe97d06e9f7,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.886056647693163,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_0bc325fedf43ec,catpred_iteration1_km,km,P28629,P28629,MKVLIVESEFLHQDTWVGNAVERLADALSQQNVTVIKSTSFDDGFAILSSNEAIDCLMFSYQMEHPDEHQNVRQLIGKLHERQQNVPVFLLGDREKALAAMDRDLLELVDEFAWILEDTADFIAGRAVAAMTRYRQQLLPPLFSALMKYSDIHEYSWAAPGHQGGVGFTKTPAGRFYHDYYGENLFRTDMGIERTSLGSLLDHTGAFGESEKYAARVFGADRSWSVVVGTSGSNRTIMQACMTDNDVVVVDRNCHKSIEQGLMLTGAKPVYMVPSRNRYGIIGPIYPQEMQPETLQKKISESPLTKDKAGQKPSYCVVTNCTYDGVCYNAKEAQDLLEKTSDRLHFDEAWYGYARFNPIYADHYAMRGEPGDHNGPTVFATHSTHKLLNALSQASYIHVREGRGAINFSRFNQAYMMHATTSPLYAICASNDVAVSMMDGNSGLSLTQEVIDEAVDFRQAMARLYKEFTADGSWFFKPWNKEVVTDPQTGKTYDFADAPTKLLTTVQDCWVMHPGESWHGFKDIPDNWSMLDPIKVSILAPGMGEDGELEETGVPAALVTAWLGRHGIVPTRTTDFQIMFLFSMGVTRGKWGTLVNTLCSFKRHYDANTPLAQVMPELVEQYPDTYANMGIHDLGDTMFAWLKENNPGARLNEAYSGLPVAEVTPREAYNAIVDNNVELVSIENLPGRIAANSVIPYPPGIPMLLSGENFGDKNSPQVSYLRSLQSWDHHFPGFEHETEGTEIIDGIYHVMCVKA,N=C(N)NCCC[C@H](N)C(=O)O,N=C(N)NCCC[C@H](N)C(=O)O,N=C(N)NCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1870866433571444,,s_5ee7d27e799135bee39b0fec,test
catpreddb_km_km_0bc3c873761798,catpred_iteration1_km,km,P05065,P05065,MPHPYPALTPEQKKELADIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSSLAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHVYLEGTLLKPNMVTPGHACTQKFSNEEIAMATVTALRRTVPPAVPGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYIKRALANSLACQGKYTPSGQSGAAASESLFISNHAY,O=P(O)(O)OCC1(O)OC(CO)C(O)C1O,O=P(O)(O)OCC1(O)OC(CO)C(O)C1O,O=P(O)(O)OCC1(O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4577978644175179,,s_73e8f341fa8a086db0edf9f9,test
catpreddb_km_km_0bc5dd69fdc8e2,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1>>,public_strict_iteration1_fulltrue_msa,,-0.8297382846050426,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_0be40b2b77e8a8,catpred_iteration1_km,km,Q81P63,Q81P63,MKIKKESLEMRQMRKKVVLIGTGLIGGSLALAIKKDHDVTITGYDIFQEQVERAKELHVVDEIAVDLQHACEEAHLIVFASPVEETKKLLHKLASFHLREDVIVTDVGSTKGSIMNEAEALFSKEISFIGGHPMAGSHKTGVESAKAHLFENAFYILTPMHHVPNEHVEELKDWLKGTGSHFLVLNTEEHDYVTGIVSHFPHLIAAGLVKQVEKHAGDNPLIHQLAAGGFKDITRIASSSPKMWSDIVKQNREHLMVLLKEWISEMEDLYDTVSSGDAGEIQNYFADAKEYRDSLPVRKRGAIPAYHDLYVDVLDKVGALAHVTSILAREEISITNLQILEAREGLLGVLRISFQREEDRMKAKLALGEEKYQTYETI,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-1.280908201181988,,s_c80e98cfb506d47134818ce5,test
catpreddb_km_km_0be90870b62b0d,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)C[C@H](N)C(=O)O,CC(C)C[C@H](N)C(=O)O,CC(C)C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_0bef62f4995387,catpred_iteration1_km,km,Q5JDU3,Q5JDU3,MHATLREIKRTPEGIKTAQRAFEEFVTNSDFLLPREVVYTGCGSSHFLSQPLAMATTRLGGRGVALPCSELLYSREYYPVGKPELLVSISRSGETTEAVKALESLDVPKFALTAYESTLSRKADYALIVPTHEESVVMTHSFTAFYFAFLQLLNASFGLETYDAEMTSELTREALKNEGYIREITGEFDFRNVIFLGSGILYPIALEAMLKMKEMALFWSEAYQTFEVRHGFKSVADEGTLVVLLVNEPFDWHEKLTKEFQGQGARVLTIGNGDTGADYFIDLPKVDELLTPILHLPIIQLLSYYKAIKRGLNPDQPRFLSKVVKW,NC1C(O)OC(COP(=O)(O)O)C(O)C1O,NC1C(O)OC(COP(=O)(O)O)C(O)C1O,NC1C(O)OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4698003017969178,,s_cc632dcefc744f0431f95130,test
catpreddb_km_km_0bfffcf221bf07,catpred_iteration1_km,km,Q8K3F7,Q8K3F7,MLFLGMLKQVVNGTAQSKASSCRKLVLPLKFLGTSQHRIPADANFHSTSISEAEPPRVLITGGLGQLGVGLANLLRKRFGKDNVILSDIRKPPAHVFHSGPFVYANILDYKSLREIVVNHRISWLFHYSALLSAVGEANVSLARDVNITGLHNVLDVAAEYNVRLFVPSTIGAFGPTSPRNPAPDLCIQRPRTIYGVSKVHTELMGEYYYYRYGLDFRCLRYPGIISADSQPGGGTTDYAVQIFHAAAKNGTFECNLEAGTRLPMMYISDCLRATLEVMEAPAERLSMRTYNISAMSFTPEELAQALRKHAPDFQITYCVDPLRQAIAESWPMILDDSNARKDWGWKHDFDLPELVATMLNFHGVSTRVAQVN,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.8597385661971475,,s_2b59097a8e1a57d700997659,test
catpreddb_km_km_0c03cfd2d47523,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(C)(C)OC(O)=NCC(O)=NCC(=O)O,CC(C)(C)OC(O)=NCC(O)=NCC(=O)O,CC(C)(C)OC(O)=NCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_0c1413bf193181,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N/C(=N\c1ccccc1)N[N+](=O)[O-],N/C(=N\c1ccccc1)N[N+](=O)[O-],N/C(=N\c1ccccc1)N[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.2041199826559248,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_0c1bbee76189ac,catpred_iteration1_km,km,F1AQF9,F1AQF9,MSRAPSLAPSLAVDSVFVESEELTTPLVKGYVPDDNGKFDFDKMLEQMKYCGFQATNLGLAIDQINEMLHYDYEPQPGDEKKLFGLGGGVEGVKYKPRACKIFLGITSNLISSGMRDYIRFLVKHALVDVVVCTAGGIEEDFIKCLAPTHMGEFFHDGHDLRKRGLNRIGNLIVPNKNYCLFEDWIMPILDKCLEEQNTQGTKWTPSKLIHRLGLEINNEDSVWYWAAKNNIPVYSPALTDGSIGDMIYFHSYNNPGLVLDLVEDTRDMNNEPLWATKTGCIILGGGVVKHHIMNANLYRNGADFVVYVNTAHDFDGSDSGARPDEAVSWGKISLEAKPVKVYAEVTLVLPLLVAGSFSKFLAE,NCCCCNCCCN,NCCCCNCCCN,NCCCCNCCCN>>,public_strict_iteration1_fulltrue_msa,,-3.2218487496163566,,s_be4c86aaeb6c3ff3a2ad0569,test
catpreddb_km_km_0c3cafe21414c3,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,Oc1ccccc1,Oc1ccccc1,Oc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.6434526764861874,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_0c532c476e438e,catpred_iteration1_km,km,V5QZ74,V5QZ74,TGLYGEVSGPPAPVSAHVSEEQLPEVRTFTVTAEWSQSDLVRGSRLRYSQQWTLIADSNHHKSIRTVLPPGPCAPVAGELVSAVSPIRGQRAVVRETSGHQLLEIWNHHGLRKCLNLTALKEHGRVYEDVQFGCLSWSECEQKLLYVAEKDKNTHDGESACRKDRSVYCEDWGEALNNKSVPVIFVLNLQNGSVSELQGVPPDVSPGQALWAPGSQSVVFVGWYHEPFRLGLRFCSNRRSAIFKLDLGGNCECVSGSDLSVSCPRLSPDGSTIVYLQGRVFGPHNQCLSLQQLDLRSRKTSTLLEVVNRPLTGEFAGVYEALPPCCWSADSQRVVFSSARRNWKDLYMVDRQSNKVTSLSDSLPDLSKVFGSWKLLTVQKDLMVVCCSSPNTPPTLRVGFLPSAGEAVTWQTLQQPVMTFDLLWTVLDVTPPPEEDNTHYSGLDFGAILVKPTRRLHETKIPLVVFIHGGPHSQFPAEWNSITAGLAQLGFAVLMVNYRGSTGFGQDSILSLIGNIGTQDVKDVQRAVLTALQSDITLDPKRLAVIGGSHGGFLSCHLVGQYPEFYRACAARNPVINAATLLGTSDIVDWRYSSVGLQYSYDQIPTAEALAAMLEKSPITHAAQIKAPVLLMLGGKDRRVSPHQGLELYKALKSRASPVRLLWFPEDGHSLSRVDTQ,CSCC[C@H](N=C(C)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1,CSCC[C@H](N=C(C)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1,CSCC[C@H](N=C(C)O)C(O)=Nc1ccc2c(C)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_bd5087d7e1139710bf97278b,test
catpreddb_km_km_0c5b7a9b4c5735,catpred_iteration1_km,km,Q868I5,Q868I5,MQNHSFLGKTVLITGGCGFIGSHFVEACHVLGMTVYVLDNLSSGKNVFKTTSDCSSSLVYTIGDIRDKAIFSRLPQKIDFVIHLAAAVSVAESVTNPQKYMLTNVEGSRNVFQYAVDAKASAVLSASTAAYYGDCGKSAITEAFPYGGISPYAESKMEMERLGAEFQKTSRCRFIFCRFFNVYGPRQDPSSPYTGVMSIFMDRCAARKPITIFGTGEQTRDFVFIKDLIVAAINLLGQLDKFPIGADAVQQNDPEEVQRSAYTGEGVYPTVFNIGSGISISVNELAELAKIVSGRHEVEIVHGEPRSGDILHSLSDCTRIRNATGWSASTTLRVGMSETWGWAAGEISYLSGDLVRVLENELKIDGVSVAKSLCGKDADVKGIGL,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0705810742857072,,s_29be0c59fec29aea5f25c10f,test
catpreddb_km_km_0c5f118c10f457,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,0.1467177099245202,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_0c60e764566fb7,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.718750734739665,,s_482422f32efc21500360d70c,test
catpreddb_km_km_0c768a877e25e5,catpred_iteration1_km,km,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2758014482711162,,s_0c3e58e911f51068e88986ab,test
catpreddb_km_km_0c7cfd75c8b6ac,catpred_iteration1_km,km,Q9M1W4,Q9M1W4,MTGNSFNSMKDFLKQTGGYAVIDGGLATEFERHGADLNDPLWSAKCLVTSPHLIHTVHLDYLEAGADIISSASYQATIQGFEAKGFSREESESLLKKSVEIATEARNSYYDKCGTSSSMDDKILKKRPILVAASVGSYGAYLADGSEYSGIYGDSITLEKLKDFHRRRLQVLAESGADLIAFETIPNKIEAQAFADLLEEGDVKIPGWFSFNSKDGVNVVSGDSIKECISIAENCEKVVAVGINCTPPRFIEGLVLEIEKVTSKPILVYPNSGESYDADRKEWVENTGVGDEDFVSYVEKWMDAGVSLLGGCCRTTPTTIRAIHKRLVNRRSL,C[S+](C)CCC(N)C(=O)O,C[S+](C)CCC(N)C(=O)O,C[S+](C)CCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_78d8427694ba2a5941cb1004,test
catpreddb_km_km_0c904c01ad8c8e,catpred_iteration1_km,km,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.342944147142896,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_km_km_0c96a3b338a35d,catpred_iteration1_km,km,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1>>,public_strict_iteration1_fulltrue_msa,,-0.2572748686953017,,s_0ad9625fa36195c17c775d5c,test
catpreddb_km_km_0c97e8911f5dca,catpred_iteration1_km,km,A0A1A6GB48,A0A1A6GB48,MTANAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIIDINTAKTEGDAIDLSHALAFTSPKKIYSASYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINREVVTQIVDSGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVKNNPDVDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVYMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKDILDEAFAKLDAE,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.8516674048692345,,s_6a522ceae28ae67fd03287b1,test
catpreddb_km_km_0cac83be52a467,catpred_iteration1_km,km,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)[C@@H](C)O)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)[C@@H](C)O)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)[C@@H](C)O)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)O>>,public_strict_iteration1_fulltrue_msa,,-2.167491087293764,,s_758b68a2c36468550d799726,test
catpreddb_km_km_0caf90f2b86bfd,catpred_iteration1_km,km,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]3O)OC[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3820170425748684,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_km_km_0cbc1935901339,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N=C(O)Cn4cnnn4)[C@H]3SC2)s1,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N=C(O)Cn4cnnn4)[C@H]3SC2)s1,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](N=C(O)Cn4cnnn4)[C@H]3SC2)s1>>,public_strict_iteration1_fulltrue_msa,,-0.1094815306894339,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_0cdef6331cef51,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,CC(N)C(=N)O,CC(N)C(=N)O,CC(N)C(=N)O>>,public_strict_iteration1_fulltrue_msa,,-0.1870866433571444,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_0ce979a4e4ef10,catpred_iteration1_km,km,Q00441,Q00441,MTTVPDLESDSFHVDWYRTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEKYRGEFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALIRVQDDDDGRLSADELTSIALVLLLAGFEASVSLIGIGTYLLLTHPDQLALVRRDPSALPNAVEEILRYIAPPETTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPKQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVRLDG,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.4867823999320609,,s_cf50d631c1b1309ed4f5653e,test
catpreddb_km_km_0cee73da1df8a5,catpred_iteration1_km,km,K9L4P7,K9L4P7,MKSTIITSILFSVATVQAYSPAEQIDVQSHLLSDPTKVEGKTYDYVIAGGGLTGLTVASKLSENPKIKVLVIEKGFYESNDGPIIEDPNAYGEIFGTSVDQNYLTVPLINNRTGEIKSGLGLGGSTLINGDSWTRPDKVQIDSWEKVFGMEGWNWDNVFQYMQKAERSRPPTAAQIEAGHFYDPACHGTDGTVHAGPRDNGKPWSPLMRALMNTVSAFGVPVQKDFHCGHPRGVSMIPNNLHENQIRADAAREWLLPNYQRDNLQILTGQKVGKVLFNQTASGPKAVGVNFGTNKAVNFNVYAKQEVLLAAGSAISPLILEYSGIGIKSVLDKAGVKQLLELPVGLNMQDQTTTTVRSRANNAPGQGQAAYFANFTEVLGDHAAQGINLLDTKLDQWAEETVARGGFHNVTALKIQYENYRNWLLDEDVAFAELFFDTEGKINFDIWNLIPFTRGSVHILSSDPYLWQYANDPKFFMNELDLLGQAAATKLGRELSSAGEMKKYYAGETIPGDNLPQDATVEQWEDYVMMNFRPNWHAVSTCSMMSRELGGVVDATAKVYGTQGLRVIDGSIPPTQVSSHVMTVFYGMALRIAESVLEDYAKSA,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.021189299069938,,s_70914183665fd424c85a046d,test
catpreddb_km_km_0cf2164220495d,catpred_iteration1_km,km,Q9WXX1,Q9WXX1,MNLYVGLDVGTTGVKGILVNEKGEILATANERLTMFTPQPAWAEQDPLSWWEAVKKILKNLSERSKEMGGKIRAISTSGQMHSLVAIDDNGKVLRNAILWCDQRTYKECEEATQILGGEENVLKLVGNPILPGFTLPKILWIRKHEPEIYGKISKIMLPKDFINYMLTGEVKTEHSDASGTVMYSVSKMEWNKDVLKELNIPESVLPEIIPSNGVVGNVKPEVASDLGLSEDTLVIGGGADNACAALGIAVVEPGDVMVSLGTSGTVLAPTKGNQPDPKGRVHFFAHTVPETRYHMGVMLSATYSLEWFKEKFLSEDYETINEEVDKIPAGSNGIIFLPYLNGERTPHRDPFARGVFFGISSYNTKWDMVRAIFEGVAFGIKDSFDILRELKVVLNSVRITGGGSKSRVWNKMLADMTGLRIQKPAVDEGASYGAAILAVSGSMGENPAKISKEWFRVKSYTDPAVENTETYEKLHEKFKKLYTSLKEMFRS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5043869621537526,,s_f894650019f7c2e7a27e334b,test
catpreddb_km_km_0cf53187d5c175,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,O=c1nc(O)c(F)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)c(F)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)c(F)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8096683018297085,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_0d3cde1e46bc04,catpred_iteration1_km,km,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c12.[Na+].[Na+].[Na+].[Na+],Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c12.[Na+].[Na+].[Na+].[Na+],Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc2)c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c([O-])c12.[Na+].[Na+].[Na+].[Na+]>>,public_strict_iteration1_fulltrue_msa,,-1.9929369003100208,,s_3922a407c453485de3311bb6,test
catpreddb_km_km_0d41b1309c8646,catpred_iteration1_km,km,P08619,P08619,MEAPALEQRQSLHDSSERQQRFTSLILPNGVGCSSREEPQGSGGLLVPHNDNDIDNDLASTRTASPTTTDFSSSSSDDNSTTLETSVNYSHSSNTNTNTSCPPSPITSSSLKPAYPLPPPSTRLTTILPTDLKTPDHLIRDPRLIRLTGSHPFNVEPPLTALFEHGFLTPQNLHYVRNHGPIPSSVATPPATINKEEDDSLLNWEFTVEGLVEHPLKISVRELMDASKWDNVTYPVTLVCAGNRRKEQNVLRKSKGFSWGAGGLSTALWTGVGLSEILARAKPLTKKGGGARYVCFEGADQLPNGTYGTSVKLAWAMDPNKGIMVAHKMNGENLHPDHGRPVRVVVPGQIGGRSVKWLKRIVVTKGPSENWYHVFDNRVLPTTVGPEESGEKTEEMERVWRDERYAIYDLNVNSVICEPGHGEVVSLRGDEGAGTYRLRGYAYAGGGRRVTRLEVTLDQGKSWRLAGIEYPEDRYREAQDGEELFGGRLDVSWRESCFCWCFWDLEIPLSELRKAKDVCIRAMDESLALQPKEMYWSVLGMMNNPWFRVVIHHEGDTLRFEHPTQPMLTSDGWMDRVKKEGGNLANGFWGEKVPGAEENVVKEEPVKEISMVDEKVTRLITLEELRQHDGEEEPWFVVNGQVYNGTPFLEGHPGGAASITGAAGQDVTDEFLAIHSENAKAMMPTYHIGTLTPSAPAALKSSSTSDPALSDPSRPIFLQSKTWNSAILTFKESVSPDTKIFHFALSHPAQSIGLPVGQHLMMRLPDPAKPTESIIRAYTPISDGTLERGTLRVLVKIYYASPTEDIKGGQMTQALDALALGKAVEFKGPVGKFVYQGRGVCSVNGRERKVKRFVMVCGGSGVTPIYQVAEAVAVDDQDGTECLVLDGNRVEGDILMKSELDELVERAKPMGRCRVKYTLSRPGAEWEGLRGRLDKTMLEREVGEGDLRGETMVLLCGPEGMQNMVREVLKGMGWKDEDVLVF,O=[N+]([O-])[O-],O=[N+]([O-])[O-],O=[N+]([O-])[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_7d07f30eda14f7e8b2b96c05,test
catpreddb_km_km_0d55bc5daa3842,catpred_iteration1_km,km,G2WB81,G2WB81,SRVGKIEEAKRSIAVSNKVAVDDPAVLAEVEAVLAGIEAEKLAGNASWGELFDTKNKIFQRLIMGAMIQSLQQLTGDNYFFYYGTTIFKAVGLSDSFETSIVLGIVNFASTFVGIYVVDRYGRRTCLLWGAASMTACMVVFASVGVTRLWPNGQDQPSSKGAGNCMIVFACFYIFCFATTWAPIPFVVNSETFPLRVKSKCMSIAQACNWIWGFLIGFFTPFITGAINFYYGYVFMGCLVFMYFYVLLVVPETKGLTLEEVNTMWEEGVLPWKSASWVPPSRRGANYDAEEMAHDDKPLYKRMFSTK,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_436b0b4d79e0d218d03b822c,test
catpreddb_km_km_0d56bcd4bbf8fb,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,OCC1(O)OCC(O)C1O,OCC1(O)OCC(O)C1O,OCC1(O)OCC(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1711879511305317,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_0d5d8d754c3d75,catpred_iteration1_km,km,A0A533I0Q4,A0A533I0Q4,MARHLITSALPYINGIKHLGNLVGSQLPADLYARYLRGRGHEVMFICATDEHGTPAELAAAKTGEPVDVYCARMHAEQSKLAAGFGLSFDHYGRSSSAQNRQLTQHFAGKLDQEGLIREVSEKQVYSIDDGRFLPDRYIEGTCPNCGYEKARGDQCENCTKQLDPTDLINPHSTISGSTNLEVRETKHLYLRQSAMKDQIAAWIDSKTDWPVLTTSIAKKWLFDGDGLQDRGITRDLDWGVPVQKGDQPWPGMEGKVFYVWFDAPIEYIGATAEWADANGGDWERWWRTDKGAGDVTYTQFMGKDNVPFHTLGFPTTIMGSGEPWKLVDYIKSFNYLTYDGGQFSTSQGRGVFMDDALSLLPADYWRWWLLSHAPESGDSEFTWENFQQSVNKDLADVLGNFVSRITKFCRSKFGETVPEGGEWGEAERELAAALTARIRAYEAFMDRMEVRKAAGELRAIWVLGNEYLQSAAPWATFKEDPEKAAMQVRLGLNLIALYASLSAPFITFTAATLREAMNSSDTWPDDVDAALTALPPGHAFTVPDNLFAKITDEQREEWTERFKGTRA,C[Se]CC[C@H](N)C(=O)O,C[Se]CC[C@H](N)C(=O)O,C[Se]CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5086383061657274,,s_9dbf85e386cda9fc02f76311,test
catpreddb_km_km_0d7dedacfceb12,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCC/C=C\CCCCCCCC(=O)[O-],CCCC/C=C\CCCCCCCC(=O)[O-],CCCC/C=C\CCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_0d7e3fa0e450a5,catpred_iteration1_km,km,O52250,O52250,MQTQILERMESDVRTYSRSFPVVFTKARNARLTDEEGREYIDFLAGAGTLNYGHNNPHLKQALLDYIDSDGIVHGLDFWTAAKRDYLETLEEVILKPRGLDYKVHLPGPTGTNAVEAAIRLARVAKGRHNIVSFTNGFHGVTMGALATTGNRKFREATGGVPTQAASFMPFDGYLGSSTDTLDYFEKLLGDKSGGLDVPAAVIVETVQGEGGINVAGLEWLKRLESICRANDILLIIDDIQAGCGRTGKFFSFEHAGITPDIVTNSKSLSGYGLPFAHVLMRPELDKWKPGQYNGTFRGFNLAFATAAAAMRKYWSDDTFERDVQRKARIVEERFGKIAAWLSENGIEASERGRGLMRGIDVGSGDIADKITHQAFENGLIIETSGQDGEVVKCLCPLTIPDEDLVEGLDILETSTKQAFS,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6532125137753437,,s_180c32fe71f69cef4312d55e,test
catpreddb_km_km_0d9b8ab9c2ddd1,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-3.2479155033153573,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_0dafeb378fb1eb,catpred_iteration1_km,km,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,1.564199634358903,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_km_km_0db718aa1d98fb,catpred_iteration1_km,km,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1,Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1,Nc1ccn(C2CC(O)C(CO)O2)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.8349628358457689,,s_006f723d5d8d505a1b6694d0,test
catpreddb_km_km_0dcf41814abcb4,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CCCCOc1ccc(N)cc1,CCCCOc1ccc(N)cc1,CCCCOc1ccc(N)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_0dd28808966bf8,catpred_iteration1_km,km,Q97LU2,Q97LU2,MIVKAKFVKGFIRDVHPYGCRREVLNQIDYCKKAIGFRGPKKVLIVGASSGFGLATRISVAFGGPEAHTIGVSYETGATDRRIGTAGWYNNIFFKEFAKKKGLVAKNFIEDAFSNETKDKVIKYIKDEFGKIDLFVYSLAAPRRKDYKTGNVYTSRIKTILGDFEGPTIDVERDEITLKKVSSASIEEIEETRKVMGGEDWQEWCEELLYEDCFSDKATTIAYSYIGSPRTYKIYREGTIGIAKKDLEDKAKLINEKLNRVIGGRAFVSVNKALVTKASAYIPTFPLYAAILYKVMKEKNIHENCIMQIERMFSEKIYSNEKIQFDDKGRLRMDDLELRKDVQDEVDRIWSNITPENFKELSDYKGYKKEFMNLNGFDLDGVDYSKDLDIELLRKLEP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.9771593891234722,,s_8d1671fa2f8157024b015a61,test
catpreddb_km_km_0df3d6c88774dc,catpred_iteration1_km,km,G5DGA8,G5DGA8,MMVKIQDSVYLVTGGGSGLGEATAKLLLTEGARVTIFSRNEYKNEFPHDQVLSVKGDVRSESDVKRALEATIQKFGKLDGVMHCAGVFQNGDELFNMDTQQPGDYTVLTDIVTTNLLGTFNVNRLAIPYFLTNQPDEEGQKGIIINCSSTSGHSPMSSAVAYSTSKAAIIGLSYALAKQLSTLGIRVMDIAPALCDTPMFRRAVGFNQDIANFRNLFPARLIQPIEYANAVKHIIETPMLNGSSYQLDGALRP,C=CC(=C)CC(=O)C=C(C)C,C=CC(=C)CC(=O)C=C(C)C,C=CC(=C)CC(=O)C=C(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_be1fd4afe3a92494c2d08c64,test
catpreddb_km_km_0e0cacfd06c6d3,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,C=C[C@@](C)(C=Cc1ccc(O)cc1)CCC=C(C)C,C=C[C@@](C)(C=Cc1ccc(O)cc1)CCC=C(C)C,C=C[C@@](C)(C=Cc1ccc(O)cc1)CCC=C(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.4559319556497243,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_0e4b82f1ff5d15,catpred_iteration1_km,km,Q705J0,Q705J0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSWKPGDMRLYANSSIGLFGALTANAAGMPYEQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRTGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-3.3010299956639813,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_0e517de353d3db,catpred_iteration1_km,km,Q7M0Y3,Q7M0Y3,SKHFDSIVLGAGPGGYVAAIKGAQLGLNVAIVEXRXFGGTXRNR,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.3279021420642825,,s_8c3a58d53d09aaaa5c4d8eac,test
catpreddb_km_km_0e56d7384e2d50,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCC/C=C\CCCCCCCC(=O)[O-],CCCCCCCC/C=C\CCCCCCCC(=O)[O-],CCCCCCCC/C=C\CCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.619788758288394,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_0e66e1d8d6f00f,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)OCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)OCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)OCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.4834892776585447,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_0e71aa05e253fd,catpred_iteration1_km,km,O80689,O80689,MKNLTSFVIVILLQSLLFHVYGRHQSSSKNILVDSSPFPSDFLFGTASSAYQYEGAFLTDGKSLNNWDVFTHKNPGKILDKNNADRAVDQYNRFLEDIQLMSFLGVNSYRFSISWCRILPRGRFGEINYLGIKYYNIFIDALISRGIKPFVTLNHVDYPQELEDRFQSWLNPEMQKEFGYLADICFKHFGNRVKYWTTLNEPNQQLILGYLTGKFPPSRCSSPYGNCSQGNSETEPFIAAHNMILAHAKAVNIYKTKYQKEQKGSIGIVVQTSWFEPISDSNADKEAAERAQSFYSNWILDPVIYGKYPKEMVDILGPALPQFSSNEVKNLEKSRADFVGINHYTSYFIQDCLTSACNTGHGAFKAEGYALKLDRKGNVTIGELTDVNWQHIDPTGFHKMLNYLKDRYPNMPMFITENGFGDLQKPETTDKELLNDTKRIQYMSGYLEALQAAMRDGANVKGYFVWSLLDNFEWLFGYKVRFGLFHVDLTTLKRSPKQSASWYKNYIEEHVNRRDIVDNY,COc1cc(C=CCO)ccc1OC1OC(CO)C(O)C(O)C1O,COc1cc(C=CCO)ccc1OC1OC(CO)C(O)C(O)C1O,COc1cc(C=CCO)ccc1OC1OC(CO)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.8450980400142568,,s_1ff3a34edb5585b4b8692f7e,test
catpreddb_km_km_0e786f23659015,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-2.721246399047171,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_0e8354f0fdd6e2,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.2676062401770316,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_0e969baf6b4923,catpred_iteration1_km,km,E2CWD2,E2CWD2,MAPKSSTRVPLSVKGPIDCPYEGKEMLNLPQFNRGTAFTAEERDLFNLVGNLPAALQTLQNQVDRAYDQYSSISTALGKNTFLMSLKVQNEVLYFKLLQDHLKEMFSIIYTPTESEAIEHYSRLFRRPEGCFLNINHPEYIERSLAAWGTEEDIDYIIVSDGEEILGIGDQGVGAIGISSAKAVLMTLCAGVHPSRCIPVALDVGTDNEQLLEDELYLGNRHNRVRGGRYDKFVDDFVQCVKKLYPRAVLHFEDFGLPNARRLLDTYRPRLACFNDDVQGTGAVTLAALSSAVRVAGIDFRDLRTVIFGAGTAGTGIADQLRDFLNTQGISKQQVIDHIWLVDKPGLLLKSMHDKLTSAQRPYAASDDRWKEIDTKSLSEIVKKVKPHVLIGCSTKPKAFNEAVLREMAKHVERPIVFPLSNPTRLHEATPAEIFKYTDGKALVATGSPFDPVDGKEIAENNNCFVYPGIGMGSILSRADRVTETMIAAVVKELASLAPSEKDPTGALLPDVADIRDISAKIATAVVLQALEEGTARVEEIEGIKVPRDRDHCLEWVKEQMWQPEYRPLRKV,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_7575381591ce1f3fb1ab1419,test
catpreddb_km_km_0e9702fc92cbe0,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_0e99236519c073,catpred_iteration1_km,km,Q3SEZ6,Q3SEZ6,MSKLVRPHGGGELKPLLLTGDALSAEKARAASLPQLKMSSRETGDLIMMGIGGFTPLDGFMTKSDWQGVCDGYKMTNGLFWPIPITLSTDDESIKDGDELALVDAETGEIMGTMKVTDKYTIDKAHECMQVYKTTDMEHPGVKMVMAQGKYNLAGPVKVLSTGNFKEEYGEQFMTPAETRAKFEQMGWSRVAAFQTRNPMHRSHEYLAKIAIETMDGVLVHSLLGALKPGDIPAEVRSEAIATLIDNYFAPNTVIQAGYPLDMRYAGPREALLHALFRQNYGCSHLIVGRDHAGVGDYYGPFDAQKIFDEIPKGSLETVNMNIDWTFWCKKCGGMASQRTCPHTKDDRILLSGTKVRAMLSEGQDLPVEFSRPEVAKVLQKYYAGLSAEQNVKVELKGHSAA,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_a2d3076d9d34a37b59469d1b,test
catpreddb_km_km_0e9d198c9a9dbc,catpred_iteration1_km,km,Q57Z14,Q57Z14,MYRKNVCVVIFNEDLNFLACQRIHEDKFQFVQGGVEEGDADIIRAAYREVHEEVGLFPEDLRLIGEIMPPSGDPHEFRYILHEGANLRHFGYVGQQQRLFLFYTPSSTIQRVRLVPPKGSVAKQEFSHVEWLPIDEIIERCPKEKQHIFVAVSKVAIPMAKAFLKTRSSI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.332547047110046,,s_15889064dbb82d3b73da9a11,test
catpreddb_km_km_0edbbf253698b2,catpred_iteration1_km,km,Q9L555,Q9L555,MKVLFTTFAAKSHMHAQVPLAWALQTAGHEVRIASQPDLAEDITRTGLTAVCVGEPLLLEEQMQRVNEGLGDDAEIMESQAEAGMDMTETRPEMLTWDHVLGVFTSMTAMAFQNSCPERMIDDVVAFAREWQPDLIVWDTLSFAGPVAAQVTGAAHARLLFGLDLLGRMRETFLDLQEERLPEQRDDPLREWLTWTLGRYGAEFEEEVAVGQWTVDPVPPSMRFPVKQPFVPLRYIPYNGQAVIPDWLHEPPKKRRVCLTLGVAHREVLDGDRASIGELVEALAELDVEVVATLNEKQLAGMELPDNVRAVDFVPLNALLPTCSAVIHHGGSGTFQTALAHGVPQLIVPDMVWDTIHKAKQLERFGAGLYLHDVDNYTAQDLRDHLLRLLEEPSFAENCARIRREMVGTPSPNDIVPLLEKLTAEHRRDRGARGTVRGEQ,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3CC(N)C(O)C(C)O3)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3CC(N)C(O)C(C)O3)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3CC(N)C(O)C(C)O3)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-0.0268721464003013,,s_97ef0c32eac98fa1480a9b5a,test
catpreddb_km_km_0ee327a0a0f34c,catpred_iteration1_km,km,Q9GJX5,Q9GJX5,MTVPALASVSGLLQVASLLGLLLLLLKAAQLYLRRQWLLKALQQFPSPPSHWLYGHSREFQEESELQPLLKRVEKYPSACARWLWGTRAMVLVYDPDYMKVVLARSEPKAPVLYRLLIPWIGCGLLLLNGQMWFQRRRMLTPAFHYDILKPYVGLMAKSVQVMLDKWEQLVAQDPRLEIVGPVSLMTLDTIMKCAFSHQGSAQTDGDSQSYIQAIWDLKNLIFSRLRSAFLQNDIIYRLSPEGRQCQRACQKVHQHTDRVIQLRKTHLQKEGEMENVKKKRHLDFLDILLFARMENGNSLSDTDVRAEVDTFMAAGHDSTASGISWVLYALASNPEHQQRCREEIQGLLGDGTSITWDHLDQMPYTTMCIKEALRLYPPVPSVGRELSKPITFPDGRSLPAGIILSLSIYGLHHNPQVWPNPEEFDPSRFAPGSARHSHAFMPFSGGSRNCIGKQFAMNEMKVVVALTLLRFELAPDPSRIPVPIQGIVLKSKNGIHLNLRKIP,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.2013493545547311,,s_fd1bdb29bd03d0b148166c43,test
catpreddb_km_km_0ee8533afbbf78,catpred_iteration1_km,km,E9LVH8,E9LVH8,MANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1808650889361298,,s_622f654e005640bab6abcb8a,test
catpreddb_km_km_0ef237d312ca7c,catpred_iteration1_km,km,G8XUN7,G8XUN7,MNTRIPPGPGAVPMPSRRLFVQGLAAGGVVAGIAAVGVPQRALAAATAAPRLAGAPAVLSDTRIELAIGESLANFTGRTRPAITVNGSLPAPILRWREGQTVDLFVRNTLERHPTSIHWHGILLPANMDGVPGLSFNGIGPGETYHYHFELKQSGTYWYHSHSMFQEQAGLYGALIIDPAEPAPYHHDREHVILLSDWTDMDPGALFRRMKKLAEHDNYYKRTLPDFLRDVKRDGWSAALSDRGMWGRMRMTPTDISDINAHTYTYLMNGTAPAGNWTGLFRSGEKVLLRFINGASMTYFDVRIPGLKMTVVAADGQYIHPVSIDEFRIAPAETYDVLVEPTGQDAFTIFCQDMGRTGFAAGTLAVRHGLQAPIPAPDPRPLLTMSDMGHDMGSGGHGGHDMAAMKGMEGGCGASMGHDGDTASRAPKHPASERNNPLVDMQSSATEPKLDDPGIGLRDNGRQVLTYGAMRSLFEDPDGREPSREIELHLTGHMEKFSWSFDGIPFASAEPLRLNYGERMRIVLVNDTMMQHPIHLHGVWSDLENAQGEFQLRKHTIDMPPGTRRSYRVRADALGRWAYHCHLLYHMEAGMMREVRIEE,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.4753909886649091,,s_d5955ff5ac396c6fbc4cd205,test
catpreddb_km_km_0f0f70930766a5,catpred_iteration1_km,km,P22045,P22045,MAGVDKAMVTLSNGVKMPQFGLGVWQSPAGEVTENAVKWALCAGYRHIDTAAIYKNEESVGAGLRASGVPREDVFITTKLWNTEQGYESTLAAFEESRQKLGVDYIDLYLIHWPRGKDILSKEGKKYLDSWRAFEQLYKEKKVRAIGVSNFHIHHLEDVLAMCTVTPMVNQVELHPLNNQADLRAFCDAKQIKVEAWSPLGQGKLLSNPILSAIGAKYNKTAAQVILRWNIQKNLITIPKSVHRERIEENADIFDFELGAEDVMSIDALNTNSRYGPDPDEAQF,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.892790030352132,,s_32000de84ce188b22e1d028d,test
catpreddb_km_km_0f13fe5cebdfdc,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,O=C(N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1)c1ccccc1,O=C(N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1)c1ccccc1,O=C(N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_0f2b81cfb8a5f1,catpred_iteration1_km,km,P17858,P17858,MAAVDLEKLRASGAGKAIGVLTSGGDAQGMNAAVRAVTRMGIYVGAKVFLIYEGYEGLVEGGENIKQANWLSVSNIIQLGGTIIGSARCKAFTTREGRRAAAYNLVQHGITNLCVIGGDGSLTGANIFRSEWGSLLEELVAEGKISETTARTYSHLNIAGLVGSIDNDFCGTDMTIGTDSALHRIMEVIDAITTTAQSHQRTFVLEVMGRHCGYLALVSALASGADWLFIPEAPPEDGWENFMCERLGETRSRGSRLNIIIIAEGAIDRNGKPISSSYVKDLVVQRLGFDTRVTVLGHVQRGGTPSAFDRILSSKMGMEAVMALLEATPDTPACVVTLSGNQSVRLPLMECVQMTKEVQKAMDDKRFDEATQLRGGSFENNWNIYKLLAHQKPPKEKSNFSLAILNVGAPAAGMNAAVRSAVRTGISHGHTVYVVHDGFEGLAKGQVQEVGWHDVAGWLGRGGSMLGTKRTLPKGQLESIVENIRIYGIHALLVVGGFEAYEGVLQLVEARGRYEELCIVMCVIPATISNNVPGTDFSLGSDTAVNAAMESCDRIKQSASGTKRRVFIVETMGGYCGYLATVTGIAVGADAAYVFEDPFNIHDLKVNVEHMTEKMKTDIQRGLVLRNEKCHDYYTTEFLYNLYSSEGKGVFDCRTNVLGHLQQGGAPTPFDRNYGTKLGVKAMLWLSEKLREVYRKGRVFANAPDSACVIGLKKKAVAFSPVTELKKDTDFEHRMPREQWWLSLRLMLKMLAQYRISMAAYVSGELEHVTRRTLSMDKGF,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.1593793813122064,,s_48c2be0a43633acbf432ae16,test
catpreddb_km_km_0f3464e11c622b,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.912912377069169,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_0f42b414624b2b,catpred_iteration1_km,km,P11178,P11178,MQGSAKMAMAVAVAVARVWRPSRGLGRTGLPLLRLLGARGLARFHPHRWQQQQHFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYKSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALDDTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDLGKGRQMPVHYGCRERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGILSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHHLQSRGWWDDEQEKAWRKQSRKKVMEAFEQAERKLKPNPSLIFSDVYQEMPAQLRKQQESLARHLQTYGEHYPLDHFEK,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_6ab38fd0f667596d6f2abce4,test
catpreddb_km_km_0f44634a233a67,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N=C(O)CC[C@@H](N)C(=O)O,N=C(O)CC[C@@H](N)C(=O)O,N=C(O)CC[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.9111576087399764,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_0f4a3cbea6088d,catpred_iteration1_km,km,Q9SCL7,Q9SCL7,MATVTSNASPKSFSFTVSNPFKTLIPNKSPSLCYPTRNKNHHRLGFSIKATVSTPPSIATGNAPSPDYRVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMITG,CC(=O)NC(CCC(=O)O)C(=O)O,CC(=O)NC(CCC(=O)O)C(=O)O,CC(=O)NC(CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9071388132721896,,s_f50adb24004f25117fc4da7c,test
catpreddb_km_km_0f4afc076dc6f6,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,CCC=O,CCC=O,CCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.2508447231051998,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_0f94167f896fef,catpred_iteration1_km,km,Q4CQE2,Q4CQE2,MTRRVAIGTDHPAFAIHENLILYVKEAGDEFVPVYCGPKTAESVDYPDFASRVAEMVARKEVEFGVLACGSGIGMSIAANKVPGVRAALCHDHYTAAMSRIHNDANIVCVGERTTGVEVIREIIITFLQTPFSGEERHVRRIEKIRAIEASHAGKKGVQ,O=P(O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO,O=P(O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO,O=P(O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_9147ec93dd1fe32e101c7386,test
catpreddb_km_km_0f9c9e6d438909,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(=O)C(=O)c1ccccc1,CC(=O)C(=O)c1ccccc1,CC(=O)C(=O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.4211809002505265,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_0fada7ce49244b,catpred_iteration1_km,km,Q09IZ4,Q09IZ4,MILRILNLVMLAILARTTFAQLQQVTNFGPNPTNVGIYAYRPSGLPANPALIVAMHYCTGTAQAYYSGTRYATLANTYKFIVIYPNAPDSGGCWDVHTNATLTHDAGGDSLGIASAIRYAINTWGVDRNRVFATGTSSGAMMTNVLAGAYPDLIKAGAAFAGVPYGCFAGPGMWNSQCAQGQLTKTAQQWGDQVRSGYPGYTGSRPKMQIWHGTRDETLNYNNFDEAIKQWTNIFGYSTTATQVQQNSPLSGWTRSTYGPNFQAISAANVPHNIPVQENDVLNWFGITGGGPTTTTTTTGPTQPPTTTTPGGPLQTQWGQCGGIGWTGPTACQPPFTCQYTNDWYSQCR,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_87d966b798baa57fa1902ada,test
catpreddb_km_km_0fb8aae5cfd598,catpred_iteration1_km,km,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CCC(C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CO)C(O)=NCC(=O)O,CCC(C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CO)C(O)=NCC(=O)O,CCC(C)[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCSC)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](CCSC)N=C(O)c1ccccc1N)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CO)C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6615435063953952,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_km_km_0fc840aaa59800,catpred_iteration1_km,km,C6KT09,C6KT09,MICVKNILKRYKNSPLNELRNNRKYYEGSFVKSIKFSTSNYGSNEKKPNDIEKNKNVSINLNEGNILQSEIYDTVVIGGGVTGTALFFLLSKFTNLKKLAIIERRDNFALVASHGKNNSQTIHCGDIETNYSFEKAKFIKRYADMLRNYLTNIPKEKRENISSVTQKMVLGVGEKECQFLEERYPVFRQLFNSMKLYNKDDIHEVEPRVALKDSHTLREEQLSALYMPPELTTCDYQKLSESFIESARTVPNKTISINLLTEVINIEEVNDSLYKIHTNKGIINSRFVVVCACGHSLMIAQKMNYGLEYSCMPVAGSFYFTDNILKGKVYTIQNPALPFAAVHGDPDIIEKGKTRFGPTAIPLPLLERDNIKTLLDFLKVWNPDLSLFQVYYNLFKDMTMLKYVARNVLFEIPVLNKYLFLKDVKKIIPSLTIKDLTYCVGYGGVRPQLINKKSKKLILGEGKIDPGKNIIFNITPSPGATTCLGNGEFDMNTICERLNAKINKNDVKKYLYEGEYPVNYL,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7774268223893114,,s_de66c8a48e5fb2f983bdf6f3,test
catpreddb_km_km_0fd320cba44c6e,catpred_iteration1_km,km,P05102,P05102,MIEIKDKQLTGLRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYEMNFGEKPEGDITQVNEKTIPDHDILCAGFPCQAFSISGKQKGFEDSRGTLFFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDSEVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGERIYSTRGIAITLSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQYIAYNIGSSLNFKPY,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-3.958607314841776,,s_ad65a2a9afbb74d766a80ceb,test
catpreddb_km_km_0fd9595f6d642b,catpred_iteration1_km,km,P52789,P52789,MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.7901873195561284,,s_25c30a5c1a74e65251e97a3f,test
catpreddb_km_km_0fda26395e23e5,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,COC(=O)CCS,COC(=O)CCS,COC(=O)CCS>>,public_strict_iteration1_fulltrue_msa,,0.6720978579357175,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_0fefc9ecff9f07,catpred_iteration1_km,km,P30235,P30235,MREKDYVVIIGSANIDVAGYSHESLNYADSNPGKIKFTPGGVGRNIAQNLALLGNKAWLLSAVGSDFYGQSLLTQTNQSGVYVDKCLIVPGENTSSYLSLLDNTGEMLVAINDMNISNAITAEYLAQHGEFIQRAKVIVADCNISEEALAWILDNAANVPVFVDPVSAWKCVKVRDRLNQIHTLKPNRLEAETLSGIALSGREDVAKVAAWFHQHGLNRLVLSMGGDGVYYSDISGESGWSAPIKTNVINVTGAGDAMMAGLASCWVDGMPFAESVRFAQGCSSMALSCEYTNNPDLSIANVISLVENAECLN,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_7866c413ef1b3a3833a78b0d,test
catpreddb_km_km_0ff432056dfc3a,catpred_iteration1_km,km,A2RU49,A2RU49,MSSGNYQQSEALSKPTFSEEQASALVESVFGLKVSKVRPLPSYDDQNFHVYVSKTKDGPTEYVLKISNTKASKNPDLIEVQNHIIMFLKAAGFPTASVCHTKGDNTASLVSVDSGSEIKSYLVRLLTYLPGRPIAELPVSPQLLYEIGKLAAKLDKTLQRFHHPKLSSLHRENFIWNLKNVPLLEKYLYALGQNRNREIVEHVIHLFKEEVMTKLSHFRECINHGDLNDHNILIESSKSASGNAEYQVSGILDFGDMSYGYYVFEVAITIMYMMIESKSPIQVGGHVLAGFESITPLTAVEKGALFLLVCSRFCQSLVMAAYSCQLYPENKDYLMVTAKTGWKHLQQMFDMGQKAVEEIWFETAKSYESGISM,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.4559319556497243,,s_dd249254cd4a1f1e10d048d7,test
catpreddb_km_km_100ddc6caa57d4,catpred_iteration1_km,km,A0A229Y8S8,A0A229Y8S8,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4136846365269127,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_101c613d25336a,catpred_iteration1_km,km,P79076,P79076,MSTSSSDPFFNFTKSSFRSAAAQKASATSLPPLPGPDKKVPGMDIKYDVVIVGSGPIGCTYARELVEAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVIDTLSPTSWQASSFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDQDADDAEWDRLYTKAESYFKTGTDQFKESIRHNLVLNKLAEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPNERFNLFPAVACERVVRNTSNSEIESLHIHDLISGDRFEIKADVFVLTAGAVHNAQLLVNSGFGQLGRPDPANPPQLLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMIIRGNPGDLGYSVTYTPGAETNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPSHPWHTQIHRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKITDTYNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFMEPGLVLHLGGTHRMGFDEQEDKCCVNTDSRVFGFKNLFLGGCGNIPTAYGANPTLTAMSLAIKSCEYIKNNFTPSPFTDQAE,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0809219076239261,,s_a65237b33467b3d991176a6b,test
catpreddb_km_km_101faaffe6f8b5,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.9360107957152097,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_103af68af5337a,catpred_iteration1_km,km,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1,COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1,COc1ccc(C(=O)C(O)c2ccc(OC)cc2)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.4881166390211256,,s_1f8beb386de84deb2f180511,test
catpreddb_km_km_10708270f730a0,catpred_iteration1_km,km,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1>>,public_strict_iteration1_fulltrue_msa,,-1.337242168318426,,s_27531fb3688217415c49ec38,test
catpreddb_km_km_1071cd08e3eab1,catpred_iteration1_km,km,Q9ZS21,Q9ZS21,MAAEPKESPSNNPGLHTTPDEATKGYIMQQTMFRIKDPKVSLDFYSRVLGMSLLKRLDFPEMKFSLYFMGYENTAEAPSNPIDKVVWTFSQKATIELTHNWGTESDPEFKGYHNGNSEPRGFGHIGVTVDDTYKACERFQNLGVEFVKKPEDGKMKGIAFIKDPDGYWIEIFDRKTIGNVTQTAA,CC(=O)C(O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCCC=O,CC(=O)C(O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCCC=O,CC(=O)C(O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.939713034397075,,s_ca14e288fdf99ccf6b36bc00,test
catpreddb_km_km_10775feedfdba5,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_108024f70de03b,catpred_iteration1_km,km,E5G6H3,E5G6H3,MPSIKLNSGYDMPAVGFGCWKVDVDTCSEQIYRAIKTGYRLFDGAEDYANEKLVGAGVKKAIDEGIVKREDLFLTSKLWNNYHHPDNVEKALNRTLSDLQVDYVDLFLIHFPVTFKFVPLEEKYPPGFYCGKGDNFDYEDVPILETWKALEKLVKAGKIRSIGVSNFPGALLLDLLRGATIKPSVLQVEHHPYLQQPRLIEFAQSRGIAVTAYSSFGPQSFVELNQGRALNTSPLFENETIKAIAAKHGKSPAQVLLRWSSQRGIAIIPKSNTVPRLLENKDVNSFDLDEQDFADIAKLDINLRFNDPWDWDKIPIFV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.5892128658861224,,s_60502662e2d87e30116171f4,test
catpreddb_km_km_10a30ce855908f,catpred_iteration1_km,km,Q8BLE7,Q8BLE7,MESVKQRILAPGKEGIKNFAGKSLGQIYRVLEKKQDNRETIELTEDGKPLEVPEKKAPLCDCTCFGLPRRYIIAIMSGLGFCISFGIRCNLGVAIVDMVNNSTIHRGGKVIKEKAKFNWDPETVGMIHGSFFWGYIITQIPGGYIASRLAANRVFGAAILLTSTLNMLIPSAARVHYGCVIFVRILQGLVEGVTYPACHGIWSKWAPPLERSRLATTSFCGSYAGAVIAMPLAGILVQYTGWSSVFYVYGSFGMVWYMFWLLVSYESPAKHPTITDEERRYIEESIGESANLLGAMEKFKTPWRKFFTSMPVYAIIVANFCRSWTFYLLLISQPAYFEEVFGFEISKVGMLSAVPHLVMTIIVPIGGQIADFLRSKQILSTTTVRKIMNCGGFGMEATLLLVVGYSHTRGVAISFLVLAVGFSGFAISGFNVNHLDIAPRYASILMGISDGVGTLSGMVCPIIVGAMTKNKSREEWQYVFLIAALVHYGGVIFYALFASGEKQPWADPEETSEEKCGFIHEDELDEETGDITQNYINYGTTKSYGATSQENGGWPNGWEKKEEFVQEGAQDAYTYKDRDDYS,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_252454574b9575cd9f3d113f,test
catpreddb_km_km_10b21fb26893f2,catpred_iteration1_km,km,Q9XFX4,Q9XFX4,MGTPIKASLLALFLFFLLSPTAFSVSNGGLLRVGLKKRKVDRLDQLRAHGVHMLGNARKDFGFRRTLSDSGSGIVALTNDRDTAYYGEIGIGTPPQNFAVIFDTGSSDLWVPSTKCDTSLACVIHPRYDSGDSSTYKGNGTTASIQYGTGAIVGFYSQDSVEVGDLVVEHQDFIETTEEDDTVFLKSEFDGILGLGFQEISAGKAVPVWYNMVNQGLVEEAVFSFWLNRNVDEEEGGELVFGGVDPNHFRGNHTYVPVTRKGYWQFEMGDVLIGDKSSGFCAGGCAAIADSGTSFFAGPTAIITQINQAIGAKGVLNQQCKTLVGQYGKNMIQMLTSEVQPDKICSHMKLCTFDGAHDVRSMIESVVDKNNDKSSGGEICTFCEMALVRMQNEIKRNETEDNIINHVNEVCDQLPTSSAESIVDCNGISSMPNIAFTIGSKLFEVTPEQYIYKVGEGEAATCISGFTALDIMSPQGPIWILGDMFMGPYHTVFDYGKLRVGFAEAV,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)OC,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)OC,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)OC>>,public_strict_iteration1_fulltrue_msa,,-1.0915149811213505,,s_494edfccab5df5c67645574b,test
catpreddb_km_km_10bf353e724b70,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.1191864077192086,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_10c6afbf46d370,catpred_iteration1_km,km,Q0E4W0,Q0E4W0,MSNSLEALKATGTVIVTDTGEFESIAKYKPQDATTNPSLILAVSKKPEYAALVDAAAKAATGANAKEKASNALDILLVEFGTKILEIVPGRVSTEVDARLSFDKDATIKKALHIIELYKQKGISKDRVLIKIASTWEGIQAAAELEAKHGIHCNLTLLFSFVQAVTAAEAKATLISPFVGRILDWYKKSTGKTYESSEDPGVHSVKSIYNYYKKFGYDTIVMGASFRNTGEIKELAGVDYLTVSPALLEELVNSTEAVPKKLEKSQATSLDLEKVSYINDEAKFRFELNEDQMATEKLSEGIRKFAADAVTMLEELEKRVA,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2518119729937995,,s_8e95f7f6a44a08f359304c13,test
catpreddb_km_km_10cd751922981c,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_10daa316335ba7,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_10db03f5bd5d91,catpred_iteration1_km,km,A0A144KBQ0,A0A144KBQ0,WLNDPNGLVYYAGEYHLFYQYHPYGLQWGPMHWGHAVSKDLVTWEHLPVALYPDEKGTIFSGSAVVDKNNTSGFQTGKEKPLVAIYTQDREGHQVQSIAYSNDKGRTWTKYAGNPVIPNPGKKDFRDPKVFWYEKEKKWVMVLAAGDRILIYTSKNLKQWTYASEFGQDQGSHDGEWECP,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.8325089127062363,,s_bf770e8586b37ea66097b860,test
catpreddb_km_km_10f01915d3fb71,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CCCCCCCCCCCCCCCCCC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)[O-],CCCCCCCCCCCCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.121117218319471,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_10f28ceec0e1a6,catpred_iteration1_km,km,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@H](C)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](C)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](C)N)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.0222763947111522,,s_9cc6c1623917d877b3099a50,test
catpreddb_km_km_10f31de7944439,catpred_iteration1_km,km,Q4J8K9,Q4J8K9,MAKIYTDKDVSLDVIKEKRVAVLGYGSQGRAWALNLRDSGIKVSVGLEREGNSWKQAENDGFKPLRTEEAVRNSDIIIFLLPDMIQRTVYLERVKPYLKEGMDLVFAHGFNIHYRLIEPPSNVDVYMIAPKAPGPIVREYFAKGGGVPALVATYQDHSGKALQKALAVAKAIGATRAGVIETTFKEETETDLFGEQVDLVGGVMQLMRYAFQTLVEAGYQPEVAYFETINEMKLIVDLVYEKGFSGMLTAVSDTAKYGGMTVGKMVIDESVKERMKKALDNIRSGKFAEKWVEEYGKGANTIKEGMKEVDNSTEEKVGRSLRDIILRGKPKS,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-3.397940008672037,,s_10a36b526837be63a11d1b7f,test
catpreddb_km_km_10f3d8af3ddebc,catpred_iteration1_km,km,P76422,P76422,MKRINALTIAGTDPSGGAGIQADLKTFSALGAYGCSVITALVAQNTRGVQSVYRIEPDFVAAQLDSVFSDVRIDTTKIGMLAETDIVEAVAERLQRYQIQNVVLDTVMLAKSGDPLLSPSAVATLRSRLLPQVSLITPNLPEAAALLDAPHARTEQEMLEQGRSLLAMGCGAVLMKGGHLDDEQSPDWLFTREGEQRFTAPRIMTKNTHGTGCTLSAALAALRPRHTNWADTVQEAKSWLSSALAQADTLEVGHGIGPVHHFHAWW,Cc1ncc(CO)c(=N)[nH]1,Cc1ncc(CO)c(=N)[nH]1,Cc1ncc(CO)c(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.98296666070122,,s_4eeba747cc3fcec30cbea4f3,test
catpreddb_km_km_11125563fd5246,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1,Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1,Cc1c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-2.799696817018415,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_11194661e2111a,catpred_iteration1_km,km,O52250,O52250,MQTQILERMESDVRTYSRSFPVVFTKARNARLTDEEGREYIDFLAGAGTLNYGHNNPHLKQALLDYIDSDGIVHGLDFWTAAKRDYLETLEEVILKPRGLDYKVHLPGPTGTNAVEAAIRLARVAKGRHNIVSFTNGFHGVTMGALATTGNRKFREATGGVPTQAASFMPFDGYLGSSTDTLDYFEKLLGDKSGGLDVPAAVIVETVQGEGGINVAGLEWLKRLESICRANDILLIIDDIQAGCGRTGKFFSFEHAGITPDIVTNSKSLSGYGLPFAHVLMRPELDKWKPGQYNGTFRGFNLAFATAAAAMRKYWSDDTFERDVQRKARIVEERFGKIAAWLSENGIEASERGRGLMRGIDVGSGDIADKITHQAFENGLIIETSGQDGEVVKCLCPLTIPDEDLVEGLDILETSTKQAFS,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_180c32fe71f69cef4312d55e,test
catpreddb_km_km_113ee8edc600db,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-],CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-],CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_11581d350d057e,catpred_iteration1_km,km,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O=P(O)(O)OC[C@H](O)CO,O=P(O)(O)OC[C@H](O)CO,O=P(O)(O)OC[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_38095aa1b1ee0421254bd92b,test
catpreddb_km_km_116788ab996656,catpred_iteration1_km,km,Q2FYG6,Q2FYG6,MNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILSSQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKWDQTTAILTGNFLLALGLEHLMAVKDNRVHQLISESIVDVCRGELFQFQDQFNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYIGMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPILLEMRKNPDFKLKIEQLRRDSERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDGHPKSLLLSLTKKMGSRNT,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3872161432802643,,s_39ef35d84d6aced620f47c23,test
catpreddb_km_km_1173bc139aad16,catpred_iteration1_km,km,Q9UV63,Q9UV63,MSTPHHQFESKSSTAIRRRLSSSVSSKQRPNIMTTTFASLTPMWAGVAGTLVNNNTQYEIAVTVHDGVYSTDFASVIIPVTPGDTVKNSKDIEAQVLNLIRKFSAEHLCKFLGAGITLALLKECPNLCTRLWLDMDIVPIVFNIKPFHTDSVTRPNIKHRISSTTGSYVPSGSETPTVYVEASHLGDPSHLSPNAAQKLPIPRTLDEQSDSAARKCLMYFGPNNNPRLSIGARNPVTVDAGGKIHLIDDLEEYRMTVGAGTWNAVIKLADELREKKVKIGFFSSTPQGGGVALMRHALIRFLTALDVDVAWYVPNPSPQVFRTTKNNHNILQGVAAPDLRLTQEAKDAFDAWILKNGLRWTAEGGPLAPGGVDVVFIDDPQMPGLIPLIKKVRPEVPIVYRSHIEIRNDLVHVAWSPQEEVWKYLWNNIQLADLFISHPVSKFVPSDVPTEKLALLGAATDWLDGLNKDLDPWDSPFYMGEFRPRGSHLNRGEFRSLCAKEKMHELNWPARDYIVQVARFDPSKGIPNVVDSYYKFRNLLRTRSPDMDESEHPQLLICGHGAVDDPDASIIYDQIMALVNSDPYKEYAHDIVVMRLPPSDELLNAMMANSRIALQLSTREGFEVKVSEALHTGKPVIACRTGGIPLQIQHGKSGYLTTPGEKDAVAGHFYDFYTDEALYRKMSDFARTHVSNEVGTVGNAAAWLYLAVMYSRGEKIKPNGAWINDFFREETGEPYKEGETKLPRTKLDMQG,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.8739015978644613,,s_8e77aca779535730bf6822e5,test
catpreddb_km_km_118613201a121a,catpred_iteration1_km,km,P20456,P20456,MADPWQECMDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEKMLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGFPFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQEDITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCLVAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIASSNKTLAERIAKEIQIIPLQRDDED,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.7646221418413992,,s_835376cafd645d9f967b285e,test
catpreddb_km_km_118d9584535a74,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-4.698970004336019,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_119b4c52c46fa3,catpred_iteration1_km,km,A0A097APA2,A0A097APA2,MAKVMKTMDGNTAAAHVAYAFTEVAAIYPITPSSPMAELIDQWSAHGRKNIFGQPVKVIEMQSEAGAAGAVHGSLAAGALTTTFTASQGLLLMIPNMYKIAGELLPGVFHVSARAVATHALSIFGDHSDVMACRQTGFAMLASGSVQEVMDLASVAHLSAIKGRVPFLHFFDGFRTSHEVQKIEVLDYEDLKKLVDYDALKAFRERALNPERPVIRGTAQNPDIFFQGREAANRFYNALPEVVEYYMNEISKLTGREYKLFNYYGAPDAERIIIAMGSVTETIEETVDYLMKKGEKVGVVKVHLYRPFSIKHFLDVIPKTVKKIAVLDRTKEPGSIGEPLYEDVKTAFFDSELRPVIVGGRYGLGSKDTTPAQIIAVFDNLKADEPKDHFTIGIIDDVTFTSLPVGEEVDTTPEGTTSCKFWGFGSDGTVGANKSAIKIIGDNTDLYVQAYFSYDSKKSGGVTVSHLRFGKKLIRSTYLINKADFIACHKQSYVYNYDILGIAVDVPEWQIDNCIQCNQCAFVCPHAAIRPFLLTEEEVKNAPEGFKVKKAIGKGFEGLYYRIQVSVLDCTGCGVCVNECPAKEKALVMKPLEIQMEEAKNWEYAMTLSPKENPMNKETVKGSQFERPLLEFSGACAGCGETPYAKLVTQLFGDRMMIANATGCSSIWGASAPSTPYCTNHEGKGPAWANSLFEDNAEFGLGMALAVKQQRAKLADIVKELLELNITAELKEALQFWLDNMMDGKKSKEATIKLLPILQNYKAEDAKVKELINKVLERKDYLIKKSQWIFGGDGWAYDIGYGGLDHVLASGEDINVLVFDTEVYSNTGGQSSKATPVGAVAQFAAAGKPIGKKDLGRMAMTYGYVYVAQVAMGASQTQLVKALVEAESYPGPSLIIAYAPCIAHGIKQGMSCSQLEEKKAVEAGYWVLYRYNPLLKKEGKNPFILDSKPPKLSVQDFLKGEVRFSALEKTFPERAQKLFEEAEKQAQERYKIYEKLAKDE,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_28dac2be3ba624348740b7dc,test
catpreddb_km_km_119e33c681e940,catpred_iteration1_km,km,P06869,P06869,MKVWLASLFLCALVVKNSEGGSVLGAPDESNCGCQNGGVCVSYKYFSRIRRCSCPRKFQGEHCEIDASKTCYHGNGDSYRGKANTDTKGRPCLAWNAPAVLQKPYNAHRPDAISLGLGKHNYCRNPDNQKRPWCYVQIGLRQFVQECMVHDCSLSKKPSSSVDQQGFQCGQKALRPRFKIVGGEFTEVENQPWFAAIYQKNKGGSPPSFKCGGSLISPCWVASAAHCFIQLPKKENYVVYLGQSKESSYNPGEMKFEVEQLILHEYYREDSLAYHNDIALLKIRTSTGQCAQPSRSIQTICLPPRFTDAPFGSDCEITGFGKESESDYLYPKNLKMSVVKLVSHEQCMQPHYYGSEINYKMLCAADPEWKTDSCKGDSGGPLICNIEGRPTLSGIVSWGRGCAEKNKPGVYTRVSHFLDWIQSHIGEEKGLAF,N=C(N)NCCC[C@H](N=C(O)CN=C(O)[C@@H]1CCC(O)=N1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)CN=C(O)[C@@H]1CCC(O)=N1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)CN=C(O)[C@@H]1CCC(O)=N1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_e2b6696ab961a4030c8eb8e3,test
catpreddb_km_km_11b31950187cf9,catpred_iteration1_km,km,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4582593340357083,,s_08e94d00e198158ed1db5b76,test
catpreddb_km_km_11ca803e18754a,catpred_iteration1_km,km,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_11e3bec89961be,catpred_iteration1_km,km,G1C2I2,G1C2I2,MAAPFDKSKNVAQSIDQLIGQTPALYLNKLNNTKAKVVLKMECENPMASVKDRLGFAIYDKAEKEGKLIPGKSIVVESSSGNTGVSLAHLGAIRGYKVIITMPESMSLERRCLLRIFGAEVILTPAALGMKGAVAMAKKIVAANPNAVLADQFATKYNALIHEETTGPEIWEQTNHNVDCFIAGVGTGGTLTGVARALKKMGSHARIVAVEPTESPVLSGGKPGPHKIQGIGPGFVPDVLDRSLIDEVLCVAGDDAIETALKLTRSDGVFCGFSGGANVYAALKIAERPEMEGKTIVTVIPSFGERYLSTTLYRSVRDEVSSLPV,S,S,S>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_62cea0c4000cff75d7bf84f5,test
catpreddb_km_km_11ef96c22e1e03,catpred_iteration1_km,km,P14299,P14299,MKDMGEDRPGIGHSTNLVGLPTDLLASAWFNQAAPEIHIAGVREMNRSLFEMLAEAPDLESAGEAFYKYMIAMFGLDPEQQDHRPGQGGAVRRFHASYLRLLKGWGYDTNAKEGAVLKGWVESRFGLFPTFHREPITKFASKAWITYIEEKMTSRFHNNSIYVQLDLMYEFCQWALARFAAPGESALLLYRGVNDFTEHQMIERIDNRQVVVRMNNLVSFSSDRGVADCFGDTILETRVPVSKIVFFNTLLTSHPLKGEGEYLVIGGDYLVKASYL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.1813560147834252,,s_5e9f31e94fc9501b6ba74821,test
catpreddb_km_km_122d014ec7debc,catpred_iteration1_km,km,Q3S559,Q3S559,MSRTQHAITVLGAGKIGFAIALLLQRTGDYAVCVADQDPSRLDAVAALGCQTAQIDNDAALEAAIAGRHAVLNALPFHRAVAVAGLCARLGVHYFDLTEDVASTHAIHALGRDARAVLMPQCGLAPGFIGIVGNDLARRFDTLLDLRMRVGGLPRYPTNALRYNLYLEHRGADQRVLQSMRGAVDGELVKVPPMEGYETFTLDGVEYEAFNTSGGLGTLPQTLLGKARNVDYKSVRYPGHCAIMKLLLNDLRLRERRELLQDILESAIPATGQDVIVILATASGYRGGRLLQEAYSAHIHGDTVDGHALSAIQLSTAAGICTALDLVVEGALPQRGFVGQESIPLDALLANRHGRIYAGQRLDALLAA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_53eefbb9d536a41e42f82fd0,test
catpreddb_km_km_123e1d5d8b3e77,catpred_iteration1_km,km,Q4JDH2,Q4JDH2,MSVIRVTDLDLKGKRVLIRADLNVPVKDGKVTSDARISASMGTIDYCLKQGGKVMVTSHLGRPEEGVWTGENSLKPVADNISERLGKPVRLVKDWVDGNFDVAEGELVILENCRFNKGEKKNADETAQKYARLCDVFVMDAFGTAHRAEASTYGIARYAPVACASILLTEELDALTRALLDPARPMVAIVGGSKVSTKLTVLESLSEKVDQLVVGGGIASTFLKAAGKNVGKSLCEDDLVPTAKMLMEKMAKRNATIPIAVDVVVGKKFDASEPAVLKDAGAVTDDDMIFDVGPKSARELSDIIMKAGTVVWNGPVGVFEFDQFGAGTKTIAMAIAHTKAFTLAGGGDTIAAIQKYDIYDKVSYISTAGGAFLEFLEGKKLPAVEILEQRAQ,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1426675035687315,,s_8f65b07c1f04160f520ff6b0,test
catpreddb_km_km_12534f7bfdf7d3,catpred_iteration1_km,km,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.5128616245228135,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_125bcc529531d6,catpred_iteration1_km,km,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.5337023265384463,,s_3922a407c453485de3311bb6,test
catpreddb_km_km_12606b4bb7f4bf,catpred_iteration1_km,km,Q7WT42,Q7WT42,MAKKDEKSHKNAPLIGIDIGGTGIKGGIVDLKKGKLLGERFRVPTPQPATPESVAEAVALVVAELSARPEAPAAGSPVGVTFPGIIQHGVVHSAANVDKSWLNTDIDALLTARLGRPVEVINDADAAGLAEARYGAGAGVKGTVLVITLGTGIGSAFIFDGKLVPNAELGHLEIDGHDAETKASAVARERDGLSWDEYSVLLQRYFSHVEFLFSPELFIVGGGISKRADEYLPNLRLRTPIVPAVLRNEAGIVGAAIEIALQHKLAK,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_c93f37d836e08bd4e4249043,test
catpreddb_km_km_126104b34f414c,catpred_iteration1_km,km,P16303,P16303,MRLYPLVWLFLAACTAWGYPSSPPVVNTVKGKVLGKYVNLEGFAQPVAVFLGIPFAKPPLGSLRFAPPQPAEPWNFVKNTTSYPPMCSQDAVGGQVLSELFTNRKENIPLQFSEDCLYLNVYTPADLTKNSRLPVMVWIHGGGLVVGGASTYDGQVLSAHENVVVVTIQYRLGIWGFFSTGDEHSQGNWGHLDQVAALHWVQDNIANFGGNPGSVTIFGESAGGFSVSALVLSPLAKNLFHRAISESGVVLTSALITTDSKPIANLIATLSGCKTTTSAVMVHCLRQKTEDELLETSLKLNLFKLDLLGNPKESYPFLPTVIDGVVLPKTPEEILAEKSFNTVPYIVGINKQEFGWIIPTLMGYPLSEGKLDQKTAKSLLWKSYPTLKISEKMIPVVAEKYFGGTDDPAKRKDLFQDLVADVMFGVPSVMVSRSHRDAGAPTFMYEFEYRPSFVSAMRPKTVIGDHGDELFSVFGSPFLKDGASEEETNLSKMVMKYWANFARNGNPNGGGLPHWPEYDQKEGYLKIGASTQAAQRLKDKEVAFWSELRAKEAAEEPSHWKHVEL,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.0655015487564323,,s_7e31156bec58f136315549ae,test
catpreddb_km_km_1273998b213146,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.4436974992327127,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_12803e5e4b846f,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-3.1739251972991736,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_12988709b553dc,catpred_iteration1_km,km,Q9SPU3,Q9SPU3,MNVTMHSKKLLKPSIPTPNHLQKLNLSLLDQIQIPFYVGLIFHYETLSDNSDITLSKLESSLSETLTLYYHVAGRYNGTDCVIECNDQGIGYVETAFDVELHQFLLGEESNNLDLLVGLSGFLSETETPPLAAIQLNMFKCGGLVIGAQFNHIIGDMFTMSTFMNSWAKACRVGIKEVAHPTFGLAPLMPSAKVLNIPPPPSFEGVKFVSKRFVFHENALTRLRKEATEEDGDGDDDQKKKRPSRVDLVTAFLSKSLIEMDCAPKELTKSRPSLMVHMMNLRKRTKLALENDVSGNFFIVVNAESKITVAPKITDLTESLGSACGEIISEVAKVDDAEVVSSMVLNSVREFYYEWGKGEKNVFVYSSWCRFPLYEVDFGWGIPSLVDTTAFPFGLIVLMDEAPAGDGIAVRACLSEHDMIQFQQHHQLLSYVS,OCc1ccccc1,OCc1ccccc1,OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_48881929827267cc8d707d69,test
catpreddb_km_km_129aeb7465b473,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.599883072073688,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_12b0182ed663ec,catpred_iteration1_km,km,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.136677139879544,,s_b7052409576ea9e57f9adba3,test
catpreddb_km_km_12b6ffeabc94ed,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CCC=O,CCC=O,CCC=O>>,public_strict_iteration1_fulltrue_msa,,0.6126546408629314,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_12cebedc6bd0f2,catpred_iteration1_km,km,M4I1C6,M4I1C6,MGNETVVVAETAGSIKVAVVVCLLRGQNVLLGRRRSSLGDSTFSLPSGHLEFGESFEECAARELKEETDLDIGKIELLTVTNNLFLDEAKPSQYVAVFMRAVLADPRQEPQNIEPEFCDGWGWYEWDNLPKPLFWPLDNVVQDGFNPFPT,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.8538719643217614,,s_2822b67b5d5cb0c5e995b9cf,test
catpreddb_km_km_12e6b810480b7b,catpred_iteration1_km,km,Q27705,Q27705,MLSSSHLPTTIVTPKNVPTLGVLVGGGPAPGINGVIGAVTIEAINNGYRVLGFLEGFQNLILQDDSKIVELTIDSVSRIHFEGGSILKTSRANPTKKQEDLQKVVKQLQKFNVSLLVTIGGDDTAFSSMSVAKAANNEIHVVTLPKTIDNDLPLPYGIPTFGYETAREFGANVVRNLMTDASTASRYFIVVAMGRQAGHLALGIGKSAGSHLTLIPEEFLPTTDSTEPEVTFSRICDMIEASIIKRLYTSKKDHGVIVLAEGLLEYMSTDELKQAFGSSLKYDAHDHIMLAELDFGRLVRDEMRERMNRRGLKIAFTEKNLGYELRCAPPNAFDREYTRDLGNGAVRYLLNGGNGALITVQGVKMVPLSFDDLKDPRTGKTRTRQVDVSSEGFQVAKRYMIRLEKKDFEKEETLKGLAATAKCSVEDFIKQFKYLVQ,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2291479883578558,,s_009bffb5a8febe1432335e9c,test
catpreddb_km_km_12ebcd24ac3c33,catpred_iteration1_km,km,P07920,P07920,MENFPIINLEKLNGAERVATMEKINDACENWGFFELVNHGIPHEVMDTVEKLTKGHYKKCMEQRFKELVAKKGLEGVEVEVTDMDWESTFFLRHLPSSNISQLPDLDDVYREVMRDFRKRLEKLAEELLDLLCENLGLEKSYLKNTFYGSKGPNFGTKVSNYPPCPKPDLIKGLRAHTDAGGIILLFQDDKVSGLQLLKDGRWIDVPPMRHSIVVNLGDQLEVITNGKYKSVMHRVIAQKDGTRMSLASFYNPGNDALIYPAPALVDKEAEEHNKQVYPKFMFDDYMKLYANLKFQAKEPRFEAMKAMESDPIAIA,NC1(C(=O)O)CC1,NC1(C(=O)O)CC1,NC1(C(=O)O)CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7292103780267096,,s_9f90df7cd99fe54b4ea6f53b,test
catpreddb_km_km_12fdd4b311f789,catpred_iteration1_km,km,Q07794,Q07794,MSLNDFLSSVLPVSEQFEYLSLQSIPLETHAVVTPNKDDKRVPKSTIKTQHFFSLFHQGKVFFSLEVYVYVTLWDEADAERLIFVSKADTNGYCNTRVSVRDITKIILEFILSIDPNYYLQKVKPAIRSYKKISPELISAASTPARTLRILARRLKQSGSTVLKEIESPRFQQDLYLSFTCPREILTKICLFTRPASQYLFPDSSKNSKKHILNGEELMKWWGFILDRLLIECFQNDTQAKLRIPGEDPARVRSYLRGMKYPLWQVGDIFTSKENSLAVYNIPLFPDDPKARFIHQLAEEDRLLKVSLSSFWIELQERQEFKLSVTSSVMGISGYSLATPSLFPSSADVIVPKSRKQFRAIKKYITGEEYDTEEGAIEAFTNIRDFLLLRMATNLQSLTGKREHRERNQPVPASNINTLAITMLKPRKKAKALPKT,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.522878745280338,,s_94c8ad01629519c8c82979ff,test
catpreddb_km_km_13088caa9b33da,catpred_iteration1_km,km,A4V929,A4V929,MNITIIGSGPAGVYSAIVSAKLGNKVKLVEKNDKLGGTCVLYGCIPSKAMLHPLFLKYLAEETGKKLNFSFSEIQKKLQKNVVNRLSKGVEYMLESYGIEVIHGKAQLKGGNIQVGGQTIPSVKIIVATGTEKPQIEGTIASDDLPYLDKEFSKVLVIGGGAGGVEYAWLLKMSGKDVSIVEKSDSLLPYLDEDLKKAVSAYFKKIGIKLYLSSEITLGDKPRIGNEELPQPDIILYTFGRKPALDGFEELPHEKWIKVDKRMYTGVNNIYAAGDITGTFTAHEAIHEGFIAGLNASGVEKYYNPEAVPKVIYTEPQIAYVGNTKGKCVKINMAEIPRAIAEGLTEGFLKVCTEGKKITGAVAFSHDAENIITLISMFINYGIEIDKAIDFIEPHPSYLEAVFEALLRLNS,N=C(O)CCCCC1CCSS1,N=C(O)CCCCC1CCSS1,N=C(O)CCCCC1CCSS1>>,public_strict_iteration1_fulltrue_msa,,0.1003705451175629,,s_d9a1cc84bf8d687ec7e38e60,test
catpreddb_km_km_13100578f81226,catpred_iteration1_km,km,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,COc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@@H]3O[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H]2O)ccc1O,COc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@@H]3O[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H]2O)ccc1O,COc1cc(/C=C/C(=O)O[C@H]2[C@H](OC[C@@H]3O[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@@H]2O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3372421683184259,,s_c30215f5949a041d7b73c98a,test
catpreddb_km_km_1317e613a25230,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-3.161150909262745,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_1334991e25627b,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,CCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCOS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0132282657337552,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_13464a72a4918c,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2855966557796581,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_13531304dea709,catpred_iteration1_km,km,D6XZ22,D6XZ22,MHEIGEHLTTNTGWDIIKNRYEAAQAITEGSNFMIGNGFMGYRGTFAEDGKDAYAACIVTDTWDKADGKWEELSTVPNALLTLLHVDGEPFIMSEEAASFERTLDLSQGVTSRKVSQRMKNGATITIHEEKFASYRKKHAVLMKYTVESDQDTDAVLDTGIDYDVWSINGDHLQGHHYFSHPTGDGVTAKTVSYEDTVTVVETCSLDADASEEDYQNPDGSGRTFSLSLEAGKPVTLEKAMIIYSSNDVDNPQDEALLEAKHMQSYEEEKAANRLEWDNLWSHYDVTIQNNIIDQVALRFNIYHAIIATPVHKSLPIGARGLSCQAYQGAAFWDQEIYNMPMYLYSNPEIARNILKYRHRTLDGARRKAKRLGYEGAYYAWISGKTGDELCPDFFFKDVLSGRDIRNHFNDWQIHISPDIAYAVKKYHQVTGDDAFIRDYGAEMIFEIARFLASHAVYKPMRGRYEFMRVQGPDEYHENVDNNAFTNHQAMFTLQAADELLQTLDEKTLSAVKEKIGLSDDEISLWRDMLANTYVPKPDKHGIIEQFDGYYDLETIIPAKKVTERLIKEDEYYGYPNGVTVRTQCIKQADVIQLFVLHPHLYDRKTVELNYEFYEPRTLHFSSLSPSSYAIVAAQIDKVEEAYRNFRKSVMIDLLNTNEAVSGGTFIGGIHTAANGASWQMVVNGFGGLSVHGDDIHLSPRLPDAWDGYTFKAIVKGQTLEVDVTKEQITITNKSEDRKPLTLHIFGEKSVLDSERITKSR,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3467874862246563,,s_a552d0eac025e054561f5816,test
catpreddb_km_km_1359c6de8e0aec,catpred_iteration1_km,km,P42785,P42785,MGRRALLLLLLSFLAPWATIALRPALRALGSLHLPTNPTSLPAVAKNYSVLYFQQKVDHFGFNTVKTFNQRYLVADKYWKKNGGSILFYTGNEGDIIWFCNNTGFMWDVAEELKAMLVFAEHRYYGESLPFGDNSFKDSRHLNFLTSEQALADFAELIKHLKRTIPGAENQPVIAIGGSYGGMLAAWFRMKYPHMVVGALAASAPIWQFEDLVPCGVFMKIVTTDFRKSGPHCSESIHRSWDAINRLSNTGSGLQWLTGALHLCSPLTSQDIQHLKDWISETWVNLAMVDYPYASNFLQPLPAWPIKVVCQYLKNPNVSDSLLLQNIFQALNVYYNYSGQVKCLNISETATSSLGTLGWSYQACTEVVMPFCTNGVDDMFEPHSWNLKELSDDCFQQWGVRPRPSWITTMYGGKNISSHTNIVFSNGELDPWSGGGVTKDITDTLVAVTISEGAHHLDLRTKNALDPMSVLLARSLEVRHMKNWIRDFYDSAGKQH,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)Oc1ccccc1)C(=O)O,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)Oc1ccccc1)C(=O)O,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)Oc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6720978579357175,,s_8b3636c2da078c826d1a1418,test
catpreddb_km_km_13653b85e9be81,catpred_iteration1_km,km,Q9LDV4,Q9LDV4,MRRFLINQAKGLVDHSRRQHHHKSPSFLSPQPRPLASSPPALSRFFSSTSEMSASDSTSSLPVTLDSINPKVLKCEYAVRGEIVNIAQKLQEDLKTNKDAYPFDEIIYCNIGNPQSLGQLPIKFFREVLALCDHASLLDESETHGLFSTDSIDRAWRILDHIPGRATGAYSHSQGIKGLRDVIAAGIEARDGFPADPNDIFLTDGASPAVHMMMQLLLSSEKDGILSPIPQYPLYSASIALHGGSLVPYYLDEATGWGLEISDLKKQLEEARSKGISVRALVVINPGNPTGQVLAEENQRDIVNFCKQEGLVLLADEVYQENVYVPDKKFHSFKKVARSLGYGEKDISLVSFQSVSKGYYGECGKRGGYMEVTGFTSDVREQIYKMASVNLCSNISGQILASLVMSPPKPGDDSYDSYMAERDGILSSMAKRAKTLEDALNSLEGVTCNRAEGAMYLFPRINLPQKAIEAAEAEKTAPDAFYCKRLLNATGVVVVPGSGFGQVPGTWHFRCTILPQEDKIPAIVNRLTEFHKSFMDEFRN,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7075701760979364,,s_66aaf18e02944085544f36fc,test
catpreddb_km_km_1365edfd388ae3,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-0.248676852338013,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_13711d545c5bce,catpred_iteration1_km,km,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.2960066693136725,,s_05faba509306d0ae6d9f3eea,test
catpreddb_km_km_1371d32aae3e91,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.6270879970298935,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_1379fc2dec7360,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(O)=NC(Cc1ccc(O)cc1)C(O)=NC(C(O)=NC(O)C(=O)O)C(C)C,CC(O)=NC(Cc1ccc(O)cc1)C(O)=NC(C(O)=NC(O)C(=O)O)C(C)C,CC(O)=NC(Cc1ccc(O)cc1)C(O)=NC(C(O)=NC(O)C(=O)O)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_1381265819afec,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_13833591dfb3f6,catpred_iteration1_km,km,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,COC(=O)CCC(=O)C(N)=O,COC(=O)CCC(=O)C(N)=O,COC(=O)CCC(=O)C(N)=O>>,public_strict_iteration1_fulltrue_msa,,-1.9208187539523751,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_km_km_1385fc8cca4b11,catpred_iteration1_km,km,A0A0D4C3L0,A0A0D4C3L0,MGYEKSGYRESDGIYDSSFPSIPTPRDIDVTTYCIFQQQYGDRVALIDAVTGAKLTYSELRSAIDSVAAGLAQSGVKQGDVVMICMPNSIHWPILLFGSLRIGAVVTTANPVGNVQEIGRQAKDSRTAYLITVPELCGKLASLNIPLVLNDMDSLGNKKQFHGAAFARFSELLKADRKKVPQVRIKEKDTATLLYSSGTTGASKGVILTHLNLVESINQRMVADPRSFQVAEEVQIYGVIIPLFHVMGMMAICMPTLRKGDQMVVFPKFDLAEMLGAVQRFRITGLALVPPILVLLSKSPLVEKYDLSSLQLIGFGAAPAGDLSGVSKRFRGVYLRQGYGMTETASSGTGVPLEDVDYANKHNSCGLLVPNMQAKVVDVLTGKPLPPGKEGELWLRGLNVMKGYLNNEKATAETLDKDGWLHTGDLAKIDERGFVYIVDRLKELIKYKGFQVAPAELESILLSHSDIMDAAVVPFPDEEAGEIPVAFVVRRPGTTLTGNSIMEFVASKVSPYKKIRRVIFVDTIPKLESGKILRKELKSKLLPSSKL,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6800615600196914,,s_a0b0bb48fa1855371fae3dab,test
catpreddb_km_km_138db2d1552cd4,catpred_iteration1_km,km,Q9MYU4,Q9MYU4,MEDRRESELKTFCSKNILVILGFSSIIAVIALLALGLTQNKPLPENVKFGIVLDAGSSHTSLYIYKWPAEKENDTGVVSQVEECKLKGPGISEFAKKLGEIDIYLEACMERARTVVPKSQHAETPVYLGATAGMRLLRMKNENLASKILSTVAESITRYPFDFQGARIITGQEEGAYGWITINYLLDKFIQKSGWFNLKPRKGDTQETYGALDLGGASTQITFVPQNQVLESPENTLHFRLYGKNYSVYTHSFLCYGKDQALLQKLTKDLKNTNGTIHEPCFHSGYQRRMNVSHLYEAPCTRRFLTSLPFPELEIQGTGDFQKCQQSIRPLFNTSYCPYSRCSFDGVFLPLPQGDFAAFSAFYYVMGFLNLTSEEGSFQSKVTSTLEAFCSRPWAELQMYFGDVKEKYLSEYCFSGTYILTLLLSGYHFTAETWKNIHFMGKVQSTSVGWTLGYMLNLTNMIPSEEPSSTRLSHSTYVFLMVLFSLILVIVVIIGLFVCHRPSYFWKDMV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.4976885632825063,,s_9a0e07b7012bc1cc9b27b550,test
catpreddb_km_km_13950c57c7be42,catpred_iteration1_km,km,Q9AE70,Q9AE70,MTLKGKTALVTGSTSGIGLGIAQVLARAGANIVLNGFGDPAPALAEIARHGVKAVHHPADLSDVAQIEALFALAEREFGGVDILVNNAGIQHVAPVEQFPLESWDKIIALNLSAVFHGTRLALPGMRARNWGRIINIASVHGLVGSTGKAAYVAAKHGVVGLTKVVGLETATSNVTCNAICPGWVLTPLVQKQIDDRAANGGDPLQAQHDLLAEKQPSLAFVTPEHLGELVLFLCSEAGSQVRGAAWNVDGGWLAQ,C[C@@H](O)CC(=O)O,C[C@@H](O)CC(=O)O,C[C@@H](O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0228787452803375,,s_3d3d5d951341d2362831d124,test
catpreddb_km_km_139660cc74d368,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O,N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O,N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1487416512809247,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_139fbbed0094ff,catpred_iteration1_km,km,Q3S559,Q3S559,MSRTQHAITVLGAGKIGFAIALLLQRTGDYAVCVADQDPSRLDAVAALGCQTAQIDNDAALEAAIAGRHAVLNALPFHRAVAVAGLCARLGVHYFDLTEDVASTHAIHALGRDARAVLMPQCGLAPGFIGIVGNDLARRFDTLLDLRMRVGGLPRYPTNALRYNLYLEHRGADQRVLQSMRGAVDGELVKVPPMEGYETFTLDGVEYEAFNTSGGLGTLPQTLLGKARNVDYKSVRYPGHCAIMKLLLNDLRLRERRELLQDILESAIPATGQDVIVILATASGYRGGRLLQEAYSAHIHGDTVDGHALSAIQLSTAAGICTALDLVVEGALPQRGFVGQESIPLDALLANRHGRIYAGQRLDALLAA,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6989700043360189,,s_53eefbb9d536a41e42f82fd0,test
catpreddb_km_km_13ceff5b202bf0,catpred_iteration1_km,km,O63067,O63067,MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0118833609788743,,s_d215edcf3d0b04ec0a52bce0,test
catpreddb_km_km_13dc144d32d122,catpred_iteration1_km,km,A0A9E6E518,A0A9E6E518,MSEMTLYGYWRSSAAYRVRIALNLKQLPYEQRSIHLVNNGGEQHSVQFQSLNASELVPVLIDGSVRLNQSLAIIDYLDEQYPSYLLTPLETQSRFLVKALAQDIAVDIHPINNLRVLQYLSNELSVDEAQKSRWYRHWINVGFHSLEKKLSETHGAYCVGDEISLVDVCLVPQVYNAERFSVDLDRYPIIQKVTVSLCRHPAFIAAAPENQPDAVAS,O=C(O)/C=C\C=C\C(=O)C(=O)O,O=C(O)/C=C\C=C\C(=O)C(=O)O,O=C(O)/C=C\C=C\C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.505149978319906,,s_d3d474a7bb6454c732e4921f,test
catpreddb_km_km_13e5a49d5ababb,catpred_iteration1_km,km,P58795,P58795,MTKVLVLYYSSYGHIETMAYAVAEGVESTGAEAVVKRVPELVPEEVAKSSHFKMDQPAPVATVDELAEYDAIIVGAGTRFGTVASQMRNFWDQTGGLWFSGKLVGKVGSAFTSSATQHGGQESTILGFIPTFLHHGMAVVGLPYAFQGQMGVDEIKGGSPYGASTITDGDGSRQPSAIELDAARYQGAHVAKLAAKLSA,O=C1C=CC(=O)C=C1,O=C1C=CC(=O)C=C1,O=C1C=CC(=O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_4c96caaf4c01798e4214903b,test
catpreddb_km_km_13e66060195108,catpred_iteration1_km,km,O04862,O04862,MSILKCLGVRGNQLCAARNYLKVLGFSSFHTAPNSSIEIQTQDEEVVIALGSNVGDRLHNFKEALKLMRKSGIHITRHASLYETAPAYVTDQPRFLNSAVRADTKLGPHELLAALKRIEKDMGRTDGIRYGPRPIDLDILFYGKFKVRSDILTVPHERIWERPFVMAPLMDLLGTAIDSDTVASWHSFSGHSGGLNALWEKLGGESLIGEEGMYRVMPVANGLLDWSRRTLVMGILNLTPDSFSDGGNFQSVKSAVSQARLMISEGADIIDIGAQSTRPMASRISAEEELGRLIPVLEAVMSIPEVEGKLISVDTFYSEVALEAVRKGAHIINDVSAGKLDASMFKVMAELDVPYVAMHMRGDPSTMQDSENLKYDNVCKDISSELYSRVREAEISGIPAWRIIMDPGIGFSKKTEDNLAALTGIPDIREEISKRSLAISHAPILIGPSRKRFLGEICSRPSAVDRDPATIASVTAGVLCGANIVRVHNVKDNLDAVKLCDAILKQKSSPIKFKQ,Nc1nc(O)c2c(n1)NCC(CO)=N2,Nc1nc(O)c2c(n1)NCC(CO)=N2,Nc1nc(O)c2c(n1)NCC(CO)=N2>>,public_strict_iteration1_fulltrue_msa,,-2.8494850021680094,,s_21cb6f464fcfeed0526f89c7,test
catpreddb_km_km_13eb446058c047,catpred_iteration1_km,km,A0A1E1FNX1,A0A1E1FNX1,MLRRASLPHRKTTRRSFVAAALLLAFAAPAAPAVAADSPGRSAVESPAPTTRQPLGTKTLHLVDTSRPDPWKPSAGHRELMVSLWYPALPSRSDRAPYMSAALSKAMLGSEVLSGVRTHAVAGARPAPVARPLVVLSPGFQMSRLTLTALGEDLASRGYAVAALDHTYEAPVEFPGGRVEPCLICEKPDLNAVVRNRAQDIRFLLDRLTGPGGELRVDRHRIAVVGHSIGGASAVETMREDPRVGAAVNLDGDFFLDPPAKGLNRPVLLLGAQRGRDTEDSRGDWERNWPHLTGWKRWLDVPDGGHMTFTDVPWIVDRFGRPAQIPPEQVPGQFGTLGGARATALTRAYVAAFLDRQLRGRPSPLLDRPSTAYPEVTILK,COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1,COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1,COC(=O)/C=C/c1cc(OC)c(O)c(OC)c1>>,public_strict_iteration1_fulltrue_msa,,0.2121876044039577,,s_11303bbb87beaeedd47209d2,test
catpreddb_km_km_13fbf26c62452b,catpred_iteration1_km,km,P52196,P52196,MVHQVLYRALVSTKWLAESIRSGRLGPSLRVLDASWYSPGTRQARKEYQERHVPGASFFDIEECRDTTSPYEMMLPSEAHFGDYVGNLGISNDTHVVVYDGDDLGSFYAPRVWWMFRVFGHRTVSVLNGGFRNWLKEGHPVTSEPSRPEPAVFKATLNLSLLKTYEQVLENLQSKRFQLVDSRAQGRYLGTQPEPDIVGLDSGHIRGSVNMPFMDFLTKDGFEKSPEELRAIFQDKKVDLSQPLIATCRKGVTACHVALAAYLCGKPDVAVYDGSWSEWFRRAPPETRVSQGKSGKA,[C-]#N,[C-]#N,[C-]#N>>,public_strict_iteration1_fulltrue_msa,,0.3666655051033192,,s_a150731891839dd7a59cb2dd,test
catpreddb_km_km_13fefaa389f6ff,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3csc(=N)[nH]3)[C@H]2SC1,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3csc(=N)[nH]3)[C@H]2SC1,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3csc(=N)[nH]3)[C@H]2SC1>>,public_strict_iteration1_fulltrue_msa,,-1.259637310505756,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_1412c8f455086f,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_1413bc39f6fd64,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)[C@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.2041199826559248,,s_27293a9716281920c2a47964,test
catpreddb_km_km_141c1b56f86441,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1>>,public_strict_iteration1_fulltrue_msa,,1.7032700902169775,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_141d5483454f2e,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6232492903979004,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_142ae4d4edada8,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,C[C@@](O)(CC(=O)O)C(=O)O,C[C@@](O)(CC(=O)O)C(=O)O,C[C@@](O)(CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_14319507a4a974,catpred_iteration1_km,km,A0A0V3XMN6,A0A0V3XMN6,MHKVKLAAITCELPARSYENDDPVFAAVPDLSESWWQFWGVNRRGYFDPRNGENEFSLVVRAAERLLRSSDTAPDSVDMLICSASSPIMTDAGDVLPDLRGRLYPRMANVLSKQLGLSRALPLDSQMECASFLLNLRLAASMIRQGKAEKVLVVCSEYISNLLDFTSRTSTLFADGCAVALLTRGDDDSCDLLASAEHSDATFYEVATGRWRLPENPTGEAKPRLYFSLFSDGQNKMASFVPTNVPIAMRRALEKAGLGSDDIDYFVFHQPAPFLVKAWAEGIGARPEQYQLTMGDTGVMISVSIPYTLMTGLREGKIRPGDRIVMAGAATGWGFAAQVWQLGEVLVC,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N>>,public_strict_iteration1_fulltrue_msa,,-0.5788323600793666,,s_fc23325f4d618852c65878ef,test
catpreddb_km_km_1470893229aaa3,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,OC1OC[C@@H](O)[C@H](O)[C@@H]1O,OC1OC[C@@H](O)[C@H](O)[C@@H]1O,OC1OC[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.232996110392154,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_14836f7aeb3e81,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1739251972991735,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_14b74e7241d578,catpred_iteration1_km,km,Q977Q3,Q977Q3,MMEFLKDFQKMGIYLAYNVNVDAIVYLNEKHIESLIKEFGAENIKKRIDEYPREINEPLDFVARLIHALKTGKPQAVPLVSYEADKWFNSRFKYDFERIGGQVGVIANLLANLDFNKVIAYSPLLGRKQAEMFVNRDNLLYPVVENGKLVLKKPLEAYREDDPVKINRIFEFRAGTKFKLGDETIEVPYSGRFIVACRFEDFARIETSPELKPYLPEIGEMVDGAILSGYQGLRRYYSDGKDANYYLRKAKEDIKLLKKKKDIKIHVEFASIQDRELRKKVIYNIFPLVDSVGMDEAEIAHILSVLGYRELSDRIFTYNRIEDAVLGAKILLDELNLEILQVHTIYYLMYITHNDNPLTEEELTKSLEVGTTLAAARAFLGDIKRPEDVKVGLNIPFNEKGEYVKLRFEEAKAKMRTREYKIVIIPTRLVRNPVSTVGLGDTISAGAFASYLSLLKRKE,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4082399653118496,,s_97ae062f1d0f5612bedba58a,test
catpreddb_km_km_14bbbd40456349,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)c1c[nH]c2ccccc12,O=C(O)CN=C(O)c1c[nH]c2ccccc12,O=C(O)CN=C(O)c1c[nH]c2ccccc12>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_14bc49b32607b0,catpred_iteration1_km,km,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_14cd41810772cc,catpred_iteration1_km,km,B2KZE7,B2KZE7,MSNDKAATSTNFNLTPNRERIFQELSELISHYSPHSMPEHADTHEEAAKWVTAKLEELGLDVTRHPTVDDADTIIGVKEPVGDAPTILLYSHYDVVPAQNPAVWTNDPLELDERDGRWYGRGAADCKGNVIMHLEALRMVQENGGTDLGLKVVMEGSEELGGEDGLGKLIDANPELFTADVIFIGDGGNVAVGIPTLTTHLRGGAQLRFKVDTLEGPVHSGGWGGAAPDAAHALIRIIDSFFDEHGRTTIEGVDTTAKWEGDPYDRETFRKDARVLDGVQLLGTVDDEPADMVWARPAITVIGFTSVPVEDATNIVNPTAEAQFNLRVPAPQSAAEVAKKVEEQIRARAPWGAKVEVSITGVNEPFSTDPNGPAVQHFGKCLQDAYGAEHLTVVGTGGSIPLTVTLQKHFPDAEFALYGVADPAANIHGVDESVDPTEIEHVAIAEAEFLLTYGK,CCCC(C)(CCO)SC[C@H](N)C(O)=NCC(=O)O,CCCC(C)(CCO)SC[C@H](N)C(O)=NCC(=O)O,CCCC(C)(CCO)SC[C@H](N)C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_1a390bf5fa4012bed425f476,test
catpreddb_km_km_14eaa50da93c5b,catpred_iteration1_km,km,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,COC(=O)/C=C/c1ccc(O)cc1,COC(=O)/C=C/c1ccc(O)cc1,COC(=O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.6304131092636557,,s_9e06a86c4d466395e96365e4,test
catpreddb_km_km_15087742ecebb8,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1>>,public_strict_iteration1_fulltrue_msa,,-3.94219474416285,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_150f0a478930db,catpred_iteration1_km,km,P9WHK9,P9WHK9,MAGPDRAELAELVRRLSVVHGRVTLSSGREADYYVDLRRATLHHRASALIGRLMRELTADWDYSVVGGLTLGADPVATAIMHAPGRPIDAFVVRKSAKAHGMQRLIEGSEVTGQRVLVVEDTSTTGNSALTAVHAVQDVGGEVVGVATVVDRATGAAEAIEAEGLRYRSVLGLADLGLD,O=C(O)c1cc(O)nc(O)n1,O=C(O)c1cc(O)nc(O)n1,O=C(O)c1cc(O)nc(O)n1>>,public_strict_iteration1_fulltrue_msa,,-2.0134360732001504,,s_2afc4eaf023153df9b9f42b2,test
catpreddb_km_km_15290a2005392c,catpred_iteration1_km,km,Q81ST8,Q81ST8,MSGLHILAFGAHADDVEIGMAGTIAKYTKQGYEVGICDLTEADLSSNGTIELRKEEAKAAARIMGVKTRLNLAMPDRGLYMKEEYIREIVKVIRTYKPKLVFAPYYEDRHPDHANCAKLVEEAIFSAGIRKYMPEVPPHRVESFYHYMINGFHKPNFCIDISEYVSQKVEALEAYESQFSTGSDGVKTPLTEGYVETVVAREKMFGKEVGVLYAEGFMSKKPVLLHADLIGGCK,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.756636108245848,,s_bd9cd0da3bac4689a91c75df,test
catpreddb_km_km_152b573b66b93c,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O,CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5968794788241821,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_154468d81b356d,catpred_iteration1_km,km,P16303,P16303,MRLYPLVWLFLAACTAWGYPSSPPVVNTVKGKVLGKYVNLEGFAQPVAVFLGIPFAKPPLGSLRFAPPQPAEPWNFVKNTTSYPPMCSQDAVGGQVLSELFTNRKENIPLQFSEDCLYLNVYTPADLTKNSRLPVMVWIHGGGLVVGGASTYDGQVLSAHENVVVVTIQYRLGIWGFFSTGDEHSQGNWGHLDQVAALHWVQDNIANFGGNPGSVTIFGESAGGFSVSALVLSPLAKNLFHRAISESGVVLTSALITTDSKPIANLIATLSGCKTTTSAVMVHCLRQKTEDELLETSLKLNLFKLDLLGNPKESYPFLPTVIDGVVLPKTPEEILAEKSFNTVPYIVGINKQEFGWIIPTLMGYPLSEGKLDQKTAKSLLWKSYPTLKISEKMIPVVAEKYFGGTDDPAKRKDLFQDLVADVMFGVPSVMVSRSHRDAGAPTFMYEFEYRPSFVSAMRPKTVIGDHGDELFSVFGSPFLKDGASEEETNLSKMVMKYWANFARNGNPNGGGLPHWPEYDQKEGYLKIGASTQAAQRLKDKEVAFWSELRAKEAAEEPSHWKHVEL,CCCCCCCC/C=C\CCCCCCCC(=O)O,CCCCCCCC/C=C\CCCCCCCC(=O)O,CCCCCCCC/C=C\CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3583493856482251,,s_7e31156bec58f136315549ae,test
catpreddb_km_km_154e2ed9c050a3,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.088846045911154,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_1560ccb79fe677,catpred_iteration1_km,km,O64530,O64530,MASTLFSRTFLAASHRLITPSLPQKIFNPATFLSRSLHSQLGSASTAYKSTTWARRAMASTGVETKAGYSTSSVSTSEPVVSVDWLHANLREPDLKILDASWYMPDEQRNPIQEYQVAHIPRALFFDLDGISDRKTSLPHMLPTEEAFAAGCSALGIDNKDEVVVYDGKGIFSAARVWWMFRVFGHEKVWVLDGGLPRWRASGYDVESSASGDAILKASAASEAIEKIYQGQTVSPITFQTKFQPHLVWTLDQVKNNMEDPTYQHIDARSKARFDGTAPEPRKGIRSGHIPGSKCIPFPQMFDSCNTLLPAEELKKRFDQEDISLDKPIMASCGTGVTACILAMGLHRLGKTDVPIYDGSWTEWATQPDLPIESVESSS,O=S(=O)(O)[S-],O=S(=O)(O)[S-],O=S(=O)(O)[S-]>>,public_strict_iteration1_fulltrue_msa,,0.0377734806962653,,s_e5519e2cd7d384381c51c0fd,test
catpreddb_km_km_15854d611a9134,catpred_iteration1_km,km,Q9HJ89,Q9HJ89,MEENIESVEEWVNKLDIETTKDIHVPKLLFDQVIGQDQAGEIVKKAALQRRHVILIGEPGTGKSMLAQSMVDFLPKSELEDILVFPNPEDPNKPKIKTVPAGKGKEIVRQYQIKAEREKRDRSRSIMFVIFSVVLLGIIAAIVLRSITLIFFAIMAAAFLYMAMAFNPVIRNERAMVPKLLVSHNPNDKPPFVDSTGAHSGALLGDVRHDPFQSGGLETPAHERVEAGNIHKAHKGVLFIDEINLLRPEDQQAILTALQEKKYPISGQSERSAGAMVQTEPVPCDFVLVAAGNYDAIRNMHPALRSRIRGYGYEVVVNDYMDDNDENRRKLVQFIAQEVEKDKKIPHFDKSAIIEVIKEAQKRSGRRNKLTLRLRELGGLVRVAGDIAVSQKKTVVTAADVIAAKNLAKPLEQQIADRSIEIKKIYKTFRTEGSVVGMVNGLAVVGADTGMSEYTGVVLPIVAEVTPAEHKGAGNIIATGKLGDIAKEAVLNVSAVFKKLTGKDISNMDIHIQFVGTYEGVEGDSASVSIATAVISAIENIPVDQSVAMTGSLSVRGDVLPVGGVTAKVEAAIEAGLNKVIVPELNYSDIILDADHVNKIEIIPAKTIEDVLRVALVNSPEKEKLFDRISNLINAAKIIKPQRPATPATTRAGNNAA,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.707743928643524,,s_223a80b857b00cd18791aced,test
catpreddb_km_km_159dff794cd419,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_15b4af510f6ed8,catpred_iteration1_km,km,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1,COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1,COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.494850021680094,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_km_km_15b8914006302a,catpred_iteration1_km,km,Q66CJ2,Q66CJ2,MKYIKLTVLAGIFVGISSPVFALPNITLLATGGTIAGGGDSATKSNYTAGKLGVDALVEAVPAIKDIANIQGEQVVNIGSQDMNDDVWLTLAKKINKDCTKTDGFVITHGTDTLEETAYFLDLTVNCDKPVVIVGAMRPATALGADGPLNLYNAVVVASEADSAKRGVLVAMNDMVFTGRDVVKTNTTSVQTFQSPNTGPLGYIYDGKVNYLHQPAARQPAFDISKLNTLPKVGIIYNYANASDIPAKALIADGYQGIVSAGVGNGNLYHTVFDTLATAASHGVAVVRSSRVPSGSTTEGAEIDDAKYGFVAAGALNPQKARVLLQLALTQTQKPQEIQKLFHTY,N=C(O)C[C@H](N)C(=O)O,N=C(O)C[C@H](N)C(=O)O,N=C(O)C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_e071e954647dfd6841979df3,test
catpreddb_km_km_15c91dd61664b9,catpred_iteration1_km,km,Q89CN5,Q89CN5,MSPASQIYAKITGPIVMVGFGSIGKGTLPLIERHLDYDKSRVTVIDPKDEGRKAHCEKHNVRFIQKGVTKDNYRELLTPLLTEGGGQGFCVNLSVDTGSTDIMELCNELGALYIDTVNEPWLGFYFDSSKGPEARSNYALREVTLAAKKARPAGSTTAVSCCGANPGMVSFFVKQALLNVAADLKLNAPKPKTKAEWADLMRQAGIKGIHIAERDTQRSKKPKEPDVFVNTWSVEGFLSEGVQPSELGWGTHEKWMPENARTHEAGCGAAIYLMQPGANTRVRTWCPTRGAQYGFLVTHNESISIADYFTVRDASGKAVYRPTCHYAYHPADDAVLSLHEMFGRAAKMQEKHHILDENEIVDGIDELGVLLFGHDNNAYWYGSQLSIEETRKLAPYQNATGLQVTSAVLGGMVWALENPNEGIVEADEMDFDRLLEIQLPYLGPVKGFYTDWTPLTDRPGLFPEDIDTSDPWQFRNILVR,NCCCCN,NCCCCN,NCCCCN>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_f0befb672f15c36d565fec4a,test
catpreddb_km_km_15cd47e8899700,catpred_iteration1_km,km,Q9WYP5,Q9WYP5,MRIGVIGLGRIGTIHAENLKMIDDAILYAISDVREDRLREMKEKLGVEKAYKDPHELIEDPNVDAVLVCSSTNTHSELVIACAKAKKHVFCEKPLSLNLADVDRMIEETKKADVILFTGFNRRFDRNFKKLKEAVENGTIGKPHVLRITSRDPAPPPLDYIRVSGGIFLDMTIHDFDMARYIMGEEVEEVFADGSVLVDEEIGKAGDVDTAVVVLRFKSGALGVIDNSRRAVYGYDQRIEVFGSKGRIFADNVRETTVVLTDEQGDRGSRYLYFFLERYRDSYLEELKTFIKNVKSGEPPAVSGEDGKMALLLGYAAKKSLEEKRSVKLEEVIG,O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_765aec556273a98ca5c2856e,test
catpreddb_km_km_15df9227d5e623,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O,CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O,CCCCCC(=O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9633711046378388,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_15e322d9e682ae,catpred_iteration1_km,km,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,CC(=O)C(O)C(O)COP(=O)(O)O,CC(=O)C(O)C(O)COP(=O)(O)O,CC(=O)C(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3239087409443189,,s_27015adbfee76024dda17db7,test
catpreddb_km_km_15f6f3e5334d80,catpred_iteration1_km,km,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.14921911265538,,s_0424465e822fd7a94a631a04,test
catpreddb_km_km_16029a5d7dfef4,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,CC(O)=N[C@@H](CSCC(=O)O)C(=O)O,CC(O)=N[C@@H](CSCC(=O)O)C(=O)O,CC(O)=N[C@@H](CSCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.678684392509573,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_16086faf1fe11d,catpred_iteration1_km,km,O60704,O60704,MRLSVRRVLLAAGCALVLVLAVQLGQQVLECRAVLAGLRSPRGAMRPEQEELVMVGTNHVEYRYGKAMPLIFVGGVPRSGTTLMRAMLDAHPEVRCGEETRIIPRVLAMRQAWSKSGREKLRLDEAGVTDEVLDAAMQAFILEVIAKHGEPARVLCNKDPFTLKSSVYLSRLFPNSKFLLMVRDGRASVHSMITRKVTIAGFDLSSYRDCLTKWNKAIEVMYAQCMEVGKEKCLPVYYEQLVLHPRRSLKLILDFLGIAWSDAVLHHEDLIGKPGGVSLSKIERSTDQVIKPVNLEALSKWTGHIPGDVVRDMAQIAPMLAQLGYDPYANPPNYGNPDPFVINNTQRVLKGDYKTPANLKGYFQVNQNSTSSHLGSS,N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_a49165424debfdaef30bf5a5,test
catpreddb_km_km_160dab5a38cd81,catpred_iteration1_km,km,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,1.3560258571931227,,s_132f66001f653d7ed2ddbe90,test
catpreddb_km_km_1613303f83f28a,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.6989700043360187,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_1621457c75522c,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,2.398851836717216,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_162e732b7fb507,catpred_iteration1_km,km,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,NC(CS)C(=O)O,NC(CS)C(=O)O,NC(CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7860412102425542,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_km_km_1631a8d04093a1,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](O)[C@@H](CCO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CCO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CCO)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.502182402701225,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_1647ca57459c79,catpred_iteration1_km,km,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O>>,public_strict_iteration1_fulltrue_msa,,-0.4179366370882912,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_164df892489b33,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.6419983281826003,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_1651f4ccb80130,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO,OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,2.544068044350276,,s_27293a9716281920c2a47964,test
catpreddb_km_km_16549fd93ec8b9,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1,CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1,CC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.0446877975553994,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_166e68deb1523d,catpred_iteration1_km,km,F9W8I6,F9W8I6,MSAAVATVKLHNSFVPTSYDLHVSVDLASWRYDGRETIVLQRLSSVEPSKEIQLHYSKTMSIHEVTGAVVVDRNPEAGTLKLQLCGEPVERHTLTFSFTQEIREEMRGLYRVCFKTEDGVEHRMAATHFEPTAARYFYICQDEPAARADFTLRVTLPRSMEGYTVLSNGPLRTKEVCADGVTHCFDTVPAVPTYLTSCFVGELEHIDTTACGIPVRVYTVVGKVHRAGFALKTTAFALEYFEKFFDCKYPLPKLDVVAVPDFPIGGMENWGCIACVEAILVDEQTSSVGALKSAAELLCHEVSHNWFGNLVTVSWWDGLWLKEGFASWCGYNATHHLQPSWRCDEDANAGVASALVSDMYEHSHPVEVPIHDPAEIAQIFDAISYNKGMGLVHMLEAFLGDKWSASVAHYIKKYRYGDTRTTQLWQALEEASGVPLTEAMESFTTQMGFPMIHVSRPSANVIVLRQEPCQFVSAAERRKTQWCIPVVLEGAGGVSHRVELRGLEEQRVELPPALAQSSWINANPRRRGFFRCRYDDNSFSAILGAYTSLGASDRCGLITDTLASVYMGSDDMERLSILRSVLTEREPNGSVWREYYNSVSDLLSFLEDGNVHRELLRNLLFQVDVIATKLLEREPTTVEERLQRAFFVNASVATSLSCLSAADARAVPTVQWVLKEADAYLEGKPHAADTLTASLSAYVRLGPGDAATRLQTLWGRFVGADDNVELCRSLLRALCHAEDADFVEGVAKRCIYNDGIRSQYGGVIFAAIATNPLLPRGWLWSLFKKHFEGIDKQWGCGTFRIQSIVEAVGSTLTSDAHADDFEGFFRLHPLPHARLAVHRAVERIRLNAWLQRQWGGPKLSYLFFPR,CSCC[C@H](N)C(O)=Nc1ccc2c(c1)OCC=C2C,CSCC[C@H](N)C(O)=Nc1ccc2c(c1)OCC=C2C,CSCC[C@H](N)C(O)=Nc1ccc2c(c1)OCC=C2C>>,public_strict_iteration1_fulltrue_msa,,-1.0655015487564323,,s_8b6d15dcee2ed527715ea463,test
catpreddb_km_km_1670e246097792,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_16830295ccaba2,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1426675035687315,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_16855f75f23145,catpred_iteration1_km,km,Q70GK9,Q70GK9,MAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSGAGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFYSREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVSAIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADAGEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEAR,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3767507096020995,,s_54d0045dd302676c073cb3d0,test
catpreddb_km_km_16955d195562fe,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_1695b838794324,catpred_iteration1_km,km,Q84B23,Q84B23,MIVFTDLDGTLLDERGELGPAREALERLRALGVPVVPVTAKTRKEVEALGLEPPFIVENGGGLYLPRDWPVRAGRPKGGYRVVSLAWPYRKVRARLREAEALAGRPILGYGDLTAEAVARLTGLSREAARRAKAREYDETLVLCPEEVEAVLEALEAVGLEWTHGGRFYHAAKGADKGRAVARLRALWPDPEEARFAVGLGDSLNDLPLFRAVDLAVYVGRGDPPEGVLATPAPGPEGFRYAVERYLLPRLSRRGGSGP,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3602163290649164,,s_f841d20eb248ca1e53558388,test
catpreddb_km_km_16ac7bd3d4a971,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CC(=O)CC(=O)OCC[N+](C)(C)C,CC(=O)CC(=O)OCC[N+](C)(C)C,CC(=O)CC(=O)OCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_16c4bcdc81e72e,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2685881603988006,,s_482422f32efc21500360d70c,test
catpreddb_km_km_16c62ace3e6a43,catpred_iteration1_km,km,Q73PV9,Q73PV9,MRPLVIILMGSSSDMGHAEKIASELKTFGIEYAIRIGSAHKTAEHVVSMLKEYEALDRPKLYITIAGRSNALSGFVDGFVKGATIACPPPSDSFAGADIYSSLRMPSGISPALVLEPKNAALLAARIFSLYDKEIADSVKSYMESNAQKIIEDDSKLKR,Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1cncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_f1a464098ccf15d171c62caa,test
catpreddb_km_km_16d2e31f73d5da,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,C[C@H]1O[C@@H](n2cc(F)c(O)nc2=O)[C@H](O)[C@@H]1O,C[C@H]1O[C@@H](n2cc(F)c(O)nc2=O)[C@H](O)[C@@H]1O,C[C@H]1O[C@@H](n2cc(F)c(O)nc2=O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0273344077338891,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_16e91606f9d9de,catpred_iteration1_km,km,A0A1Y0UV69,A0A1Y0UV69,MSTEAPRLIRSIRLLDAAEDRIKTEFTAPPPPEKSLKTPALLELAKEFQPFAVVLTNNAPLKGKDVDALPECVKLVSTVSVGLDHLDIPTLHARGIAVSNTPNVLTDCNADLSMMLILAACRRAAEYYTLMKNGWHHGLGMGGMLGHRVTGKRLGIVGMGRIGQAVAKRARGFDMTILYHNRSRLSAAEEAGATYFEKLEDMLPHCDVLTLHMPGSPSAPPLMNSQTFSLLPKGSVFVNAARGSLVDEDALIEALESGHLFGAGLDVYRQEPNPNPRLTALPNIFMTPHAGSATIETRTAMCMLALDNVEALAKGLPMPTPVTV,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.6434526764861874,,s_3ec0dc664857423fb2e2db96,test
catpreddb_km_km_16f064894cbc07,catpred_iteration1_km,km,A0A0N9LF81,A0A0N9LF81,MKLVCSVLFVLLILPMCRSSPLQDTCRSFAAGHPSIGYDYCIRIFQADKSSAEATDARGLAAIAARIAEAKANATAARIASMSALERDARRRDRLSVCAEVYSDAVDQLDQAEEELAHGAKGGGGGIDDAVTQLSAALDAPETCEDAFGEADDTSPLAAEDTEFKNLATVALAIAASLAPPPSMPS,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.262810019949929,,s_cf8f0b9035eaead8273c1cd8,test
catpreddb_km_km_16f46482889083,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,C[C@@H](N)C(=O)NCc1ccccc1,C[C@@H](N)C(=O)NCc1ccccc1,C[C@@H](N)C(=O)NCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.2924298239020636,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_170c7ad6c23582,catpred_iteration1_km,km,Q96PN6,Q96PN6,MNTPKEEFQDWPIVRIAAHLPDLIVYGHFSPERPFMDYFDGVLMFVDISGFTAMTEKFSSAMYMDRGAEQLVEILNYHISAIVEKVLIFGGDILKFAGDALLALWRVERKQLKNIITVVIKCSLEIHGLFETQEWEEGLDIRVKIGLAAGHISMLVFGDETHSHFLVIGQAVDDVRLAQNMAQMNDVILSPNCWQLCDRSMIEIESVPDQRAVKVNFLKPPPNFNFDEFFTKCTTFMHYYPSGEHKNLLRLACTLKPDPELEMSLQKYVMESILKQIDNKQLQGYLSELRPVTIVFVNLMFEDQDKAEEIGPAIQDAYMHITSVLKIFQGQINKVFMFDKGCSFLCVFGFPGEKVPDELTHALECAMDIFDFCSQVHKIQTVSIGVASGIVFCGIVGHTVRHEYTVIGQKVNLAARMMMYYPGIVTCDSVTYNGSNLPAYFFKELPKKVMKGVADSGPLYQYWGRTEKVMFGMACLICNRKEDYPLLGRNKEINYFMYTMGQKLLKTLKKDKSWSQTFESATFYSLKGEVCFNMGQIVLAKKMLRKALKLLNRIFPYNLISLFLHIHVEKNRHFHYVNRQAQESPPPGKKRLAQLYRQTVCLSLLWRIYSYSYLFHCKYYAHLAVMMQMNTALETQNCFQIIKAYLDYSLYHHLAGYKGVWFKYEVMAMEHIFNLPLKGEGIEIVAYVAETLVFNKLIMGHLDLAIELGSRALQMWALLQNPNRHYQSLCRLSRCLLLNSRYPQLIQVLGRLWELSVTQEHIFSKAFFYFVCLDILLYSGFVYRTFEECLEFIHQYENNRILKFHSGLLLGLYSSVAIWYARLQEWDNFYKFSNRAKNLLPRRTMTLTYYDGISRYMEGQVLHLQKQIKEQSENAQASGEELLKNLENLVAQNTTGPVFCPRLYHLMAYVCILMGDGQKCGLFLNTALRLSETQGNILEKCWLNMNKESWYSTSELKEDQWLQTILSLPSWEKIVAGRVNIQDLQKNKFLMRANTVDNHF,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.0713337517843657,,s_49c39aafdb82d98ab8ed3c80,test
catpreddb_km_km_170da9c709f02c,catpred_iteration1_km,km,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_7339ebca9bb234fe98b49268,test
catpreddb_km_km_171c07d74c9ccb,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4436974992327127,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_171df20cd63844,catpred_iteration1_km,km,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O=C(O)/C=C\C(=O)O,O=C(O)/C=C\C(=O)O,O=C(O)/C=C\C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_d45e89fa98a913150cf54b5f,test
catpreddb_km_km_172ce58c9888a5,catpred_iteration1_km,km,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,Cc1cccc(C)c1O,Cc1cccc(C)c1O,Cc1cccc(C)c1O>>,public_strict_iteration1_fulltrue_msa,,0.8531504364478427,,s_55a74685ac62fb5c184ff381,test
catpreddb_km_km_17445133aa21b0,catpred_iteration1_km,km,P56742,P56742,MNVFFMFSLLFLAALGSCAHDRNPLEECFRETDYEEFLEIAKNGLTATSNPKRVVIVGAGMAGLSAAYVLAGAGHQVTVLEASERVGGRVRTYRKKDWYANLGPMRLPTKHRIVREYIKKFDLKLNEFSQENENAWYFIKNIRKRVREVKNNPGLLEYPVKPSEEGKSAAQLYVESLRKVVKELKRTNCKYILDKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFGYEKRFDEIVGGMDQLPTSMYEAIKEKVQVHFNARVIEIQQNDREATVTYQTSANEMSSVTADYVIVCTTSRAARRIKFEPPLPPKKAHALRSVHYRSGTKIFLTCKKKFWEDDGIRGGKSTTDLPSRFIYYPNHNFTSGVGVIIAYGIGDDANFFQALDFKDCADIVINDLSLIHQLPKEDIQTFCRPSMIQRWSLDKYAMGGITTFTPYQFQHFSEALTAPFKRIYFAGEYTAQFHGWIDSTIKSGLTAARDVNRASENPSGIHLSNDNEF,C#CC[C@H](N)C(=O)O,C#CC[C@H](N)C(=O)O,C#CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0711452904510828,,s_f9506aedb3f92081e7f38e21,test
catpreddb_km_km_1751e5260f8782,catpred_iteration1_km,km,A0A286Y392,A0A286Y392,MPEENIFLFVPNLIGYARIVFALISFYFMPCCPLTASSFYLLSGLLDAVDGHAARALNQGTRFGAMLDMLTDRCSTMCLLVNLALLYPRATLLFQLSMSLDVASHWLHLHSSVVRGSESHKMIDLSGNPVLRIYYTSRPALFTLCAGNELFYCLLYLFNFSEGPLVGSVGLFRMGLWITAPIALLKSVISVIHLITAARNMAALDAADRARKK,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_23146ed55028eb525a95a161,test
catpreddb_km_km_1754f5cf8b3817,catpred_iteration1_km,km,Q8GD20,Q8GD20,MFPCFVRLAPFFLVGLVSLQAHAASADGYVLDKVVQVSRHGVRPPTDTPKLAKVTGRELPKWSVPDGQLTGHGYAAAVEMGRYRGQVLRTAGLLPNGCPAPGEVFVRASPLQRTRATASALLDGLFPGCGLQPSVVQGDQDALFQADKMPFARLDPQRAEDSVLARMGGSVAGAQARYQDAQQQLRKVICNGISACAYTDEPWQLAQDDDGRLAVKGLNTQTNLGETFRLEYSEGLPLDQVAFGQGRSAQQVSQLTALTKAKYDFINDGPYIASRGGSQLMNQISLALKQGTPLTTNDPLGMPPDAPFTLLVAHDTNISYLRTLLGFRWTLGDYLEGNIPPVGSLQFERYKQVATGRYFLRVAFEAQSLEQIRQLTPLTVEQPPLHADMRGAEGCVDTSVGRLCPLALALQRLDQNIDRTALTSYHYP,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4202164033831898,,s_78ea164c9029cf7f46a1847e,test
catpreddb_km_km_175942e0b60ad5,catpred_iteration1_km,km,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCCCCC=CCC=CCC=CCCCCCCC(=O)O,CCCCCC=CCC=CCC=CCCCCCCC(=O)O,CCCCCC=CCC=CCC=CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_b8c0da372cb95f619176f62b,test
catpreddb_km_km_175a64b398d4e2,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_176109f5195c48,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,COC(=O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_1761c8cca01d32,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.5654310959658013,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_177544504f7f25,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(O)=NCC(O)=NCC(=O)O,CC(O)=NCC(O)=NCC(=O)O,CC(O)=NCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_17a5f60af1e061,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(C)SCC(O)=NCC(=O)O,CC(C)SCC(O)=NCC(=O)O,CC(C)SCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6575773191777937,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_17a86492c0c700,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCC(=O)CC(O)=NC1CCOC1=O,CCCCCC(=O)CC(O)=NC1CCOC1=O,CCCCCC(=O)CC(O)=NC1CCOC1=O>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_17b92f23ef1a5c,catpred_iteration1_km,km,Q8NRR8,Q8NRR8,MTRYAAIDCGTNSIRLLITEVTPEGFKEITRENTIVRLGKGVDATGQLDPEAIERTRVALENYVELMETHGVEAVRMVATSATRDASNRDEFFSMTRQLLSKIRPGYQAEVISGEEEALLSFRGAIVDLPEDQGPFCVIDLGGGSTEFIVGTYDGEILGSHSTQMGCVRLTERIMRSDPPTETEVEIARDYVAERIQEVKAIVPISKAKTFVGCAGTFTTISAWVQGLESYDRDAIHLSALNFDALRVVTDEIISESSSQRASNPVVDPGRADVIGGGSVVVQAAIDLASKEAGVDYIIISEKDILDGLILGLVEADSLKK,O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-],O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-],O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_3ba73f0cdf68937f8fbbfd8f,test
catpreddb_km_km_17c0ded594229a,catpred_iteration1_km,km,B9U6P5,B9U6P5,MYDLTSAQLDLQARARELAQTKFAPTAAQTDQTEEYPWKNVELLRDAGFMGMTLPKSIGGQGLSYLDAVIVVEEMAKACATMGRITVEANMGAIGAIAKYGTPEQLKIAADLVLAGDKPAICISEPNAGSAASEMTTRADRQGDHYIINGEKYWITGGGVSKVHLIFARVLEDGVDQGIGGFICVRDGENSPAGLVIGRRLYAMGVRGIPETHIEFHDLKVHKSMLVVPPGGLKRGFASLMTAYNAQRVGAGTVALGIAQGAFEEGLERLKTRHQFGRPIAEFQGLQWMAADMSTQLEAARLLLRHAAASGEEFPDIDKAARAKIFAAETANKVTNDALQFWGSSGYGRENPMERHVRDARMFTIAGGTAQILRTQVAGKLLGMKLPQTRDGFAKVAAR,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCS(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCS(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCS(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2839966563652008,,s_52f61e3f4975b027a01e8535,test
catpreddb_km_km_17e2db39206f13,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8325089127062363,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_17e5ee2b0b26d4,catpred_iteration1_km,km,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,COc1cc(/C=C/C=O)ccc1O,COc1cc(/C=C/C=O)ccc1O,COc1cc(/C=C/C=O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6779875614175995,,s_08cbf502c176a7783bac2948,test
catpreddb_km_km_17fd44511dc93f,catpred_iteration1_km,km,O15769,O15769,MRTSATLQFKVAVLGAAGGIGQPLSLILKTNPLVSHLSCYDIHGVTGVAADLSHICSPAKVTGHLKDELHKAVDGADVVIIPAGTPRKPGMTREDLFSVNATIVRDLVSACAKQCPKALIGVVSNPVNSVVPIASEVLKKAGVFDPARLFGITTLDVVRARTFVAEAAGKSPYDVNVQVVGGHSGPTIIPLLSQAGVSLTEEQVKAITHRVQYGGDEVVKAKGGAGSATLSMAYAAGEWMSSVLKGLRGDKGIVECTYVQTDIIPGVNFFGCPVELGKGGVEKIHKPVFDAYEQSLLEKCVADLEKNIAAGFAFGSRQ,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.9443457787142776,,s_0b8c8ce9ee94a7781b0d33c5,test
catpreddb_km_km_180b0f7eb7b4d8,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O,O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O,O=C(O)C[C@H](C(=O)O)[C@@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_180b1cbdad507b,catpred_iteration1_km,km,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_km_km_1838d8934a0abd,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccccc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccccc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccccc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_955f208818110e17c458234b,test
catpreddb_km_km_183ffa2da1f890,catpred_iteration1_km,km,C9YSH7,C9YSH7,MPIKSIKARQIYDSRGNPTVEVDLVTENGLFRAAVPSGASTGVHEALELRDNDKSIYHGKSVFKAVDNINSIIAPELLKANIEVTEQVEIDNFLLKLDGTPNKSKLGANAILGVSLAVCKAGAAKKSIPLYKWIAELAGNKEIVLPVPAFNVINGGSHAGNKLAMQEFMILPVGATNFTEAMKMGSEVYHYLKAGIKKKFGLDATAVGDEGGFAPNILENKEALNLIINAIKTAGYEGKIKIGMDVAASEFHKDGKYDLDFKNEKSDPATYLEPEALKNLYLDFVKEFPIVSIEDPFDQDGWESWSALTAATPIQIVGDDLTVTNPIRIKTAIEKKACNCLLLKVNQIGSVTESINAHKLAKSAGWGTMVSHRSGETEDTFIADLVVGLSTGQIKTGAPCRSERLCKYNQILRIEEELGASAKFAGEKFRNPSA,O=C(O)[C@@H](CO)OP(=O)(O)O,O=C(O)[C@@H](CO)OP(=O)(O)O,O=C(O)[C@@H](CO)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0655015487564323,,s_d9d55d867112c74e8877c0eb,test
catpreddb_km_km_1871a397ae341f,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)nc(O)c2N1,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)nc(O)c2N1,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)nc(O)c2N1>>,public_strict_iteration1_fulltrue_msa,,-0.5016894462103995,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_187372c05cd9d7,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.00436480540245,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_187844017b2ea2,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N)CCC(O)=NC(=O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(=O)N=C(O)CC[C@H](N)C(=O)N=C(O)CC[C@H](N)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N)CCC(O)=NC(=O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(=O)N=C(O)CC[C@H](N)C(=O)N=C(O)CC[C@H](N)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N)CCC(O)=NC(=O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(=O)N=C(O)CC[C@H](N)C(=O)N=C(O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5185139398778875,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_1897efb1f2ee03,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.0052123069169055,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_189900b5e4f82a,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O)O[C@H](CO)C(OC2O[C@H](CO)C(O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.2648178230095364,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_189e70e00193e6,catpred_iteration1_km,km,Q6KYX5,Q6KYX5,MVRYIPMGNGKILVSFNNDYNLTDFYFSKDMAENHSAGKPFRYGVSINDKFTWINASNIVSKDYYDHTMIGIVKYNINDVSFEDDNFVDIYEDVYARKIKITNKRKEKINVKLFFHQNFSIYGNNIGDTGFYYPDTNAIVHYKGRRYFIISTTDGKNSFDQYAIGIKDFNGMAGTWKDAEDNNLSMGPIAIGSVDSTIRHSIDIDPESQKELYYYIACARDLDTVLRINRNMSTGNLDRMMKRTENFWELWVSKSPLNLTAELNEMYKKSLFIIRSHINEKGAVMASSDSDILRSNMDSYYYSWPRDAGYAAISMIVSEHSDPAKLFFDFCINTISKDGYFYHKYNPDGKIASSWLPYIMDGKRILPIQEDESAIVIIAAWYYYSTNNDIEYISYLYERLIKRVAEFLYNFTYDNGLPKESFDLWEERFGIHTYTVASVYIALIYAANFAEIFNETDLARKYKSKADKMLESFEKMFYSDDLGYYARRIYNGDVDFVLDSSVLWLVIFGIKKPDDPRIVSTVKAIEKKLWVPGIGGIARYEGDYYQRISGKNIPGNPWIITTLWLADYYIMAGNTGRALELINWVVQHSEESGILSEQINPDNGEPISVSPLIWSHSQLVLTLKRYKDAIKNKGIQ,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6901960800285137,,s_312250e5a9c36387b6496788,test
catpreddb_km_km_18a0dc03eeb5df,catpred_iteration1_km,km,A1RUM9,A1RUM9,MASLSVLGLGYVGVVHAVGFALLGHRVVGYDVNPSIVERLRAGRPHIYEPGLEEALGRALSSGRLSFAESAEEAVAATDATFIAVGTPPAPDGSADLRYVEAAARAVGRGIRAKGRWHLVVVKSTVPPGTTEGLVARAVAEEAGGVKFSVASNPEFLREGSALEDFFKPDRIVIGAGDERAASFLLDVYKAVDAPKLVMKPREAELVKYASNVFLALKISFANEVGLLAKRLGVDTYRVFEAVGLDKRIGRHYFGAGLGFGGSCFPKDTLAFIRFGESLGLEMAISKAVLRVNEYMPRYAVQLLEERLGGLRGRHVGVLGLAFKPNTDDVRESRGVEVARLLLERGARVYVHDPMAMEKARAVLGDSVTYVEDPQALLDQVEGVIIATAWPQYEGLDYRGKVVVDGRYVKKAREAKIYEGVAWA,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2547969205447751,,s_6ee22696fc5ad9e04ade686c,test
catpreddb_km_km_18a94127759dce,catpred_iteration1_km,km,Q9L9F4,Q9L9F4,MLILGLNGNVSAAGADVVPNLNELYMHDAAATLVRDGVLVAAVEEERLNRIKKTTKFPSNAIRECLAAAGAKPADVDAIAYYFPEDFFDDIFQQLYTEHPSVPTRYSREMILERLRVDLGWAAPPDILHYVPHHLAHAMSTYYRSGMREALVVVMDGAGERNCTTIYRSDGAELFEIASYPVPKSLGMFYLYGTRHLGYGFGDEYKVMGLAPYGDPSTYRDVFSTLYSLGPNGTYELIPRGGVVFRMTTILREHGLQPRRRGEPFTQAHMDFAASVQETTEQIAMHVIGYWARSTGLRNLAFGGGVAHNSTLNGRILTSGLFDEVFVHPASHDAGSSEGAALVVARERGERVWPLPRLTNASLGPDLGDVDSLERTLKSWSPLVDVERPDDIVEATAHLLAAGEAIGWAHGRSEFGPRALGNRSILADARPKENQTRINAMVKKRESFRPFAPVVTAEAAGDYFDLPETVGHHDFMSFVVQVRADRRELLGAVTHVDGSARVQVVTEETNPRFHRLVTRFGELTGTPVLLNTSFNNHAEPIVQSVDDVLTSYLTTSLDVLVIEDFVVRRRTELPLALEDFTIGFRPVTRLVRRLADVSAGRPGAPEVSHEIYLDHTSGPRATISAAMYELLTHADGVTPLGSLGIELTGELLTELYDLWQGRFVTVAPVGDGAGSAP,N=C(O)OP(=O)(O)O,N=C(O)OP(=O)(O)O,N=C(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.292429823902064,,s_cf92563dbf75db8cc3f111e8,test
catpreddb_km_km_18b041d3e76546,catpred_iteration1_km,km,Q6KZ98,Q6KZ98,MYGKNLISELREKEIFKRLHHVEFYVSSAKTWSYFMNRGLGFKTVAYAGPETGIRDKISYVMSQGTARISFTSSMNDDSYISNHVKKHGDGVKDIALEVDDLDEAKSLIEKYGTKVSKINEIKDGNGKIRTAEIKTYGETVHTLIETGDYNGVFMPGYEESEINSKNTGIKKIDHIVGNVYEGEMDSWVNFYIEKLGFEHLITFDDKDIRTDYSALRSKVVKYNDDIVFPINEPAKGLRKSQIEEYLDYYRSEGVQHIALLTDDIIKTVSMMEENGIEFLKTPGSYYESLSSRIGSIDEDLNEIEKHNILVDRDENGYLLQIFTKPVTDRPTFFFEVIQRKGARSFGNGNFKALFEAIEREQAKRGNL,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8477116556169436,,s_9e11ee2e8ac62916e80120ec,test
catpreddb_km_km_18c7eee40b8027,catpred_iteration1_km,km,Q8TCT0,Q8TCT0,MGATGAAEPLQSVLWVKQQRCAVSLEPARALLRWWRSPGPGAGAPGADACSVPVSEIIAVEETDVHGKHQGSGKWQKMEKPYAFTVHCVKRARRHRWKWAQVTFWCPEEQLCHLWLQTLREMLEKLTSRPKHLLVFINPFGGKGQGKRIYERKVAPLFTLASITTDIIVTEHANQAKETLYEINIDKYDGIVCVGGDGMFSEVLHGLIGRTQRSAGVDQNHPRAVLVPSSLRIGIIPAGSTDCVCYSTVGTSDAETSALHIVVGDSLAMDVSSVHHNSTLLRYSVSLLGYGFYGDIIKDSEKKRWLGLARYDFSGLKTFLSHHCYEGTVSFLPAQHTVGSPRDRKPCRAGCFVCRQSKQQLEEEQKKALYGLEAAEDVEEWQVVCGKFLAINATNMSCACRRSPRGLSPAAHLGDGSSDLILIRKCSRFNFLRFLIRHTNQQDQFDFTFVEVYRVKKFQFTSKHMEDEDSDLKEGGKKRFGHICSSHPSCCCTVSNSSWNCDGEVLHSPAIEVRVHCQLVRLFARGIEENPKPDSHS,CCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCC,CCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCC,CCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCC>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_b1b54eb27787779c9e44bed0,test
catpreddb_km_km_18cb001cd98216,catpred_iteration1_km,km,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_18e05d949cf82a,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.6866822233006875,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_18fa232d36d3aa,catpred_iteration1_km,km,B8M9J8,B8M9J8,MPGSLIDTRQQPLSVGIVGGGIIGVILAAGLVRRGIDVKVFEQARGFREIGAGMAFTANAVRCMEMLDPAIVWALRSSGAVPISIGDHQAEARDYLRWVDGYHESSKRLYQLDAGIRGFEACRRDQFLEALVKVLPEGIVECQKRLQKIHEKNETEKVTLEFADGTFAHVDCVIGADGIRSRVRQHLFGEDSPYSHPHYSHKFAFRGLITMENAISALGEDKARTLNMHVGPNAHLIHYPVANETMVNIAAFVSDPEEWPDKLSLVGPATREEAMGYFANWNPGLRAVLGFMPENIDRWAMFDTYDYPAPFFSRGKICLVGDAAHAAVPHHGAGACIGIEDALCATVLLAEVFVSTRGKSSIVRNRAIAAAFGSFNAVRRVRAQWFVDSSRRVCDLYQQPEWADPQKRIKAENCFEEIKDRSHKIWHFDYNSMLQEAIEKYRHNMGS,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.8007935208383425,,s_82823a9d8c4fe9d464bd58ee,test
catpreddb_km_km_19036e0b3bf4dd,catpred_iteration1_km,km,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_874a36db5b07813dd2a06872,test
catpreddb_km_km_192a9a6b5e0e6f,catpred_iteration1_km,km,O15460,O15460,MKLWVSALLMAWFGVLSCVQAEFFTSIGHMTDLIYAEKELVQSLKEYILVEEAKLSKIKSWANKMEALTSKSAADAEGYLAHPVNAYKLVKRLNTDWPALEDLVLQDSAAGFIANLSVQRQFFPTDEDEIGAAKALMRLQDTYRLDPGTISRGELPGTKYQAMLSVDDCFGMGRSAYNEGDYYHTVLWMEQVLKQLDAGEEATTTKSQVLDYLSYAVFQLGDLHRALELTRRLLSLDPSHERAGGNLRYFEQLLEEEREKTLTNQTEAELATPEGIYERPVDYLPERDVYESLCRGEGVKLTPRRQKRLFCRYHHGNRAPQLLIAPFKEEDEWDSPHIVRYYDVMSDEEIERIKEIAKPKLARATVRDPKTGVLTVASYRVSKSSWLEEDDDPVVARVNRRMQHITGLTVKTAELLQVANYGVGGQYEPHFDFSRNDERDTFKHLGTGNRVATFLNYMSDVEAGGATVFPDLGAAIWPKKGTAVFWYNLLRSGEGDYRTRHAACPVLVGCKWVSNKWFHERGQEFLRPCGSTEVD,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_eb720b10ca28b34c7bc7c7ea,test
catpreddb_km_km_1941e83173c9fb,catpred_iteration1_km,km,O80852,O80852,MVLKVYGPHFASPKRALVTLIEKGVAFETIPVDLMKGEHKQPAYLALQPFGTVPAVVDGDYKIFESRAVMRYVAEKYRSQGPDLLGKTVEDRGQVEQWLDVEATTYHPPLLNLTLHIMFASVMGFPSDEKLIKESEEKLAGVLDVYEAHLSKSKYLAGDFVSLADLAHLPFTDYLVGPIGKAYMIKDRKHVSAWWDDISSRPAWKETVAKYSFPA,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,0.1846079287050714,,s_eca93ea1047cbdbf8535743c,test
catpreddb_km_km_1943b5d2e7c97b,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC1=C(/C=C/C(C)O)C(C)(C)CCC1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_19481c18c94599,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_19696844d6c1fb,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CCCC(=O)C(=O)O,CCCC(=O)C(=O)O,CCCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4983105537896005,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_1999fc8a9aa8b4,catpred_iteration1_km,km,B1VK31,B1VK31,MEVISNHTNGSVITINGHHHTNGKSDHRNGGVTAHDNGNKLSLGSYNSIKPGWFSEFSALWPGEAFSVKIEKLLFQGKSDYQDVMLFESATYGKVLTLDGAIQHTENGGFSYTEMIVHLPLGSIPTPKKVLIIGGGIGFTLFEVLRYSTIEKIDIVEIDDVVVDVSRKFFPYLAANFNDPRVTLVLDDGAAFVKAAQAGYYDAIIVDSSDPIGPAKDLFERPFFEAVAKALRPGGVVCTQAESIWLHMHIIKQIIANCRQVFKGSVNYAWTTVPTYPTGVIGYMLCSTEGPEVDFKNPINPIDKDSTHVKSKLGPLKFYNSDIHKAAFILPSFARSLIES,NCCCCN,NCCCCN,NCCCCN>>,public_strict_iteration1_fulltrue_msa,,0.7278867046136734,,s_e12b6c9fbe50761d5ade1759,test
catpreddb_km_km_199afd485cfbf7,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)(C)C1=CC(=O)C=CC1=O,CC(C)(C)C1=CC(=O)C=CC1=O,CC(C)(C)C1=CC(=O)C=CC1=O>>,public_strict_iteration1_fulltrue_msa,,-0.9065783148377652,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_19a1d4d4b39f9a,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)Nc1ccccc1,O=C(O)CN=C(O)Nc1ccccc1,O=C(O)CN=C(O)Nc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.4436974992327127,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_19a40019279f56,catpred_iteration1_km,km,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)O,CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)O,CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.1023729087095586,,s_b8c0da372cb95f619176f62b,test
catpreddb_km_km_19b3e242281ad7,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1742929150934458,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_19cf670dc93c85,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=NC1[C@H](OC2[C@H](O)C(N=C(C)O)[C@H](OC3[C@H](O)C(N=C(C)O)[C@H](OC4[C@H](O)C(N=C(C)O)[C@H](OC5[C@H](O)C(N=C(C)O)[C@H](OC6[C@H](O)C(N=C(C)O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)C(O)[C@@H]1O,CC(O)=NC1[C@H](OC2[C@H](O)C(N=C(C)O)[C@H](OC3[C@H](O)C(N=C(C)O)[C@H](OC4[C@H](O)C(N=C(C)O)[C@H](OC5[C@H](O)C(N=C(C)O)[C@H](OC6[C@H](O)C(N=C(C)O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)C(O)[C@@H]1O,CC(O)=NC1[C@H](OC2[C@H](O)C(N=C(C)O)[C@H](OC3[C@H](O)C(N=C(C)O)[C@H](OC4[C@H](O)C(N=C(C)O)[C@H](OC5[C@H](O)C(N=C(C)O)[C@H](OC6[C@H](O)C(N=C(C)O)[C@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)C(O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_19d301b5169c9e,catpred_iteration1_km,km,A0A1D8EJG8,A0A1D8EJG8,MKSTVASALLVLAGTAVQAQSGPWQQCGGIGWQGPFTCVSGHTCQVLNDWYHQCVPGGGPSPPPTSPPPTTPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPSSGSCPSTPGGLGSGNQRLPDPFTFHNGNTVTSAADFQCRQREVSSLIQQYELGQFPAPPQSVTSSYSGNTLSITVSDQGRSISFSVSISGGSGSKSPAIIAYGAPSIPVPNGVATIRFNNDDIAAQQSGSSRGQGKFYNLYGSGHSAGAMTAWAWGVARIIDALEKTPAAGIDPTRVGVTGCSRNGKGAMVAGALEPRIALTIPQESGSGGSACWRISNWQGQQGQNVQTPAQIITENVWLGPVFNNHANNVNALPFDHHQLAGLIAPRALYVIENSDMEWLGWTATYGCMAAARTQWEALGALDNFGFSQVGGNQHCSFNSGKQSAELNAFINKFLLQSGGGTTSILRTERNHGSFNLAEWTPWNVPNLR,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_14c73ee61fa57956bf09c3d5,test
catpreddb_km_km_19e640956c0f50,catpred_iteration1_km,km,P05156,P05156,MKLLHVFLLFLCFHLRFCKVTYTSQEDLVEKKCLAKKYTHLSCDKVFCQPWQRCIEGTCVCKLPYQCPKNGTAVCATNRRSFPTYCQQKSLECLHPGTKFLNNGTCTAEGKFSVSLKHGNTDSEGIVEVKLVDQDKTMFICKSSWSMREANVACLDLGFQQGADTQRRFKLSDLSINSTECLHVHCRGLETSLAECTFTKRRTMGYQDFADVVCYTQKADSPMDDFFQCVNGKYISQMKACDGINDCGDQSDELCCKACQGKGFHCKSGVCIPSQYQCNGEVDCITGEDEVGCAGFASVTQEETEILTADMDAERRRIKSLLPKLSCGVKNRMHIRRKRIVGGKRAQLGDLPWQVAIKDASGITCGGIYIGGCWILTAAHCLRASKTHRYQIWTTVVDWIHPDLKRIVIEYVDRIIFHENYNAGTYQNDIALIEMKKDGNKKDCELPRSIPACVPWSPYLFQPNDTCIVSGWGREKDNERVFSLQWGEVKLISNCSKFYGNRFYEKEMECAGTYDGSIDACKGDSGGPLVCMDANNVTYVWGVVSWGENCGKPEFPGVYTKVANYFDWISYHVGRPFISQYNV,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](N)Cc3ccc(S(C)(=O)=O)cc3)ccc21,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](N)Cc3ccc(S(C)(=O)=O)cc3)ccc21,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](N)Cc3ccc(S(C)(=O)=O)cc3)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.8927900303521318,,s_6223f0030719fea346ff18df,test
catpreddb_km_km_19ecf04f7678f1,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CNC(=O)c1ccc(Cl)cc1,O=C(O)CNC(=O)c1ccc(Cl)cc1,O=C(O)CNC(=O)c1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2076083105017461,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_19f6e2a9478c43,catpred_iteration1_km,km,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1989700043360188,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_km_km_19f968538e188f,catpred_iteration1_km,km,W8VZ54,W8VZ54,MTSYDYDYVVIGGGSGGMASSKEAARLGARVALFDFVKPSTQGTKWGLGGTCVNVGCVPKKLMHYAGLLGAGLHDARHFGWRLGEPTHDWTALRTAVQNHVKSLNFGYRNGLRSAKVNYLNQLARFADPHTVEYTEKDGSVKRLTAAHICISVGGRPIIPTDVPGAVEHAITSDDIFALKNAPGRTLVVGASYIALECAGFLNELGYDVTVAVRSIVLRGFDRQCSEKVASLMADIGVKFKYGPLPTKIEKADGQLHVTFSDGTVDTYQTVLYATGRYADTGGLALENAGVVVGKNGKIPVINEVTNVPHIYAVGDIVEGGLELTPVAIRAGELLARRLFAGATEQMDYVNVPTAVFTPFEYGCVGYTEEAAIAKYGEENIETYLFEFASLELGAAHRSKVPARRADEFDDALPLPCLSKLVCLKPEGERVVGFHYVGPNAGEVTQGFALAVILGATKKDFNKVIGIHPTDAESFTALDITRASGQPFAASGGCGGGKCG,O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-],O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-],O=C(O)c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)O)c2)ccc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_e77e91408a71927ee8058d29,test
catpreddb_km_km_19f981301608ef,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_1a04239061de15,catpred_iteration1_km,km,B0BK71,B0BK71,MKLFSASVFAAIIASHYASATAHIRAPNVKPRRTNSLLTAPPQQPPLPSAQQAASASSSAGLNLTDIQGDILIGMKKNKELFFFFSITDAATFKAKLGSDILELITSTNQLLAVATQPITAVNVAFSSTGLKALGITDDLKDPVFEAGMLSNAVSDLSDPGTGNWVPGFVGTSVHGVFLLASDTIDNVNTELANIQTILNGSITEIHRLQGEARPGDQQGHEHFGFMDGISNPAVDGFTPPAEIRPGQALIPPGIMLLGEANDTFQNDRPPWAKDGSFLVFRQMQQRAPEFNKFLQDHALNMPNMTSEQGADLLGARIVGRWKSDAPIDLTPLVDDPVLAADNQRNNNFDFSDATNQTRCPFSAHIRKANPRGDLGGINKFPNQHIIRAGIPYGPEVTDAEKASNSSSTDPSLERGLAFVAYQSNIQNGFVFLQKNWVDNTNFFRPGTGVDPLIGTNSRNSGTDAPNTPRVVSGLDPNNATSTIEIGIDFVVSRGGEYFFSPSLSAIRTVLSV,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-2.070581074285707,,s_bbd5319eac7a40aa3112ca03,test
catpreddb_km_km_1a2475a8bb5de3,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.0222763947111524,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_1a384ef154db30,catpred_iteration1_km,km,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.212187604403958,,s_3e77477216a36cf6ae48eafe,test
catpreddb_km_km_1a6097d7589c27,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,CCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCOS(=O)(=O)O,CCCCCCCCCCCCOS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_1a6767a7916c6b,catpred_iteration1_km,km,G9FRD6,G9FRD6,MNFREKYGQWGIVLGATEGIGKASAFELAKRGMDVILVGRRKEALEELAKAIHEETGKEIRVLPQDLSEYDAAERLIEATKDLDMGVIEYVACLHAMGQYNKVDYAKYEQMYRVNIRTFSKLLHHYIGEFKERDRGAFITIGSLSGWTSLPFCAEYAAEKAYMMTVTEGVAYECANTNVDVMLLSAGSTITPTWLKNKPSDPKAVAAAMYPEDVIKDGFEQLGKKFTYLAGELNREKMKENNAMDRNDLIAKLGKMFDHMA,C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_85d74e1f33f22bbece3eb735,test
catpreddb_km_km_1a6b25878a79e8,catpred_iteration1_km,km,P07913,P07913,MKALSKLKAEEGIWMTDVPVPELGHNDLLIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVGIGQEVKGFKIGDRVSGEGHITCGHCRNCRGGRTHLCRNTIGVGVNRPGCFAEYLVIPAFNAFKIPDNISDDLAAIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVAKHVGARNVVITDVNEYRLELARKMGITRAVNVAKENLNDVMAELGMTEGFDVGLEMSGAPPAFRTMLDTMNHGGRIAMLGIPPSDMSIDWTKVIFKGLFIKGIYGREMFETWYKMAALIQSGLDLSPIITHRFSIDDFQKGFDAMRSGQSGKVILSWD,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O,C[C@@H](O)[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.947306058075032,,s_4738684cd83688944be39dab,test
catpreddb_km_km_1a8b42b2987bcb,catpred_iteration1_km,km,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(N=c3[nH]c(Cl)nc(=Nc4cccc(S(=O)(=O)O)c4)[nH]3)c2)c2c1C(=O)c1ccccc1C2=O,Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(N=c3[nH]c(Cl)nc(=Nc4cccc(S(=O)(=O)O)c4)[nH]3)c2)c2c1C(=O)c1ccccc1C2=O,Nc1c(S(=O)(=O)O)cc(Nc2ccc(S(=O)(=O)O)c(N=c3[nH]c(Cl)nc(=Nc4cccc(S(=O)(=O)O)c4)[nH]3)c2)c2c1C(=O)c1ccccc1C2=O>>,public_strict_iteration1_fulltrue_msa,,-1.7563521021907549,,s_3922a407c453485de3311bb6,test
catpreddb_km_km_1a9c704c121f47,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CN=C(O)c1ccccc1,O=C(O)CN=C(O)CN=C(O)c1ccccc1,O=C(O)CN=C(O)CN=C(O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.1079053973095196,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_1ac8737a5bf430,catpred_iteration1_km,km,P12276,P12276,MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_79bb22d00f99679a2d54532a,test
catpreddb_km_km_1ad587eab6f899,catpred_iteration1_km,km,Q58043,Q58043,MYIGRFLVVGKTKEGKPFAAYRVSSRSFPNREAKKMDDNTVAIIPKDLNEMFKNPYITYNCIKVIDKTIVVSNGTHTDFIAEKLHFGKRDALAYVLAVMDYEKDDYKTPRIAAILDENECYMGYVAHDDIRVKKVELKDGKGYYLGVYNACKIDENQIIDIKGETAEEIADYILNYEEFEHPVACAVAVIDKDGIKIATKGK,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N=CO,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N=CO,NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N=CO>>,public_strict_iteration1_fulltrue_msa,,-1.0861861476162833,,s_4e25f7ca3553e189922f82b0,test
catpreddb_km_km_1ae1fc510b86f5,catpred_iteration1_km,km,Q705J0,Q705J0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSWKPGDMRLYANSSIGLFGALTANAAGMPYEQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRTGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-4.096910013008056,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_1aee0abade1ea4,catpred_iteration1_km,km,Q8I3X4,Q8I3X4,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.1191864077192086,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_1afa5e1eb2dfd9,catpred_iteration1_km,km,F8KAY7,F8KAY7,MSRFIRASQRRTLLATLIAATLAQPLLAAESLDSKPASAITAAKNAEVLKNLPFADREEFEAAKRGLIAPFSGQIKNAEGQVVWDMGAYQFLNDKDAADTVNPSLWHQAQLNNIAGLFEVMPKLYQVRGLDPANMTIIEGDSGLVLIDTLTTAETARAALDLYFQHRPKKPIVAVVYSHSHIDHFGGARGIIDEADVKAGKVKVFAPSGFMEHAVSENILAGTAMARRGQYQSGVMVPRGAQAQVDSGLFKTTATNATNTLVAPNVLIEKPYERHTVDGVELEFQLTLGSEAPSDMNIYLPQFKVLNTADNAPPAMHNLLTPRGAEVRDAKAWAGYIDASLEKYGDRTDVLIQQHNWPVWGGDKVRTYLADQRDMYAFLNNRALNLMNKGLTLHEIAAEVSKLPGELDRKWYLRSYYGALSTNLRAVYQRYLGFYDGNPANLDPFPPVEAGKRYVEAMGGADAVLKQMRAAIDKGDYRWAVQLGNHLVFADPANKDARALQADAMEQLGYQTENALWRNMYMTGAMELRHGVPTYDSRGKSEMGRALTPDMFFDLLAIRLDTDKAVGHDMTLNWVFEDLKQDIALTLRNGVLTQRVGSLNPKADVTVKLTKPTLDQIAARKLDLPTAIKQGTVKLDGDGKKLGEFFGLLDSFSPKFNIVEPLE,CCC(CC)OS(=O)(=O)O,CCC(CC)OS(=O)(=O)O,CCC(CC)OS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.6020599913279625,,s_216fa5d4fb38cba1bff072cb,test
catpreddb_km_km_1b0ef29d67f95e,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@@H]2OC(CO)C(O)C2O)c(=O)nc1S,Cc1cn([C@@H]2OC(CO)C(O)C2O)c(=O)nc1S,Cc1cn([C@@H]2OC(CO)C(O)C2O)c(=O)nc1S>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_1b23e73954c369,catpred_iteration1_km,km,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2875591816844665,,s_819c9375ca8203a769c0057f,test
catpreddb_km_km_1b372b195a4551,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,C[S+](CC[C@H](N)C(=O)O)C[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1,C[S+](CC[C@H](N)C(=O)O)C[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1,C[S+](CC[C@H](N)C(=O)O)C[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_1b38db25badbee,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Nc1nc(O)[nH]c2ncnc1-2,Nc1nc(O)[nH]c2ncnc1-2,Nc1nc(O)[nH]c2ncnc1-2>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_1b3df4d7228c66,catpred_iteration1_km,km,Q6QDP5,Q6QDP5,MFTQTTAFLFCTLLHPAFARVHFEGNEPFVWTQLGGFRGVYQTVNEKRVAAFLGVPFAQPPIGELRFQKPEPVEHWWHEYCPPKNTGLGELECHGEERDENEWKVPCKGCVLDVIKPANSCMLTPDTNFGEFPGSEMWNPPETSKISEDCLYLNMWVPENPTGDVLVWIFGGGFFSGSPSLDLYNGSVLAAEHSLIVVNINYRLGPFGFLFFGHESPVQGNMGLLDQQLALEWINKYIKAFGGDPKKVTLFGESAGSASVTAHLLASGSHPYFNKIIGLSGALTNLWATRSPETLKKVSFEFAKNLSCVDIEDPSAVLECLKSKSADDILNAGGAMFYLEPPMSFPFVPVDEDKVFFNGNVRDIIEEGKFKKVPAVMGTVNDEGTFWLPYYLKETGFTFDSSLPADADENKALITEEEYLKSMDSFAPYFKEVTEEQWQNLVEAYRNVFPEELPIGERLRNGVGRFLGDFFFTCDLADFANKFVENQEDSVYSYYFNMRSSANPWPEWMGVMHGYEIEYMFGQPFFMPSVYKEELLELEREFSKYIMKLLADFVRDGKPSDDWLPYTTTDRKALVLDKDSMEGNKKYVDLHEEQCQLIKDAHPSPGEPSSTSE,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_0879a9a3749f5bb94994b056,test
catpreddb_km_km_1b5c4140594138,catpred_iteration1_km,km,C5BN23,C5BN23,MRNPLRYTLLAFLLGHLGIAQSAPLTADQDHAQLLHVLGIENLRRGADGNTDSPFAANTDEAKANTALDSLPPLLTSVSGQAIASATDWEANRPALLNTFSQEIYGYVPGGAPELHWKAGSTTPIDDSGTSAIRQHFTSTLVHPENAALNLSLNFTLVLPKSNKPVPVVVVMSFDPGIWERFRDRMPAERYAQIQADNARWREQVVNAGWGYAEIIPTEFQADSGDGLSQGIIGFVNNGKPRNPTDWGALRAWAWSASQVLTYLQTDSRVAADRISVHGHSRFGKAALVAMAFDNRFAAGFISSSGEGGAKLWRRNFGEQVGNLAGAGEYHWMAGNFVKYAGPKKVNDIPVDAHQLLALCAPRPVLVSVGSQGESWVDPKGMLLAAYHATPAYALFGEQGVTQNELPAVGNGLLAGKLAFRQHEGGHTPAPNWETFITFATRQWASPNRLK,C=CCOC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,C=CCOC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,C=CCOC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O>>,public_strict_iteration1_fulltrue_msa,,1.6901960800285136,,s_21282d4f8da81a8e39870ab1,test
catpreddb_km_km_1b691fb8fc80b9,catpred_iteration1_km,km,A2TEF2,A2TEF2,MIGELLLLLAAGLALYGWYFCKSFNTTRPTDPPVVHGTTPFVGHIIQFGKDPLGFMLKAKKKYGGIFTMNICGNRITVVGDVHQHSKFFTPRNEILSPREVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTVAKFQNFAPSIQHEVRKFMKANWNKDEGEINILDDCSAMIINTACQCLFGEDLRKRLDARQFAQLLAKMESCLIPAAVFLPWILKLPLPQSYRCRDARAELQDILSEIIIAREKEEAQKDTNTSDLLAGLLGAVYRDGTRMSQHEVCGMIVAAMFAGQHTSTITTTWSLLHLMDPRNKRHLAKLHQEIDEFPAQLNYDNVMEEMPFAEQCARESIRRDPPLVMLMRKVLKPVQVGKYVVPEGDIIACSPLLSHQDEEAFPNPREWNPERNMKLVDGAFCGFGAGVHKCIGEKFGLLQVKTVLATVLRDYDFELLGPLPEPNYHTMVVGPTASQCRVKYIKKKKAAA,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3>>,public_strict_iteration1_fulltrue_msa,,-2.0404816230270018,,s_d540cb1ef35fd300bed61dcc,test
catpreddb_km_km_1b713bda05d23b,catpred_iteration1_km,km,O00763,O00763,MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQRNGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGTGTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSVAGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKLPELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGKRISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQVQSEIPGSPIFLMKLAQHARHLTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIRENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_2f44ab60f356ab1568187475,test
catpreddb_km_km_1b9680c1d210bb,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CCC(C)O,CCC(C)O,CCC(C)O>>,public_strict_iteration1_fulltrue_msa,,-3.10790539730952,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_1ba1177e0d153a,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,OC1C=CCCC1,OC1C=CCCC1,OC1C=CCCC1>>,public_strict_iteration1_fulltrue_msa,,-0.2448877336049287,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_1be125b888227f,catpred_iteration1_km,km,Q8YPB4,Q8YPB4,MQSYKYQQKKNLEKSYTREDWQGGYKSLRQEFDYWIDDVEGEIPTELQGTLFRNGPGLLDIKGQSIHHPFDGDGMISRISFVNGRAHYRNSFVKTEGYLAEKNAGKILHRGVFGTQKPGGWLANIFDFKLKNIANTNVIYWGEKLLALWEAAEPHRLDPKTLDTLGKEYFHGVLSAGEAFGAHPRFDPSCEQDNGAPCLVNFSIKPGLSTTITIFELNVAGEVVRKHAHHVPGFCFIHDFVITPNHCIFFQNPVSFNPIPFALGLRGAGECIQVQPNQPTRIIVIPRFPQSGQKEIKTLEVGSGFIFHHVNAFVVGEEILVDSLCYDSLPEVEPESDFRQVDFEAIAPGQLWRFYLNLKDGTVQKKLIESRCCEFPAIHPRNVGRSYRYLYMSAAHAATGNAPLQALLKIDLESGEKQIWSVAPRGFTGEPIFVPRPGSEKEDDGWVLALVYDAAHHRSDVVILDASDFTKGAIARLHLQHHVPYGLHGNFTPQVFV,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_6f17ac7c709e3470716b7e32,test
catpreddb_km_km_1beb00333140d5,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,N[C@@H](Cc1ccc(O)cc1)C(O)=Nc1ccc2ccccc2c1,N[C@@H](Cc1ccc(O)cc1)C(O)=Nc1ccc2ccccc2c1,N[C@@H](Cc1ccc(O)cc1)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-3.705533773838407,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_1bf6a5c8579b23,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_1bff6bcf916076,catpred_iteration1_km,km,P74334,P74334,MVTSPPTSSPSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIGDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRGVFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSNLATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSSTLTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEKQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESGTETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILDAQDITAPAIATLKLKHHIPYPLHGSWAQT,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-2.040444870779825,,s_70ae931ba6eb5833a7ffc65c,test
catpreddb_km_km_1c113d33a4f9e1,catpred_iteration1_km,km,Q9I3T5,Q9I3T5,MLSVYSDDHRLHFGQSELVDGKLQPCFEMPSRADTVLARVKSQNLGEVIAPKDFGREPLLRLHDAAYLDFLQGAWARWTAEGHSGDLVSTTFPGRRLRRDGPIPTALMGELGYYSFDTEAPITAGTWQAIYSSAQVALTAQEHMRQGARSAFALCRPPGHHAGGDFMGGYCFLNNAAIATQAFLDQGARRVAILDVDYHHGNGTQDIFYRRDDVLFASIHGDPRVEYPYFLGYADERGEGAGEGCNHNYPLAHGSGWDLWSAALDDACVRIAGYAPDALVISLGVDTYKEDPISQFRLDSPDYLRMGERIARLGLPTLFIMEGGYAVEAIGINAVNVLQGYEGAAR,CC(O)=NCCCC[C@H](N=C(O)OC(C)(C)C)C(O)=Nc1ccc2c(C)cc(=O)oc2c1,CC(O)=NCCCC[C@H](N=C(O)OC(C)(C)C)C(O)=Nc1ccc2c(C)cc(=O)oc2c1,CC(O)=NCCCC[C@H](N=C(O)OC(C)(C)C)C(O)=Nc1ccc2c(C)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.6516951369518393,,s_64d8728dca5ed5459d934dee,test
catpreddb_km_km_1c234596635907,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_37892504ee980fd328015aac,test
catpreddb_km_km_1c31a3233be1c1,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)CCCC(N)C(=O)O)C2SC1>>,public_strict_iteration1_fulltrue_msa,,-1.1307682802690238,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_1c388633a5184d,catpred_iteration1_km,km,A0A0F8NI45,A0A0F8NI45,MKFDPEKIKKDAKENFDHAWNEGKKMVKMPTLNERYPRTTLRYGKAHPVYDTIQKLREAYMRMGFEEMMNPLIVDEKEVHKQFGSEALAVLDRCFYLAGLPRPNVGISDERIAQITEILGDIGEEGIDKIRKELHAYKKGKIEGDDLVPEISAALEVSDALVADMIDRVFPEFKELIPQASTKTLRSHMTSGWFISLGALLEREESPFHFFSIDRCFRREQQEDASRLMTYYSASCVIMDEDVTVDHGKAVSEGLLSQFGFEKFLFRPDEKRSKYYVPDTQTEVFAFHPKLVGSNSKYSDGWIEVATFGIYSPTALAEYDIPYPVMNLGLGVERLAMILHDAPDVRSLTYPQIPQYSEWEMSDSGLAKQVFVDRMPETPEGQEIASAVVAQCELHGEEPSPCEFPAWEGEVCGRKVKVSVIEPEENTKLCGPAAFNEVVAYQGDILGIPNNKKWQKAFENHSARAGIRFIEAFAAQAAREIEEAAMSGADEHIVRIRIVKVPSEVNLKIGATAQRYITGKNKKIDIRGPVFTSVKAEFE,C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O,C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O,C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.633350983442044,,s_c4a2de1f6a1d2ebc4477e353,test
catpreddb_km_km_1c39338b796ac4,catpred_iteration1_km,km,Q10SX6,Q10SX6,MARGVSYVSAAQLVPMLRDPRIAVVDVRDEERIYDAHIAGSHHYASDSFGERLPELAQATKGKETLVFHCALSKVRGPSCAQMYLDYLSEADEDSDVKNIMVLERGFNGWELSGRPVCRCKDAPCKGVCS,O=[As]([O-])([O-])[O-],O=[As]([O-])([O-])[O-],O=[As]([O-])([O-])[O-]>>,public_strict_iteration1_fulltrue_msa,,0.9637878273455552,,s_9378482e2518ffcd1f779199,test
catpreddb_km_km_1c40c0611bef39,catpred_iteration1_km,km,M9Z1G5,M9Z1G5,MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMTMLDGGKERTKQQFEDLAKQAGFTVFKIVARAYYCWVIELYK,COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O,COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O,COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc(O)c1O>>,public_strict_iteration1_fulltrue_msa,,-2.684029654543082,,s_7d63982e25dfe2080c9a3604,test
catpreddb_km_km_1c4454e65dddbc,catpred_iteration1_km,km,Q93NG6,Q93NG6,MTVTSQVKPEDEMLNWGRLILDGVSYSDMVGARDRPKEITWFDYWMSLANEYEQEAERKVALGHDLSAGELLMSAALCAQYAQFLWFDERRQKGQARKVELYQKAAPLLSPPAERHELVVDGIPMPVYVRIPEGPGPHPAVIMLGGLESTKEESFQMENLVLDRGMATATFDGPGQGEMFEYKRIAGDYEKYTSAVVDLLTKLEAIRNDAIGVLGRSLGGNYALKSAACEPRLAACISWGGFSDLDYWDLETPLTKESWKYVSKVDTLEEARLHVHAALETRDVLSQIACPTYILHGVHDEVPLSFVDTVLELVPAEHLNLVVEKDGDHCCHNLGIRPRLEMADWLYDVLVAGKKVAPTMKGWPLNG,C[NH2+]CCCC(=O)c1ccc(O)nc1O,C[NH2+]CCCC(=O)c1ccc(O)nc1O,C[NH2+]CCCC(=O)c1ccc(O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_a3726f2264e0a116d65fe266,test
catpreddb_km_km_1c5172e5608247,catpred_iteration1_km,km,B2DEV1,B2DEV1,MDHATRAHFTMTVGEVDPLLADALASERGRQQNQIELIASENIVSRAVLDALGHEITNKTLEGYPGNRFHGGGQFVDIAEQAAIDRAKQLFNCGYANVQPHSGTQANLAVFFLLLKPGEKVLSLDLAAGGHLSHGMKANLSGRWFDATNYNVNPQNEVIDLDEMERLAEEIRPKLLITGGSAYPRELDFERMSRIAKKVGAYFLVDMAHIAGLVAGGVHPSPFPHADIVTCTTTKTLRGPRGGLILTNNEEWYKKLQAAVFPGVQGSLHSNVLAAKAICLGEAMLDDFKVYARQVVANAKVLANTLAERGVRIVSGGTDTHIVLLDLASKGLLGKQAETLLAKANITSNKNPIPGDSPRPPEWVGMRLGSSAATTRGLKEAEFRVLGTVIADLIDAEVAGKADDVVEGAKAKIAELTNTFPVYGQ,C[C@](N)(CO)C(=O)O,C[C@](N)(CO)C(=O)O,C[C@](N)(CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2741578492636798,,s_e141d0908d4da4fa44250d6a,test
catpreddb_km_km_1c7049c518ef08,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.5686362358410126,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_1c71fbd3e2a556,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,CN[C@H](CC(=O)O)C(=O)O,CN[C@H](CC(=O)O)C(=O)O,CN[C@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3830730375517934,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_1c7894e69aae58,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,Sc1ccc(Cl)cc1,Sc1ccc(Cl)cc1,Sc1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.2676062401770314,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_1c9d9b6890783a,catpred_iteration1_km,km,E7BYE4,E7BYE4,MRGDTTFPFILSLFVIFITQTIATNYPINVWPKPTTFNWPNPKIHLPLPNFTISHPTHRYLTPTVYRYRRLILSEHYRHIITPSINLTSSTPLQHLIISVSDVTSPLSHGVNESYSLSTPNGSSAAYITAGTVWGAMRGLETFSQLVYGNPTRVAAGVYISDLPIFTHRGVMLDTSRNFYGVDDLLRLIKAMSMNKLNVFHWHITDSHSFPLVVPSEPELAGKGAYGNEMMYSPADVEKIVEFGMEHGVRVLPEIDMPAHTGSWAEAYPEIITCANMFWWPAGNSPALAAEPGTGQLNPLIPKTYEVVKNVIHDTIAMFPDSLFHGGADEINSACWNTDPSIQTFVASNGTQSQLLEMFINNTLPEILSLNRTVVYWEDVILSANVKVDPSLLSPQHVIMQTWNNGPSNTKQLVTSGYRVIVSSADYYYLDCGHGSFVGNDSRYDQPPGTDQGNGGSWCGPFKTWETIYNYDITYGLTDKEAQLVIGGEVALWSEQADSTVMDSRIWPRASAMAETLWSGNCDETGMKRYAEATDRLTEWRYRMVARGIGAEPIQPLWCVKNSGMCNTVHSFTS,CC(O)=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8507808873446201,,s_957cbc93cc39ea42eb04629e,test
catpreddb_km_km_1c9f96ba60ff50,catpred_iteration1_km,km,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,C[N+](C)(C)CCOP(=O)(O)O,C[N+](C)(C)CCOP(=O)(O)O,C[N+](C)(C)CCOP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.3222192947339193,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_km_km_1cbcd4b0bfbc86,catpred_iteration1_km,km,P74334,P74334,MVTSPPTSSPSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIGDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRGVFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSNLATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSSTLTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEKQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESGTETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILDAQDITAPAIATLKLKHHIPYPLHGSWAQT,CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)CO,CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)CO,CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)CO>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_70ae931ba6eb5833a7ffc65c,test
catpreddb_km_km_1cdd11d5e97ac6,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)CN)C(C)C)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6901960800285137,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_1ce38debdcd789,catpred_iteration1_km,km,Q9UWK8,Q9UWK8,MALSDRLEMVNPSEIRKLFDLAQGIEGIISLGIGEPDFDTPEHIKEYAKEALDKGLTHYSPNIGILELREAVAEKFKKHNGIDADPKTQIMITVGTNQQILMGLATFLKDNEEVLIPSPMFVSYAPAVILAGGKPVEVPTYEENEFRLSVDELEKYVTPKTRALIINTPNNPTGAVLTKKDLEEIADFAVEHDLMILSDEVYEYFVYDGVKNYSIASLDGMFERTITMNGFSKTFAMTGWRLGFLAAPEWVVEKMVRFQMYNATCPVTFIQYAAAKALRDERSWQAVEEMRREYERRRNLVWKRLNEMGLPTVKPKGAFYIFPRIKDTGLSSKEFSELMIKEAKVVVVPGSAFGQAGEGYVRISYATAYEKLEEAMDRMEKVLKEKKLV,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3783979009481377,,s_52832a63290af6821a354b0f,test
catpreddb_km_km_1ceaf1212bb931,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)OCc1ccccc1,O=C(O)CN=C(O)OCc1ccccc1,O=C(O)CN=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.2291479883578558,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_1cec81b3788054,catpred_iteration1_km,km,A0A229Y8S8,A0A229Y8S8,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=P(O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.7621644058377852,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_1d02e0a6774c07,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.2596373105057563,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_1d0a55a329b47a,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,CCOC(=O)[C@H](Cc1ccccc1)N=C(C)O,CCOC(=O)[C@H](Cc1ccccc1)N=C(C)O,CCOC(=O)[C@H](Cc1ccccc1)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_1d187999bc41c7,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.6143937264016879,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_1d1cc479c2a62e,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_1d1e40a2ffd83a,catpred_iteration1_km,km,P12276,P12276,MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6536470255493614,,s_79bb22d00f99679a2d54532a,test
catpreddb_km_km_1d28d03d126444,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,C/C=C/C(C)=O,C/C=C/C(C)=O,C/C=C/C(C)=O>>,public_strict_iteration1_fulltrue_msa,,-0.2716462179787715,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_1d406946e79ca1,catpred_iteration1_km,km,P44514,P44514,MKEKVVSLAQDLIRRPSISPNDEGCQQIIAERLEKLGFQIEWMPFNDTLNLWAKHGTSEPVIAFAGHTDVVPTGDENQWSSPPFSAEIIDGMLYGRGAADMKGSLAAMIVAAEEYVKANPNHKGTIALLITSDEEATAKDGTIHVVETLMARDEKITYCMVGEPSSAKNLGDVVKNGRRGSITGNLYIQGIQGHVAYPHLAENPIHKAALFLQELTTYQWDKGNEFFPPTSLQIANIHAGTGSNNVIPAELYIQFNLRYCTEVTDEIIKQKVAEMLEKHNLKYRIEWNLSGKPFLTKPGKLLDSITSAIEETIGITPKAETGGGTSDGRFIALMGAEVVEFGPLNSTIHKVNECVSVEDLGKCGEIYHKMLVNLLDS,N[C@@H](CCC[C@H](N=C(O)CCC(=O)O)C(=O)O)C(=O)O,N[C@@H](CCC[C@H](N=C(O)CCC(=O)O)C(=O)O)C(=O)O,N[C@@H](CCC[C@H](N=C(O)CCC(=O)O)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.863322860120456,,s_b07f4d5a82f88e0062e88c59,test
catpreddb_km_km_1d7fca2dd96629,catpred_iteration1_km,km,Q9LDD5,Q9LDD5,MAEAIGAVSLVGHRPSIVRITVKNELKTQKSQSIVRFPVKVDYSAKGVLSHLMTQSVKKNRMSVFPIRALAMELTKEKKKDDRLPKTWNYLDSGADDKPSLWPPENKADKPSLHNPLLRQERMGCGWLGAIFEWEGVLIEDNPDLDNQSWLTLAQEEGKSPPPAFMLRRVEGMKNEQAISEVLCWSRDPVQVRRMAKRKEEIFKALHGGVYRLRDGSQEFVNVLMNNKIPMALVSTRPRETLENAVGSIGIRKFFSVIVASEDVYRGKPDPEMFIYAAQLLDFIPERCIVFGNSNQTIEAAHDGRMKCVAVASKHPIYELGAAELVVRRLDELSIIDLKKLADTDLTEFEPELEMEKEDERELPSSAVAVDDF,Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,Nc1c(O)nc(O)nc1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8961962790440432,,s_f7d1923e6ba1b67c803d1acb,test
catpreddb_km_km_1d87a2f3065681,catpred_iteration1_km,km,A0A9R0J2J0,A0A9R0J2J0,MKSIPLILMGCGGVGRQLLQHIVSCRLIHANLHGVRLRVVGVADSKSLLSVPDIFTTELDDNSINEICRLKSNGSSLSSLTSYGAYQVFSNSETITNISEIASHLVRSTGLAVVDCSASSDTIGILQKVVEMNGCIVLANKKPLTSSMENYDKLVLHPHRLRHESTVGAGLPVIVSINRLLSSGDTIHRIVGSLSGTLGYVMSEVEDGKPLSEVVKTAKALGYTEPDPRDDLGGMDVARKALIIARLLGQRIELDSIKVESLYPAEMGPNVMNVEEFLATGVPQLDNNLADRVEKAATNGNVLRYVCVIEGSRCEVGIQEVPKNSALGRLRGSDNVVEVYSRCYSEQPLIIQGAGAGNDTTAAGVLADILDIQDLFT,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_ac300403574b680dbb9f32d5,test
catpreddb_km_km_1db815585ef8b3,catpred_iteration1_km,km,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,O=C(O)C1CCCN1C(=O)C1CCCN1,O=C(O)C1CCCN1C(=O)C1CCCN1,O=C(O)C1CCCN1C(=O)C1CCCN1>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_668310886d09794f507cf2a6,test
catpreddb_km_km_1dbcc39b770c56,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12>>,public_strict_iteration1_fulltrue_msa,,-0.7453987388344485,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_1dc301d805f955,catpred_iteration1_km,km,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O>>,public_strict_iteration1_fulltrue_msa,,-1.42021640338319,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_km_km_1dd7c99a4d5c41,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CCC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O,CCC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O,CCC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(C)C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O>>,public_strict_iteration1_fulltrue_msa,,1.146128035678238,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_1df8d0da677df4,catpred_iteration1_km,km,Q22492,Q22492,MRLLIPILIFALITTAVTWFYGRDDPDRWSVGGVWPLPKKIVYGSKNRTITYDKIGIDLGDKKDCDILLSMADNYMNKWLFPFPVEMKTGGTEDFIITVTVKDECPSGPPVHGASEEYLLRVSLTEAVINAQTVWGALRAMESLSHLVFYDHKSQEYQIRTVEIFDKPRFPVRGIMIDSSRHFLSVNVIKRQLEIMSMNKLNVLHWHLVDSESFPYTSVKFPELHGVGAYSPRHVYSREDIADVIAFARLRGIRVIPEFDLPGHTSSWRGRKGFLTECFDEKGVETFLPNLVDPMNEANFDFISEFLEEVTETFPDQFLHLGGDEVSDYIVECWERNKKIRKFMEEKGFGNDTVLLENYFFEKLYKIVENLKLKRKPIFWQEVFDNNIPDPNAVIHIWKGNTHEEIYEQVKNITSQNFPVIVSACWYLNYIKYGADWRDEIRGTAPSNSRYYYCDPTNFNGTVAQKELVWGGIAAIWGELVDNTNIEARLWPRASAAAERLWSPAEKTQRAEDAWPRMHELRCRLVSRGYRIQPNNNPDYCPFEFDEPPATKTEL,CC(O)=NC1C(Oc2ccc([N+](=O)[O-])cc2)OC(CO)C(O)C1O,CC(O)=NC1C(Oc2ccc([N+](=O)[O-])cc2)OC(CO)C(O)C1O,CC(O)=NC1C(Oc2ccc([N+](=O)[O-])cc2)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_bf09a0f05e74c8189be07ade,test
catpreddb_km_km_1dfc56525b7d0c,catpred_iteration1_km,km,P30235,P30235,MREKDYVVIIGSANIDVAGYSHESLNYADSNPGKIKFTPGGVGRNIAQNLALLGNKAWLLSAVGSDFYGQSLLTQTNQSGVYVDKCLIVPGENTSSYLSLLDNTGEMLVAINDMNISNAITAEYLAQHGEFIQRAKVIVADCNISEEALAWILDNAANVPVFVDPVSAWKCVKVRDRLNQIHTLKPNRLEAETLSGIALSGREDVAKVAAWFHQHGLNRLVLSMGGDGVYYSDISGESGWSAPIKTNVINVTGAGDAMMAGLASCWVDGMPFAESVRFAQGCSSMALSCEYTNNPDLSIANVISLVENAECLN,O=c1[nH]cc(C2OC(CO)C(O)C2O)c(=O)[nH]1,O=c1[nH]cc(C2OC(CO)C(O)C2O)c(=O)[nH]1,O=c1[nH]cc(C2OC(CO)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_7866c413ef1b3a3833a78b0d,test
catpreddb_km_km_1e0368be629cfe,catpred_iteration1_km,km,O50215,O50215,MTLKKDMAVDIDSTNFRQAVALFATGIAVLSAETEEGDVHGMTVNSFTSISLDPPTVMVSLKSGRMHELLTQGGRFGVSLLGESQKVFSAFFSKRAMDDTPPPAFTIQAGLPTLQGAMAWFECEVESTVQVHDHTLFIARVSACGTPEANTPQPLLFFASRYHGNPLPLN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C>>,public_strict_iteration1_fulltrue_msa,,-2.151821805633337,,s_b28907c2bd04d1cb9aa313a2,test
catpreddb_km_km_1e13116f1c0037,catpred_iteration1_km,km,Q8TGI8,Q8TGI8,MRNGLLKVAALAAASAVNGENLAYSPPFYPSPWANGQGDWAEAYQKAVQFVSQLTLAEKVNLTTGTGWEQDRCVGQVGSIPRLGFPGLCMQDSPLGVRDTDYNSAFPAGVNVAATWDRNLAYRRGVAMGEEHRGKGVDVQLGPVAGPLGRSPDAGRNWEGFAPDPVLTGNMMASTIQGIQDAGVIACAKHFILYEQEHFRQGAQDGYDISDSISANADDKTMHELYLWPFADAVRAGVGSVMCSYNQVNNSYACSNSYTMNKLLKSELGFQGFVMTDWGGHHSGVGSALAGLDMSMPGDIAFDSGTSFWGTNLTVAVLNGSIPEWRVDDMAVRIMSAYYKVGRDRYSVPINFDSWTLDTYGPEHYAVGQGQTKINEHVDVRGNHAEIIHEIGAASAVLLKNKGGLPLTGTERFVGVFGKDAGSNPWGVNGCSDRGCDNGTLAMGWGSGTANFPYLVTPEQAIQREVLSRNGTFTGITDNGALAEMAAAASQADTCLVFANADSGEGYITVDGNEGDRKNLTLWQGADQVIHNVSANCNNTVVVLHTVGPVLIDDWYDHPNVTAILWAGLPGQESGNSLVDVLYGRVNPGKTPFTWGRARDDYGAPLIVKPNNGKGAPQQDFTEGIFIDYRRFDKYNITPIYEFGFGLSYTTFEFSQLNVQPINAPPYTPASGFTKAAQSFGQPSNASDNLYPSDIERVPLYIYPWLNSTDLKASANDPDYGLPTEKYVPPNATNGDPQPIDPAGGAPGGNPSLYEPVARVTTIITNTGKVTGDEVPQLYVSLGGPDDAPKVLRGFDRITLAPGQQYLWTTTLTRRDISNWDPVTQNWVVTNYTKTIYVGNSSRNLPLQAPLKPYPGI,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_75ed30970c46263bfbfb163d,test
catpreddb_km_km_1e1a18e80edef4,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_1e1cb988a847ef,catpred_iteration1_km,km,P10633,P10633,MELLNGTGLWSMAIFTVIFILLVDLMHRRHRWTSRYPPGPVPWPVLGNLLQVDLSNMPYSLYKLQHRYGDVFSLQKGWKPMVIVNRLKAVQEVLVTHGEDTADRPPVPIFKCLGVKPRSQGVILASYGPEWREQRRFSVSTLRTFGMGKKSLEEWVTKEAGHLCDAFTAQAGQSINPKAMLNKALCNVIASLIFARRFEYEDPYLIRMVKLVEESLTEVSGFIPEVLNTFPALLRIPGLADKVFQGQKTFMALLDNLLAENRTTWDPAQPPRNLTDAFLAEVEKAKGNPESSFNDENLRMVVVDLFTAGMVTTATTLTWALLLMILYPDVQRRVQQEIDEVIGQVRCPEMTDQAHMPYTNAVIHEVQRFGDIAPLNLPRFTSCDIEVQDFVIPKGTTLIINLSSVLKDETVWEKPHRFHPEHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVPVGQPRPSTHGFFAFPVAPLPYQLCAVVREQGL,COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1,COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1,COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1>>,public_strict_iteration1_fulltrue_msa,,-1.193582651012126,,s_365f886fcc63c11e2d2d706e,test
catpreddb_km_km_1e23bcc2dbfb50,catpred_iteration1_km,km,A0A067YIW8,A0A067YIW8,MAIPDEFDIIVVGGGSTGCCIAGRLGNLDPNVTVALIEGGENNLNNPWVYLPGVYPRNMRLDSKTATFYEARPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWESEGWTTDELMPLIRKLETYQRPCNNRELHGFDGPIKVSFGNYTYPTCQDFLRACESQGIPYVDDLEDFKTSHGAEHWLKWINRDLGRRSDTAHAYIHPTMRNKQNLFLITSTKCDKVIIEDGKAVAVKTVAMKPVNTKKCHGRTYKARKQIVVSCGTISSPLVLQRSGIGAAHHLRSVGIKPIVDLPGVGENFQDHYCFFTPYYVKPGVPTFDDFVRGDPVAQKSAFDQWYSNKDGPLTTNGIEAGVKIRPTEEELATADEDFRAGYADYFENKPDKPLMHYSVISGYFGDHTKIPNGKFMTMFHFLEYPFSRGFVRVTSANPYDAPDFDTGFLNDERDLWPMVWAYKKSRETARRMESFAGEVTSHHPLFKVDSPARAKDLDLETCNAFAGPNHLTANLYHGSWTVPIEKPSGKNTQHVSSNQVEIFSDIEYSAEDDEAIVNYIKEHTETTWHCLGTCSMAPREGSKIAPKGGVVDCRLNVHGVQNLKVADLSICPDNVGCNTYSTALTIGEKCATLVAEDLGYSGSDLDMTIPNFKLGTYEETGLARF,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,0.7331972651065695,,s_fd3ef2f6ad3f9712e85b68df,test
catpreddb_km_km_1e3569dc1b1115,catpred_iteration1_km,km,A0A7I8I5R5,A0A7I8I5R5,MYDLIVIGAGSGGVRASRISAGHGAKVALIEPSLSHGPPNFSAVGGTCVNVGCVPKKLMVYGSHMSHDLHYAKSYGWHTPDHVAHDWGTLMANKDKEISRLNGVYINMLKNSGVDLIQGFGSFVDAHTVAIKADQAENPAGRTITGDKVLIATGSWPFVPDIPGKEYCVTSNEAFYLRECPKRIVIVGGGYIAVEFACIFKGYGADVTLMYRGEMFLRGFDDDIRRHLCTEMQELGVHVQLQTNPAKVEKKEDGTYEVTTEKGEVVAADLVMYATGRNPNVKALGLEAVGVELLPKNGAIKVDAYSRTTVDNIYAVGDVTDRINLTPVALHEGHCLADTLFGGKDRKPCHDLVAAAVFSQPPIGTVGLTTERAIQRHERVAVYKSTFRPMLHTMTGAATKALMKILVDVDTDKVLGVHMCGPDAAEIIQGIAIALKMGATKADFDATIGIHPSSAEEFVTMRSPAYYYVKGEKVEKLP,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2798406965940432,,s_0c8b8c2eb2d3f1d4266374b8,test
catpreddb_km_km_1e397e15e5ee0c,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.4814860601221125,,s_955f208818110e17c458234b,test
catpreddb_km_km_1e4f2294b12ecc,catpred_iteration1_km,km,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,CCSC[C@H](N)C(=O)O,CCSC[C@H](N)C(=O)O,CCSC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1958996524092337,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_1e68faeff23959,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CCC1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C,CCC1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C,CCC1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_1e811f6eb40f56,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,OCCS,OCCS,OCCS>>,public_strict_iteration1_fulltrue_msa,,0.6416166824443768,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_1e8a90015199d5,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NOCCC(N)C(=O)O,N=C(N)NOCCC(N)C(=O)O,N=C(N)NOCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_1e8e1c7be660db,catpred_iteration1_km,km,Q13572,Q13572,MQTFLKGKRVGYWLSEKKIKKLNFQAFAELCRKRGMEVVQLNLSRPIEEQGPLDVIIHKLTDVILEADQNDSQSLELVHRFQEYIDAHPETIVLDPLPAIRTLLDRSKSYELIRKIEAYMEDDRICSPPFMELTSLCGDDTMRLLEKNGLTFPFICKTRVAHGTNSHEMAIVFNQEGLNAIQPPCVVQNFINHNAVLYKVFVVGESYTVVQRPSLKNFSAGTSDRESIFFNSHNVSKPESSSVLTELDKIEGVFERPSDEVIRELSRALRQALGVSLFGIDIIINNQTGQHAVIDINAFPGYEGVSEFFTDLLNHIATVLQGQSTAMAATGDVALLRHSKLLAEPAGGLVGERTCSASPGCCGSMMGQDAPWKAEADAGGTAKLPHQRLGCNAGVSPSFQQHCVASLATKASSQ,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O,O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-4.522878745280337,,s_d09cb30f5f82458f11cec8b0,test
catpreddb_km_km_1e912b30a67f35,catpred_iteration1_km,km,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,2.414973347970818,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_1e9a3f37116067,catpred_iteration1_km,km,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,NCCC(=O)Nc1ccc([N+](=O)[O-])cc1,NCCC(=O)Nc1ccc([N+](=O)[O-])cc1,NCCC(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_0c3e58e911f51068e88986ab,test
catpreddb_km_km_1eb4676b90c1d8,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)([O-])O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6516951369518391,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_1ebb96113c2228,catpred_iteration1_km,km,Q9FDD4,Q9FDD4,MSSALTDLFPLPIVQAPMAGGVSVPQLAAAVCEAGGLGFLAAGYKTADGMYQEIKRLRGLTGRPFGVNVFMPQPELAESGAVEVYAHQLAGEAAWYETELGDPDGGRDDGYDAKLAVLLDDPVPVVSFHFGVPDREVIARLRRAGTLTLVTATTPEEARAVEAAGADAVIAQGVEAGGHQGTHRDSSEDDGAGIGLLSLLAQVREAVDIPVVAAGGIMRGGQIAAVLAAGADAAQLGTAFLATDESGAPGPHKRALTDPLFARTRLTRAFTGRPARSLVNRFLREHGPYAPAAYPDVHHLTSPLRKAAAKAGDAQGMALWAGQGHRMARELPAGRLVEVLAAELAEARTALSDASRENESRKG,CCC[N+](=O)[O-],CCC[N+](=O)[O-],CCC[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.5526682161121932,,s_bc717ed91b40bf007e2a0ed3,test
catpreddb_km_km_1ec6187e0f72f2,catpred_iteration1_km,km,B3Y9H7,B3Y9H7,MELDKEEPEKPLPFTLRRFCISEDFGFLLPNPLTELPDDYRPWMEIASNLPQLIESCQLRARVDKMPLLSCQSLKSYREQHLAHLVLSFITMGYVWQGGEKNTVQVLPRNLALPFVEVSQSLGLPAILVHSDFVLVNWKKKNPDGPLEIGNLDTIVSLPGGDSLKGFILVTWLVEKAAVPGIKALVQAVNAILQSKEDSLCQAMQQLAGSIDEMTWALRQMHDYVDPAIFYAVIRIFLSGWKDNSAMPEGLIYEGISAEPLKYSGGSAAQSTALQVFDELLGIHHNKQSAAFLHRMRNYMPPLHKAFIEEIRAAPSLRQHILSSENSQLYGAYNKCVTALVELRTHHIIIVTKYIITAAANAKANRGKPDQQLGHLPGPPQSLEKRGTGGSGILSFLKSVRDTTKEAMINRGI,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.7951845896824237,,s_47e4fbf0a2f31494ff8e26c0,test
catpreddb_km_km_1ed80382bd31f4,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_1ee8b1effd4b5a,catpred_iteration1_km,km,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.1135092748275181,,s_2bf532d075628659b9957308,test
catpreddb_km_km_1eea4de7102270,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)Sc1ccccn1,O=C(O)CN=C(O)Sc1ccccn1,O=C(O)CN=C(O)Sc1ccccn1>>,public_strict_iteration1_fulltrue_msa,,-1.4436974992327127,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_1f00679bcd01c1,catpred_iteration1_km,km,Q5JDG9,Q5JDG9,MKLDVIGIGNLNYDIIFTLERFPEFHEKINARGAHFGLGGAAANTISWLAHFGLKTGYIGAVGNDDVGEMHIKYFQGIGVDTGGIDVVEEPSGVAVAMVAGDDKRIVKYPGANLRRRFKPEYASRAKFLHLSSNPPELIEEAVNFASQRGIKVSLDIGEAPLPRELESKVDYLMMNEDEYRRKYGSLDPSLCRAKNLVVTLNGGGALVREGDNVFEVRGLSAKVVDSTGAGDSFDAGVIYGVLNGWSLLDSAKLGMLLAYLTVQKVGARSAIVPLEEVKRIAREVGLDLPFNRT,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2757241303992109,,s_f908f38bc94d284bc9412649,test
catpreddb_km_km_1f0c5690da3c09,catpred_iteration1_km,km,Q12571,Q12571,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSINTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_7be56673c21fd425bdc26c98,test
catpreddb_km_km_1f3187f643dd43,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.00436480540245,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_1f35cbf5cba8a2,catpred_iteration1_km,km,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,COc1ccccc1O,COc1ccccc1O,COc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3419886033428876,,s_55a74685ac62fb5c184ff381,test
catpreddb_km_km_1f3e2c4651dde9,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Cc1nc(N)c2ncnc-2[nH]1,Cc1nc(N)c2ncnc-2[nH]1,Cc1nc(N)c2ncnc-2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.494850021680094,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_1f41301be51d3c,catpred_iteration1_km,km,Q4X1A4,Q4X1A4,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3222192947339193,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_1f7071cef37d51,catpred_iteration1_km,km,P37666,P37666,MKPSVILYKALPDDLLQRLQEHFTVHQVANLSPQTVEQNAAIFAEAEGLLGSNENVNAALLEKMPKLRATSTISVGYDNFDVDALTARKILLMHTPTVLTETVADTLMALVLSTARRVVEVAERVKAGEWTASIGPDWYGTDVHHKTLGIVGMGRIGMALAQRAHFGFNMPILYNARRHHKEAEERFNARYCDLDTLLQESDFVCLILPLTDETHHLFGAEQFAKMKSSAIFINAGRGPVVDENALIAALQKGEIHAAGLDVFEQEPLSVDSPLLSMANVVAVPHIGSATHETRYGMAACAVDNLIDALQGKVEKNCVNPHVAD,O=C(O)C(=O)CO,O=C(O)C(=O)CO,O=C(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_d75c553801007e38e2c3b60c,test
catpreddb_km_km_1f70a45c0b7ba5,catpred_iteration1_km,km,G3H935,G3H935,MGDAPSPEEKLHLITRNLQEVLGEEKLKEILKERELKVYWGTATTGKPHVAYFVPMSKIADFLKAGCEVTILFADLHAYLDNMKAPWELLELRTSYYENVIKAMLESIGVPLEKLKFIKGTDYQLSKEYTLDVYRLSSVVTQHDAKKAGAEVVKQVEHPLLSGLLYPGLQALDEEYLKVDAQFGGVDQRKIFTFAEKYLPALGYSKRVHLMNPMVPGLTGSKMSSSEEESKIDLLDRKEDVKKKLKKAFCEPGNVENNGVLSFIKHVLFPLKSEFVILRDEKWGGNKTYTVYLELEKDFAAEVVHPGDLKNSVEVALNKLLDPIREKFNTPALKKLASAAYPDPPKQKPTAKGPAKNSEPEEIIPSRLDIRVGKIVSVEKHPDADSLYVEKIDVGEAEPRTVVSGLVQFVPKEELQDRLVVVLCNLKPQKMRGVDSQGMLLCASIEGVSRQVEPLDPPEGSAPGERVFVKGYEKGQPDEELKPKKKVFEKLQADFRISEECIAQWKQTNFMTKLGCISCKSLKGGNIS,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.835647144215563,,s_e231c9785d0e8063370a576d,test
catpreddb_km_km_1f9acb92e83ac1,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,NC(CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)C(=O)O,NC(CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)C(=O)O,NC(CCCC(=O)NC1C(=O)N2C(C(=O)O)=C(CO)CSC12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_1fbc5516f7d4cf,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC1=C(/C=C/C(C)O)C(C)(C)CCC1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-2.0132282657337552,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_1fbf9f18a2d0da,catpred_iteration1_km,km,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)nc1=N,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)nc1=N,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)nc1=N>>,public_strict_iteration1_fulltrue_msa,,-0.7644715530924511,,s_205b4fb49279b335382e3627,test
catpreddb_km_km_1fd4e2c637161d,catpred_iteration1_km,km,O60658,O60658,MGCAPSIHISERLVAEDAPSPAAPPLSSGGPRLPQGQKTAALPRTRGAGLLESELRDGSGKKVAVADVQFGPMRFHQDQLQVLLVFTKEDNQCNGFCRACEKAGFKCTVTKEAQAVLACFLDKHHDIIIIDHRNPRQLDAEALCRSIRSSKLSENTVIVGVVRRVDREELSVMPFISAGFTRRYVENPNIMACYNELLQLEFGEVRSQLKLRACNSVFTALENSEDAIEITSEDRFIQYANPAFETTMGYQSGELIGKELGEVPINEKKADLLDTINSCIRIGKEWQGIYYAKKKNGDNIQQNVKIIPVIGQGGKIRHYVSIIRVCNGNNKAEKISECVQSDTHTDNQTGKHKDRRKGSLDVKAVASRATEVSSQRRHSSMARIHSMTIEAPITKVINIINAAQESSPMPVTEALDRVLEILRTTELYSPQFGAKDDDPHANDLVGGLMSDGLRRLSGNEYVLSTKNTQMVSSNIITPISLDDVPPRIARAMENEEYWDFDIFELEAATHNRPLIYLGLKMFARFGICEFLHCSESTLRSWLQIIEANYHSSNPYHNSTHSADVLHATAYFLSKERIKETLDPIDEVAALIAATIHDVDHPGRTNSFLCNAGSELAILYNDTAVLESHHAALAFQLTTGDDKCNIFKNMERNDYRTLRQGIIDMVLATEMTKHFEHVNKFVNSINKPLATLEENGETDKNQEVINTMLRTPENRTLIKRMLIKCADVSNPCRPLQYCIEWAARISEEYFSQTDEEKQQGLPVVMPVFDRNTCSIPKSQISFIDYFITDMFDAWDAFVDLPDLMQHLDNNFKYWKGLDEMKLRNLRPPPE,N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.9065783148377652,,s_4656222f4a78f7533f16bc5a,test
catpreddb_km_km_200fb16ad002b4,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)[C@H](N)C(O)=Nc1ccc2ccccc2c1,CC(C)[C@H](N)C(O)=Nc1ccc2ccccc2c1,CC(C)[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_2015fc33d8ffc6,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_202a8bfab65edb,catpred_iteration1_km,km,A0A067YIW8,A0A067YIW8,MAIPDEFDIIVVGGGSTGCCIAGRLGNLDPNVTVALIEGGENNLNNPWVYLPGVYPRNMRLDSKTATFYEARPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWESEGWTTDELMPLIRKLETYQRPCNNRELHGFDGPIKVSFGNYTYPTCQDFLRACESQGIPYVDDLEDFKTSHGAEHWLKWINRDLGRRSDTAHAYIHPTMRNKQNLFLITSTKCDKVIIEDGKAVAVKTVAMKPVNTKKCHGRTYKARKQIVVSCGTISSPLVLQRSGIGAAHHLRSVGIKPIVDLPGVGENFQDHYCFFTPYYVKPGVPTFDDFVRGDPVAQKSAFDQWYSNKDGPLTTNGIEAGVKIRPTEEELATADEDFRAGYADYFENKPDKPLMHYSVISGYFGDHTKIPNGKFMTMFHFLEYPFSRGFVRVTSANPYDAPDFDTGFLNDERDLWPMVWAYKKSRETARRMESFAGEVTSHHPLFKVDSPARAKDLDLETCNAFAGPNHLTANLYHGSWTVPIEKPSGKNTQHVSSNQVEIFSDIEYSAEDDEAIVNYIKEHTETTWHCLGTCSMAPREGSKIAPKGGVVDCRLNVHGVQNLKVADLSICPDNVGCNTYSTALTIGEKCATLVAEDLGYSGSDLDMTIPNFKLGTYEETGLARF,CCCO,CCCO,CCCO>>,public_strict_iteration1_fulltrue_msa,,1.3963737275365065,,s_fd3ef2f6ad3f9712e85b68df,test
catpreddb_km_km_206925d4fa8b45,catpred_iteration1_km,km,Q88IJ7,Q88IJ7,MSDRYAVIGRPINHTKSPLIHGLFAQASNQQLEYGAIEGSLDDFEAQVLQFRSEGGKGMNITAPFKLRAFELADRRSERAQLARAANALKFEDGRIVAENFDGIGLLRDIEENLGEPLRNRRVLLLGAGGAVRGALLPFLQAGPSELVIANRDMAKALALRNELDHSRLRISRYEALEGQSFDIVVNATSASLTADLPPLPADVLGEAALAYELAYGKGLTPFLRLAREQGQARLADGVGMLVEQAAEAFAWWRGVRPDTRAVINQLTIPLE,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-1.1805050165145692,,s_0c0d843b21f182e40510ca14,test
catpreddb_km_km_207ec3883d69c8,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,Nc1ccc(Cl)cc1,Nc1ccc(Cl)cc1,Nc1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_208c7ffb207b9b,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=P(O)(O)OCC(O)C(O)C(O)CO,O=P(O)(O)OCC(O)C(O)C(O)CO,O=P(O)(O)OCC(O)C(O)C(O)CO>>,public_strict_iteration1_fulltrue_msa,,-1.0054976921507317,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_20a9ff09720894,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Nc1nc(N)c2[nH]cnc2n1,Nc1nc(N)c2[nH]cnc2n1,Nc1nc(N)c2[nH]cnc2n1>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_20caf1cd30fd6b,catpred_iteration1_km,km,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_140aab011c2ec3f979562c0c,test
catpreddb_km_km_20d0db488e2900,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCCCC(=O)CC(O)=NC1CCOC1=O,CCCCCCCCCC(=O)CC(O)=NC1CCOC1=O,CCCCCCCCCC(=O)CC(O)=NC1CCOC1=O>>,public_strict_iteration1_fulltrue_msa,,-0.3565473235138126,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_20d211d6dca28f,catpred_iteration1_km,km,P08069,P08069,MKSGSGGGSPTSLWGLLFLSAALSLWPTSGEICGPGIDIRNDYQQLKRLENCTVIEGYLHILLISKAEDYRSYRFPKLTVITEYLLLFRVAGLESLGDLFPNLTVIRGWKLFYNYALVIFEMTNLKDIGLYNLRNITRGAIRIEKNADLCYLSTVDWSLILDAVSNNYIVGNKPPKECGDLCPGTMEEKPMCEKTTINNEYNYRCWTTNRCQKMCPSTCGKRACTENNECCHPECLGSCSAPDNDTACVACRHYYYAGVCVPACPPNTYRFEGWRCVDRDFCANILSAESSDSEGFVIHDGECMQECPSGFIRNGSQSMYCIPCEGPCPKVCEEEKKTKTIDSVTSAQMLQGCTIFKGNLLINIRRGNNIASELENFMGLIEVVTGYVKIRHSHALVSLSFLKNLRLILGEEQLEGNYSFYVLDNQNLQQLWDWDHRNLTIKAGKMYFAFNPKLCVSEIYRMEEVTGTKGRQSKGDINTRNNGERASCESDVLHFTSTTTKYGSQVEDQRECVSRQEYRKYGGAKLNRLNPGNYTARIQATSLSGNGSWTDPVFFYVQAKTGYENFIHLIIALPVAVLLIVGGLVIMLYVFHRKRNNSRLGNGVLYASVNPEYFSAADVYVPDEWEVAREKITMSRELGQGSFGMVYEGVAKGVVKDEPETRVAIKTVNEAASMRERIEFLNEASVMKEFNCHHVVRLLGVVSQGQPTLVIMELMTRGDLKSYLRSLRPEMENNPVLAPPSLSKMIQMAGEIADGMAYLNANKFVHRDLAARNCMVAEDFTVKIGDFGMTRDIYETDYYRKGGKGLLPVRWMSPESLKDGVFTTYSDVWSFGVVLWEIATLAEQPYQGLSNEQVLRFVMEGGLLDKPDNCPDMLFELMRMCWQYNPKMRPSFLEIISSIKEEMEPGFREVSFYYSEENKLPEPEELDLEPENMESVPLDPSASSSSLPLPDRHSGHKAENGPGPGVLVLRASFDERQPYAHMNGGRKNERALPLPQSSTC,CN=C(O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(C)O,CN=C(O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(C)O,CN=C(O)[C@H](Cc1c[nH]c2cc(Cl)ccc12)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-2.292429823902064,,s_215f29f7c2049b132e725df1,test
catpreddb_km_km_20f1c88fea70f2,catpred_iteration1_km,km,Q9HAS3,Q9HAS3,MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNTKQDEEQVTVEQDSPRNREHMEDDDEEMQQKGCLERRYDTVCGFCRKHKTTLRHIIWGILLAGYLVMVISACVLNFHRALPLFVITVAAIFFVVWDHLMAKYEHRIDEMLSPGRRLLNSHWFWLKWVIWSSLVLAVIFWLAFDTAKLGQQQLVSFGGLIMYIVLLFLFSKYPTRVYWRPVLWGIGLQFLLGLLILRTDPGFIAFDWLGRQVQTFLEYTDAGASFVFGEKYKDHFFAFKVLPIVVFFSTVMSMLYYLGLMQWIIRKVGWIMLVTTGSSPIESVVASGNIFVGQTESPLLVRPYLPYITKSELHAIMTAGFSTIAGSVLGAYISFGVPSSHLLTASVMSAPASLAAAKLFWPETEKPKITLKNAMKMESGDSGNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWFGNMFDYPQLSFELICSYIFMPFSFMMGVEWQDSFMVARLIGYKTFFNEFVAYEHLSKWIHLRKEGGPKFVNGVQQYISIRSEIIATYALCGFANIGSLGIVIGGLTSMAPSRKRDIASGAVRALIAGTVACFMTACIAGILSSTPVDINCHHVLENAFNSTFPGNTTKVIACCQSLLSSTVAKGPGEVIPGGNHSLYSLKGCCTLLNPSTFNCNGISNTF,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.2393001859423123,,s_9f1cf3571f91ea70ba225e03,test
catpreddb_km_km_20ff7763e53b4c,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.886056647693163,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_210b4b5dcd33d1,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.701152407037244,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_2112337571a89b,catpred_iteration1_km,km,Q4X1A4,Q4X1A4,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_21134de1403c0a,catpred_iteration1_km,km,Q6P6R2,Q6P6R2,MQSWSRVYCSLAKKGHFNRLSHGLQGASSVPLRTYSDQPIDADVTVIGSGPGGYVAAIKAAQLGFKTVCIEKNETLGGTCLNVGCIPSKALLNNSHYYHLAHGKDFASRGIEIPEVRLNLEKMMEQKRSAVKALTGGIAHLFKQNKVVHVNGFGKITGKNQVTATTADGSTQVIGTKNILIATGSEVTPFPGITIDEDTIVSSTGALSLKKVPEKLVVIGAGVIGVELGSVWQRLGADVTAVEFLGHVGGIGIDMEISKNFQRILQKQGFKFKLNTKVTGATKKSDGKIDVSVEAASGGKAEVITCDVLLVCIGRRPFTQNLGLEELGIELDPKGRIPVNTRFQTKIPNIFAIGDVVAGPMLAHKAEDEGIICVEGMAGGAVHIDYNCVPSVIYTHPEVAWVGKSEEQLKEEGVEFKVGKFPFAANSRAKTNADTDGMVKILGHKSTDRILGAHILGPGAGEMVNEAALALEYGASCEDVARVCHAHPTLSEAFREANLAASFGKPINF,O=C(O)CCCCC1CCSS1,O=C(O)CCCCC1CCSS1,O=C(O)CCCCC1CCSS1>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_589386e1b15c5ac08f384272,test
catpreddb_km_km_21203819da3bbc,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.214670164989233,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_2130a1d3fcb39b,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.3565473235138126,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_213749112070aa,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_213c1ef2e514a2,catpred_iteration1_km,km,P22045,P22045,MAGVDKAMVTLSNGVKMPQFGLGVWQSPAGEVTENAVKWALCAGYRHIDTAAIYKNEESVGAGLRASGVPREDVFITTKLWNTEQGYESTLAAFEESRQKLGVDYIDLYLIHWPRGKDILSKEGKKYLDSWRAFEQLYKEKKVRAIGVSNFHIHHLEDVLAMCTVTPMVNQVELHPLNNQADLRAFCDAKQIKVEAWSPLGQGKLLSNPILSAIGAKYNKTAAQVILRWNIQKNLITIPKSVHRERIEENADIFDFELGAEDVMSIDALNTNSRYGPDPDEAQF,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.9030899869919435,,s_32000de84ce188b22e1d028d,test
catpreddb_km_km_21575185ca3f2d,catpred_iteration1_km,km,P05342,P05342,MASVIIDDTTLRDGEQSAGVAFNADEKIAIARALAELGVPELEIGIPSMGEEEREVMHAIAGLGLSSRLLAWCRLCDVDLAAARSTGVTMVDLSLPVSDLMLHHKLNRDRDWALREVARLVGEARMAGLEVCLGCEDASRADLEFVVQVGEVAQAAGARRLRFADTVGVMEPFGMLDRFRFLSRRLDMELEVHAHDDFGLATANTLAAVMGGATHINTTVNGLGERAGNAALEECVLALKNLHGIDTGIDTRGIPAISALVERASGRQVAWQKSVVGAGVFTHEAGIHVDGLLKHRRNYEGLNPDELGRSHSLVLGKHSGAHMVRNTYRDLGIELADWQSQALLGRIRAFSTRTKRRSPQPAELQDFYRQLCEQGNPELAAGGMA,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3502480183341628,,s_6e4b7284fdb6b6c84f56dd03,test
catpreddb_km_km_21768c57673fa7,catpred_iteration1_km,km,Q1M0X9,Q1M0X9,MLRYLVLASLIACSLSAVPKAKRPRLDGRIVGGRPADIADYPYQLSFEYYGSHMCGASIISPNWVVTAAHCVDGVSASSATFRAGGSIRESGGSVHQATQLIANPNYDYYTIDFDVAVARVSPAFSYGTGVQPIPLASSEPSAGQIATVSGWGTTSEGGSTLPSQLQVVSVPIVSRSECNQAYSDYGGITDDMICAAEQQGGKDACQGDSGGPLVVNGQLAGIVSWGVGCAEQGYPGVYSNVASLKGFITEQTGVN,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H](CC(C)C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H](CC(C)C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H](CC(C)C)N=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_372186b78485d574b1ed8d53,test
catpreddb_km_km_2177660819dd27,catpred_iteration1_km,km,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.683771353907638,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_km_km_2179e5e3769907,catpred_iteration1_km,km,Q05A13,Q05A13,MNSVADTAIFFGKFLYYFLESLVFKVIPKRKKDVSGEIVLITGAGSGLGRLLAIHFASHGATLVLWDINQEGNMETCRLVKQKGDVKVFAYKCDCSSRIEVYRVADQVKEEVGDVTILINNAGVVTGKSFLNTPDHLVEKSFLVNAISHFWTCKAFLPAMVKANHGHLVCISSIAGLVGINGLSDYSSSKFAAFGFAESLFLELTMIMKTKVKSTIVCPYFIKTGMFEGCTTKYPLLLPLLEQEYVAQKIFNAILEEQVYLIIPKFAYVALFLKQIISPKMMIALGEYLGVDTCMTSFTGRVKAEELQMETKRKEQ,CC1=C(/C=C/C(C)=C/C=C\C(C)=C\CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C\C(C)=C\CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C\C(C)=C\CO)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-1.0655015487564323,,s_80451f6193ec13c29c76f6e2,test
catpreddb_km_km_219aa2af113e79,catpred_iteration1_km,km,F4NCC2,F4NCC2,MKRVLLLFDVDGTLTPPRLCQTDEMRALIKRARGAGFCVGTVGGSDFAKQVEQLGRDVLTQFDYVFAENGLLAYRNGLEIHRQSLLNALGNDRIVKFVKKTLRLIADLDIPVQRGTFVEYRNGMINVSPIGRNCSQAERDEFEVYDNEHRVRASLIAELENSFPDFGLKYSIGGQISFDVFPVGWDKTYCLQFVEDDFEEIHFFGDKTQEGGNDYEIYTDKRTIGHKVTSYKDTIAEVEKIIAMK,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4854522473397139,,s_84f59c158e3862b0145221e1,test
catpreddb_km_km_219d0646f56a44,catpred_iteration1_km,km,Q3A7N7,Q3A7N7,MADEIFDLIVLGAGPGGYVGAIRAAQLGMKVAVVESRPTLGGVCLNEGCIPSKALLDSSEHFALARDKFDMHGIEIPAPKLNLAKMMERKEGVVSDLTGGIAFLFKKNKVTWIKGRGKLLGAGGDGLQQVEVTGKNAGVVKGKNVLLATGGKVAQVPGITVDNDVIIDNVGALSIDKVPEHLMIIGAGYIGLELGSVWLRLGSKVTVVEMLPKMLPKTDADTTQALQRSLKKQGMTFNMGTTVGGIEVSGGKATVKLVKNDKEKEVVCDKVLMSIGRKPNTDGLGLEELGVEMGERGTIKVDDNYATNVPGIYAIGDLIPGPMLAHKASEEAVVFVERLVGKNSEVHYGTIPGVCYTWPEVASVGKTEQQLQEEGTPVKVGKFNFVGNGRARAMAETEGFVKIIAHAENGQVLGVHIFGPRASDMIAEAVAVMSYGGTAHDIGAMFHGHPTLSEAVKEAALDVDGAAVHC,NC(=O)CCCCC1CCSS1,NC(=O)CCCCC1CCSS1,NC(=O)CCCCC1CCSS1>>,public_strict_iteration1_fulltrue_msa,,0.568201724066995,,s_d02c2fdf8b0ae996ba178ff8,test
catpreddb_km_km_21a46a2c0829e3,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,O=C(O)[C@H]1CCCN1,O=C(O)[C@H]1CCCN1,O=C(O)[C@H]1CCCN1>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_21c962eee8899f,catpred_iteration1_km,km,Q71SU7,Q71SU7,MSYGIVMNMNLCIITSFLLLDPVLSSRLNAFQNVNNVLIPSIENTIINNSIAADIDLHNDKTTICSSDNPVVHTSVGIYCGLREIVHWPNGPASMVDVYYGIRYAQSPTGSLRFKKPVEPIPEPKKIFMADKLPPTCPQPKDTMFQNSAAARMWVPNTPMSEDCLFLNIWVPIKESNGSHPNSKEKLAVMLWIYGGSFYMGTSTLSVYDARFLAARQNIIVASMNYRLGSFGFLYMNTEEAPGNMGLWDQRLAMKWIKDHIEHFGGDPYRITLFGESAGAVSVSTHVVSPWSHSYYNNAIMQSGSIFSNWGLATSEVSLNQTQRLAKILGCGYRSSNDQIKCLRSKSITEILDAHDTMYDPASYFSVPFPPVLDNNFFPYENSQSFRQLKYLKPSGALMFGINKNEGSYFLLYAFVSNSKWMKNLTDLPITNRMDYLRCLRQVLDLDDDDERPEFTEPLIRYTDFEYQTYQQLPTLESWTERLEEISSDRSFKCPTINMATAVTNDYRIPGRRRAHTLPVYFYEFQHRTVSLPMPKWTGTMHGYEIEYVFGIPFSPQFQASFYRFTDEERQLSDIMMTYWANFARTGDPNILPDGRHVTDNLNPDDPDEITEDQLKDSLSHKQGSKNPFIGWPEFRNSTKAYIVFRSAPANLLVSTRPRHRQCLFWRRWYPALLQQVERNRQHCLGV,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.4271283977995198,,s_2554d19e6560f910223a6f5f,test
catpreddb_km_km_21cc1647e2b537,catpred_iteration1_km,km,A0A3P6CCG5,A0A3P6CCG5,MAAAAAKAAVVLPRPVTFVTGNAKKLEEVKAIIGSSIPFKSLKLDLPELQGEPEDISKEKARLAALQVNGPVLVEDTCLCFNALKGLPGIKWFLEKLGHEGCLNNLLMAYEDKSAYALCAFSFSHGPGAEPLTFLGKTPGKIVPARGPTDFGWDPVFQPDGYDQTYAEMAKEEKNKISHRYKSLAMVKSHFKEAGYVFQTTDDDTN,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_ae154348562e7fd12edbc39d,test
catpreddb_km_km_21ddfc1fe43d7d,catpred_iteration1_km,km,P52789,P52789,MIASHLLAYFFTELNHDQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPTFVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYAIPEDIMRGSGTQLFDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSWTKGFKSSGVEGRDVVALIRKAIQRRGDFDIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMRHIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLFEKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIEGEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAVLQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFLRSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKVEMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLVRVRNGKWGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSLPLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREEFDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELVEGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMISGMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLALLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIRENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDGSGKGAALITAVACRIREAGQR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.0808777828959439,,s_25c30a5c1a74e65251e97a3f,test
catpreddb_km_km_21f868e036d588,catpred_iteration1_km,km,P20445,P20445,MAPKVGINGFGRIGRIVFRNAIEAGTVDVVAVNDPFIETHYAAYMLKYDSQHGQFKGTIETYDEGLIVNGKKIRFHTERDPANIPWGQDGAEYIVESTGVFTTQEKASAHLKGGAKKVVISAPSADAPMFVMGVNNETYKKDIQVLSNASCTTNCLAPLAKVINDNFGIIEGLMTTVHSYTATQKVVDGPSAKDWRGGRTAATNIIPSSTGAAKAVGKVIPSLNGKLTGMAMRVPTSNVSVVDLTVRTEKAVTYDQIKDAVKKASENELKGILGYTEDDIVSTDLNGDTRSSIFDAKAGIALNSNFIKLVSWYDNEWGYSRRVVDLITYISKVDAQ,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_413fe08ecc98d0498e914794,test
catpreddb_km_km_220a4a556d6f12,catpred_iteration1_km,km,B0ZB56,B0ZB56,MELARNDQTEAALRGEANVWKSINGIADFMVMKCALELRIPDIVHSHSAPITLAQIASSVPDSPSLNLSYLSRIMRLLVRRKIFSQHKSLDGEEVLYGPTHSSRLLLSKTTLPDQVTLAPFVAFMTHPYLSAPWSCLARCVKEGGNGFEMVHGGRQLWDLSPGNPEFNKVFNDGMASTARITTMAILSEYRDVFCGICSLVDVGGEFGGSISAIVKSHPHIKGINYDLPHVVATAPTYTGLVSHVGGNMFEWIPTAVAVFMKWILHDWADEDCVKILKNCRRAMPEKGGKIIIVDIVLEPEGNGLFDDAAVMLDIALMALTRGKERTEKEWKRVLEEGGFPRYQILKIPALTSVIEAYPQ,CC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O,CC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O,CC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_326aeb57bc380be7a0794e2a,test
catpreddb_km_km_2228183121b52a,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,O=CCO,O=CCO,O=CCO>>,public_strict_iteration1_fulltrue_msa,,0.8470831479665992,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_223f6ba6d58883,catpred_iteration1_km,km,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7986028756795485,,s_10643db1da4d21bc18567292,test
catpreddb_km_km_2240c14c36b900,catpred_iteration1_km,km,Q9RUB5,Q9RUB5,MNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFFDPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_6a1c7eefe6967fc0409ab45c,test
catpreddb_km_km_224ecc1255fa72,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_2252a3fb058048,catpred_iteration1_km,km,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.494850021680094,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_km_km_22720752db0bdf,catpred_iteration1_km,km,P07913,P07913,MKALSKLKAEEGIWMTDVPVPELGHNDLLIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVGIGQEVKGFKIGDRVSGEGHITCGHCRNCRGGRTHLCRNTIGVGVNRPGCFAEYLVIPAFNAFKIPDNISDDLAAIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVAKHVGARNVVITDVNEYRLELARKMGITRAVNVAKENLNDVMAELGMTEGFDVGLEMSGAPPAFRTMLDTMNHGGRIAMLGIPPSDMSIDWTKVIFKGLFIKGIYGREMFETWYKMAALIQSGLDLSPIITHRFSIDDFQKGFDAMRSGQSGKVILSWD,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,-0.6526699846830496,,s_4738684cd83688944be39dab,test
catpreddb_km_km_228062dc8de7ed,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1252864504391256,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_22e4f28ea7f809,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.4814860601221125,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_22f328f75a93df,catpred_iteration1_km,km,V5QZ74,V5QZ74,TGLYGEVSGPPAPVSAHVSEEQLPEVRTFTVTAEWSQSDLVRGSRLRYSQQWTLIADSNHHKSIRTVLPPGPCAPVAGELVSAVSPIRGQRAVVRETSGHQLLEIWNHHGLRKCLNLTALKEHGRVYEDVQFGCLSWSECEQKLLYVAEKDKNTHDGESACRKDRSVYCEDWGEALNNKSVPVIFVLNLQNGSVSELQGVPPDVSPGQALWAPGSQSVVFVGWYHEPFRLGLRFCSNRRSAIFKLDLGGNCECVSGSDLSVSCPRLSPDGSTIVYLQGRVFGPHNQCLSLQQLDLRSRKTSTLLEVVNRPLTGEFAGVYEALPPCCWSADSQRVVFSSARRNWKDLYMVDRQSNKVTSLSDSLPDLSKVFGSWKLLTVQKDLMVVCCSSPNTPPTLRVGFLPSAGEAVTWQTLQQPVMTFDLLWTVLDVTPPPEEDNTHYSGLDFGAILVKPTRRLHETKIPLVVFIHGGPHSQFPAEWNSITAGLAQLGFAVLMVNYRGSTGFGQDSILSLIGNIGTQDVKDVQRAVLTALQSDITLDPKRLAVIGGSHGGFLSCHLVGQYPEFYRACAARNPVINAATLLGTSDIVDWRYSSVGLQYSYDQIPTAEALAAMLEKSPITHAAQIKAPVLLMLGGKDRRVSPHQGLELYKALKSRASPVRLLWFPEDGHSLSRVDTQ,CC(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_bd5087d7e1139710bf97278b,test
catpreddb_km_km_2302179a1acaeb,catpred_iteration1_km,km,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCCCCCC(=O)O,CCCCCCCCCC(=O)O,CCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.086186147616284,,s_7c84c2d6fea9905641654dda,test
catpreddb_km_km_23124b48fb3384,catpred_iteration1_km,km,Q8KU73,Q8KU73,MKKIYQWAVGQSFKKLDPRQQVKNPVMFVVYLGALITTILCFYPMGIPLWFNISITIFLWLTLLFANFAEAVAEGRGKAQADSLKQAKKEVMTYKINSLEDIKEENFIELQSSDLKRNDLVYVRAGEQIPADGDVIEGAASVDESAITGESAPVIRESGGDRSAVTGGTTVVSDYLVIRVTSENGQSFLDKMIAMVEGTQRKKTPNEIGLQIFLITLTIIFLTVSITLVPFTDFSSQLSGKGEALSLVIVIALLICLAPTTIGALISSIGIAGMSRLTKENVIAMSGRAIEAAGDVDVLLLDKTGTITLGNRRASDFLPVHGVSEEQLADAAQLSSLADETAEGRSIVILAKERFNLREREFQQSEVKFIDFSAKTRMSGIDYRGDVIRKGAADTMKKYVQSKGEDYPSECDKIVDKIARAGGTPLVVIKNNRVMGVVYLKDIVKNGVKEKFADMRKMGIKTIMITGDNPLTAAAIAAEAGVDDFLAEATPENKMNLIREYQEKGHLVAMTGDGTNDAPALAQADVAMAMNTGTQAAKEAGNMIDLDSSPTKLLQVVQIGKQLLMTRGALTTFSIANDIAKYFAVIPVLFYSIYPQLDRLNIMGLGSPLTAILSAVIYNAVVIVALIPLALKGVRYQEKPASQILSHNLLIYGLGGIIAPFIFIKIIDLILSLIIL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_ae3b3e74d9693ef7920fd516,test
catpreddb_km_km_2315307fbdce70,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.146128035678238,,s_27293a9716281920c2a47964,test
catpreddb_km_km_2356f984198530,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_235da76f37c168,catpred_iteration1_km,km,Q38707,Q38707,MAKSSEIEHPVKAFGWAARDTTGLLSPFKFSRRATGEKDVRLKVLFCGVCHSDHHMIHNNWGFTTYPIVPGHEIVGVVTEVGSKVEKVKVGDNVGIGCLVGSCRSCESCCDNRESHCENTIDTYGSIYFDGTMTHGGYSDTMVADEHFILRWPKNLPLDSGAPLLCAGITTYSPLKYYGLDKPGTKIGVVGLGGLGHVAVKMAKAFGAQVTVIDISESKRKEALEKLGADSFLLNSDQEQMKGARSSLDGIIDTVPVNHPLAPLFDLLKPNGKLVMVGAPEKPFELPVFSLLKGRKLLGGTINGGIKETQEMLDFAAKHNITADVEVIPMDYVNTAMERLVKSDVRYRFVIDIANTMRTEESLGA,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.8721562727482928,,s_84ddf20cad6ec362da938691,test
catpreddb_km_km_236b3747d407b7,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(O)=NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(O)=NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(O)=NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.5525236824878115,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_236cb28b3b8fe5,catpred_iteration1_km,km,A8CF75,A8CF75,MDDNRIRSILVLGGGTAGWMSACYLSKALGPGVEVTVLEAPSISRIRVGEATIPNLHKVFFDFLGIAEDEWMRECNASYKAAVRFVNWRTPGDGQATPRRRPDGRPDHFDHLFGQLPEHENLPLSQYWAHRRLNGLTDEPFDRSCYVQPELLDRKLSPRLMDGTKLASYAWHFDADLVADFLCRFAVQKLNVTHVQDVFTHADLDQRGHITAVNTESGRTLAADLFIDCSGFRSVLMGKVMQEPFLDMSKHLLNDRAVALMLPHDDEKVGIEPYTSSLAMRSGWSWKIPLLGRFGSGYVYSSQFTSQDEAAEELCRMWDVDPAEQTFNNVRFRVGRSRRAWVRNCVAIGVSAMFVEPLESTGLYFSYASLYQLVKHFPDKRFRPILADRFNREVATMYDDTRDFLQAHFSLSPRDDSEFWRACKELPFADGFAEKVEMYRAGLPVELPVTIDDGHYYGNFEAEFRNFWTNSNYYCIFAGLGFLPEHPLPVLEFRPEAVDRAEPVFAAVRRRTEELVATAPTMQAYLRRLHQGT,N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O,N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O,N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_f4c790e7db1bc2c27610f0c9,test
catpreddb_km_km_2381f98323a96c,catpred_iteration1_km,km,Q9FZ80,Q9FZ80,MESKTINDVVVSESNHELASSSPSEFEKNQKHYQEIIATLPHKDGWRPKDPFVEYGGHWWLQPLLEGLLHAQKFFKARPNDFFVCSYPKTGTTWLKALTFAIANRSKFDVSTNPLLKRNPHEFVPYIEIDFPFFPSVDVLKDEGNTLFSTHIPYDLLPESVVKSGCKIVYIWRDPKDTFVSMWTFAHKERSQQGPVVSIEEAFDKYCQGLSAYGPYLDHVLGYWKAYQANPDQILFLKYETMRADPLPYVKRLAEFMGYGFTKEEEEGNVVEKVVKLCSFETLKNLEANKGEKDREDRPAVYANSAYFRKGKVGDWQNYLTPEMVARIDGLMEEKFKGTGFLSSKS,CSCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1870866433571443,,s_b47d79f0e22cf86dfe36ec07,test
catpreddb_km_km_23829c84c17311,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.309803919971486,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_23980387326072,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.4203666173059033,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_23a8c3cc34e550,catpred_iteration1_km,km,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.130333768495006,,s_2d84b510953f7377dca5997d,test
catpreddb_km_km_23bb1de2128d2b,catpred_iteration1_km,km,R4QR01,R4QR01,IVGGSDSREGAWPWVVALYFDDQQVCGASLVSRDWLVSAAHCVYGRNMEPSKWKAVLGLHMASNLTSPQIETRLIDQIVINPHYNKRRKNNDIAMMHLEMKVNYTDYIQPICLPEENQVFSPGRICSIAGWGALIYQGSTADVLQEADVPLLSNEKCQQQMPEYNITENMVCAGYEAGGVDSCQGDSGGPLMCQENNRWLLAGVTSFGYQCALPNRPGVYARVPRFTEWIQSFLH,NCCCC[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)CN)C(O)=Nc1ccc2ccccc2c1,NCCCC[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)CN)C(O)=Nc1ccc2ccccc2c1,NCCCC[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)CN)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.1249387366082999,,s_514810e4fae7517fa92b469a,test
catpreddb_km_km_23cfcb0ac6a83a,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=C(CO)C(O)C(O)COP(=O)(O)O,O=C(CO)C(O)C(O)COP(=O)(O)O,O=C(CO)C(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0487267804143316,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_23f70aab840834,catpred_iteration1_km,km,A0A0G2T690,A0A0G2T690,MVSSLPPIIAGAAIYRLVSSKTLPDLTSAFFELEIPDQISLLSLLFASVFSAVSISGFIAPPGHNDDDDEDEHKPPFQYPLKEIASKTTDKEKFLSVYPCLRDSIAEYFATKHEMVPEGVNWITEMIDYSCVGGKMNRGITVLTVARTLSGSSGLTPREEARASVVGWGIEFLQAFFLVADDLMDDSKTRRGQPCWYLLPKVGTIAVNDSFLLESFVFTFLKEHFGKEPYYIKLVELFLETIQQTECGQLLDLTSQPKDAKTADLSRFTIERYRKIVKYKTAFYSFYLPVASAMLMSGVTNSKSFKTARNICCIMGEYFQIQDDVLDCYGTPEVIGKVGTDIQDNKCSWLIVQALDRATPEQRKVIEENYGKWDDAKVAKIKAIYNEMGLKSVFEKYEEDSYAEIQEELKKINDIPQEVFTLFLDKIYKRSK,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2006594505464183,,s_e69bdfd6698e15450ce39b87,test
catpreddb_km_km_23fa5426b67201,catpred_iteration1_km,km,Q9I5Q5,Q9I5Q5,MPRYLGLMSGTSLDGMDIVLIEQGDRTTLLASHYLPMPAGLREDILALCVPGPDEIARAAEVEQRWVALAAQGVRELLLQQQMSPDEVRAIGSHGQTIRHEPARHFTVQIGNPALLAELTGIDVVADFRRRDVAAGGQGAPLVPAFHQALFGDDDTSRAVLNIGGFSNVSLLSPGKPVRGFDCGPGNVLMDAWIHHQRGEHFDRDGAWAASGQVNHALLASLLADEFFAARGPKSTGRERFNLPWLQEHLARHPALPAADIQATLLELSARSISESLLDAQPDCEEVLVCGGGAFNTALMKRLAMLMPEARVASTDEYGIPPAWMEGMAFAWLAHRFLERLPGNCPDVTGALGPRTLGALYPA,CC(O)=N[C@H]1[C@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O,CC(O)=N[C@H]1[C@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O,CC(O)=N[C@H]1[C@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_1972d3d2436d03537b4151bb,test
catpreddb_km_km_23fb5b535ded48,catpred_iteration1_km,km,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@H]2CSSC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](Cc3ccccc3)N=C2O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N1)[C@@H](C)CC)[C@@H](C)CC)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)C(C)C)[C@@H](C)O)[C@@H](C)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@H]2CSSC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](Cc3ccccc3)N=C2O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N1)[C@@H](C)CC)[C@@H](C)CC)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)C(C)C)[C@@H](C)O)[C@@H](C)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@H]2CSSC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](Cc3ccccc3)N=C2O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N1)[C@@H](C)CC)[C@@H](C)CC)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@@H](CO)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)C(C)C)[C@@H](C)O)[C@@H](C)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_9c1c54ef2ef457891b120064,test
catpreddb_km_km_23fc9ff7ad8f66,catpred_iteration1_km,km,C7T2J8,C7T2J8,MPTVCHQGPVLAGSATLATIGALTLYLGKPTSYGKHSQSVSSGPLLPARVAWFLQELPSFVVPVGMLAWQSRSLFGQPGNVLLGLFSAHYFHRTFIYSLLTRGRPFPVMLFLRAIAFCIGNGFLQAYYLIYCAEYPKEWYTDVRFSVGVFLFILGMGINIHSDYLLRQLRKPGEIIYKIPRGGLFKYVSGANFLGEITEWMGYALASWSIPAFAFAFSSLCFLGVQAFYHHHRFYLKMFKDYPKSRRALIPFIF,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.721246399047171,,s_55db41a8ca612bc25a2b6d19,test
catpreddb_km_km_2401c4c836a8aa,catpred_iteration1_km,km,A0A0N9LF81,A0A0N9LF81,MKLVCSVLFVLLILPMCRSSPLQDTCRSFAAGHPSIGYDYCIRIFQADKSSAEATDARGLAAIAARIAEAKANATAARIASMSALERDARRRDRLSVCAEVYSDAVDQLDQAEEELAHGAKGGGGGIDDAVTQLSAALDAPETCEDAFGEADDTSPLAAEDTEFKNLATVALAIAASLAPPPSMPS,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.5984858083175784,,s_cf8f0b9035eaead8273c1cd8,test
catpreddb_km_km_240a5afeafedd8,catpred_iteration1_km,km,Q9V6K1,Q9V6K1,MFNRFRLVHKQLRLYKNFGLLGQKASVGLTLPIISLSRPYMAYMGTERSVVMITAPATKEFAESSERSNSSKKTTNKEQSDKSAESRMATSGIVESFPTGALVPKAETGVLNFLQKYPEYDGRDVTIAIFDSGVDPRATGLETLCDGKTVKVIERYDCSGCGDVDMKKKVTPDENGNIKGLSGNSLKLSPELMALNTDPEKAVRVGLKSFSDLLPSKVRNNIVAQAKLKHWDKPHKTATANASRKIVEFESQNPGEASKLPWDKKILKENLDFELEMLNSYEKVYGDIKTSYDCILFPTADGWLTIVDTTEQGDLDQALRIGEYSRTHETRNVDDFLSISVNVHDEGNVLEVVGMSSPHGTHVSSIASGNHSSRDVDGVAPNAKIVSMTIGDGRLGSMETGTALVRAMTKVMELCRDGRRIDVINMSYGEHANWSNSGRIGELMNEVVNKYGVVWVASAGNHGPALCTVGTPPDISQPSLIGVGAYVSPQMMEAEYAMRENLNVAKAADVSIYAPIFNDLLYEAEFESQMWMLFDANKALVATGDAHSHTSFTKLDKGEYTIRLQVRHEKRDLLEKISEANLVASFKLTSPLTLDFYENYNQCIVGGRKYVSSPLRLSTRVLYIAPITQERLTKANLPAQCAWLSGNLVFPQDEVGRRVAQHPFTYILNPAEKKSHTNGSSNGSSAAGSTATAAAVTTANGAKPKAPATPQAATSVTNPAAGDGISVQNDPPVDSSGSPASPKKGKANADDYAESFRDFQCSQIVKCELEMAEKIYNDVVAAHPKHLQANLLLIQNIESNQLKSQLPLTFVNAQKTSPPEAGESADKQKEDQKKVRSALERIVKLADKVIQETDSEALLSYYGLKNDTRADAAKIKTNMDKQKNTLIEALSKKGIAVAKLAVLDDCIKDSLAEINELYTEIIKFVDANDSKAIQFALWHAYAHGHYGRMYKYVVKLIEEKRTRDHFVELAAINGALGHEHIRTVINRMMITAFPSSFRLF,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)N=C1C=CC(=[N+](O)O)C=C1,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)N=C1C=CC(=[N+](O)O)C=C1,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)N=C1C=CC(=[N+](O)O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-0.9914849364811356,,s_1c1c49a1455f667d26349e80,test
catpreddb_km_km_2411cb84384cf4,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21>>,public_strict_iteration1_fulltrue_msa,,0.0880456295278406,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_241ef98794d9c1,catpred_iteration1_km,km,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_65b17f02c00084bc7891919d,test
catpreddb_km_km_24310d0720e7f3,catpred_iteration1_km,km,P34736,P34736,MSSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAAVATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLGDYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRLSALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGNETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKADIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSVLPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEGVAERAAKTVAFYKGKDVVSPLRSAF,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_a8398d2297f36238cd95c90d,test
catpreddb_km_km_24342be6f7d214,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](O)[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_f28c949d1503440bae214094,test
catpreddb_km_km_244d1cceeefc07,catpred_iteration1_km,km,P06621,P06621,MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CN(Cc1cnc2nc(=N)[nH]c(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,2.2347702951609163,,s_cca19f92ad8b55dce8e4e7cc,test
catpreddb_km_km_245b723b310544,catpred_iteration1_km,km,A0A286Y392,A0A286Y392,MPEENIFLFVPNLIGYARIVFALISFYFMPCCPLTASSFYLLSGLLDAVDGHAARALNQGTRFGAMLDMLTDRCSTMCLLVNLALLYPRATLLFQLSMSLDVASHWLHLHSSVVRGSESHKMIDLSGNPVLRIYYTSRPALFTLCAGNELFYCLLYLFNFSEGPLVGSVGLFRMGLWITAPIALLKSVISVIHLITAARNMAALDAADRARKK,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_23146ed55028eb525a95a161,test
catpreddb_km_km_2462c69f4a4572,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,Cc1cccc(C(O)=NCC(=O)O)c1,Cc1cccc(C(O)=NCC(=O)O)c1,Cc1cccc(C(O)=NCC(=O)O)c1>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_246b3e6df2882f,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,CSCCC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=NC(CCCNC(=N)N)C(=O)O,CSCCC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=NC(CCCNC(=N)N)C(=O)O,CSCCC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=NC(CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9030899869919436,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_2484b113b5f4d8,catpred_iteration1_km,km,P27306,P27306,MPHSYDYDAIVIGSGPGGEGAAMGLVKQGARVAVIERYQNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDHSRLLRSSFADILNHADNVINQQTRMRQGFYERNHCEILQGNARFVDEHTLALDCPDGSVETLTAEKFVIACGSRPYHPTDVDFTHPRIYDSDSILSMHHEPRHVLIYGAGVIGCEYASIFRGMDVKVDLINTRDRLLAFLDQEMSDSLSYHFWNSGVVIRHNEEYEKIEGCDDGVIMHLKSGKKLKADCLLYANGRTGNTDSLALQNIGLETDSRGQLKVNSMYQTAQPHVYAVGDVIGYPSLASAAYDQGRIAAQALVKGEATAHLIEDIPTGIYTIPEISSVGKTEQQLTAMKVPYEVGRAQFKHLARAQIVGMNVGTLKILFHRETKEILGIHCFGERAAEIIHIGQAIMEQKGGGNTIEYFVNTTFNYPTMAEAYRVAALNGLNRLF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.1655792963184677,,s_7070fe747b7f5a0a85ee64cc,test
catpreddb_km_km_248b930b623065,catpred_iteration1_km,km,P42269,P42269,MKKVNHWINGKNVAGNDYFLTTNPATGEVLADVASGGEAEINQAVATAKEAFPKWANLPMKERARLMRRLGDLIDQNVPEIAAMETADTGLPIHQTKNVLIPRASHNFEFFAEVCQQMNGKTYPVDDKMLNYTLVQPVGVCALVSPWNVPFMTATWKVAPCLALGITAVLKMSELSPLTADRLGELALEAGIPAGVLNVVQGYGATAGDALVRHHDVRAVSFTGGTATGRNIMKNAGLKKYSMELGGKSPVLIFEDADIERALDAALFTIFSINGERCTAGSRIFIQQSIYPEFVKFAERANRVRVGDPTDPNTQVGALISQQHWEKVSGYIRLGIEEGATLLAGGPDKPSDLPAHLKGGNFLRPTVLADVDNRMRVAQEEIFGPVACLLPFKDEAEALRLANDVEYGLASYIWTQDVSKVLRLARGIEAGMVFVNTQFVRDLRHAFGGVKPRTGREGGGYSSKCSRK,O=C(O)CC(=CC=C(O)C(=O)O)C(=O)O,O=C(O)CC(=CC=C(O)C(=O)O)C(=O)O,O=C(O)CC(=CC=C(O)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.3469862025596355,,s_6bbf4cce5f4fd9945a70ab48,test
catpreddb_km_km_2491c7a7612edf,catpred_iteration1_km,km,P05708,P05708,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA,OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_941b077a82856b376a21076e,test
catpreddb_km_km_24af2016954b1a,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.214670164989233,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_24b06a2b038cbe,catpred_iteration1_km,km,O00763,O00763,MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQRNGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGTGTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSVAGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKLPELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGKRISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQVQSEIPGSPIFLMKLAQHARHLTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIRENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.467771005386541,,s_2f44ab60f356ab1568187475,test
catpreddb_km_km_24b2f706b9dde2,catpred_iteration1_km,km,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.7767394615971543,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_km_km_24c312c10e2d56,catpred_iteration1_km,km,Q187D4,Q187D4,MYNKETICVQGNYKPGNGEPRVLPLYQSTTFKYSSIDQLAELFDLKVDGHIYSRISNPTIQAFEEKISLLEGGVSSVAVSSGQSANMLAVLNICKSGDSILCSSKVYGGTFNLLGPSLKKFGIDLISFDLDSSEDEIVELAKENTKVVFAETLANPTLEVIDFEKIANVAKRINVPFIVDNSLASPVLCNPLKYGANIVTHSTTKYLDGHASSVGGIIVDGGNFNWDNGKFPELVEPDPTYHGISYTQKFGNAAYATKARVQLLRDYGNCLSPFNAYLTNLNVETLHLRMERHSENALKIARFLEKHENVDWINYPGLEDNKYYENAKKYLSRGCSGVLSFGVRGGLENAKKFVEKLQIASLVTHVSDVRTCVIHPASTTHRQLTEEQLIASGVLPSLIRLSVGIENVEDLIADLNQALNF,CC(=O)OCC[C@H](N)C(=O)O,CC(=O)OCC[C@H](N)C(=O)O,CC(=O)OCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_ca1d2cddc60a3e3f5b491e27,test
catpreddb_km_km_24dedc1d157d1b,catpred_iteration1_km,km,Q5I6B5,Q5I6B5,MEKIEVSIISRDTIKPSAASSSLHPYKLSIIDQFTPTTYFPVIFFYPITDRVFNLPQTLTDLKNTVSQALTLYHPLSGRIKNNLYIDDFEAGIPYLEARVNFHMIDFLRLPKIEWLNEFVPMAPYRKETISEFLPLLGIQVNIFDSGIAIGVSFSHKINDGQTASCFLKSWVAIFRGYRNKIIHPNLSQAALLLPSRDDLPEKYVAMMERMWFGEKKVVTRRFVFDAKAISALQDEGKSEYVPKPSRVQALTGFLWKHQLAASRALSSGTSTRFSVASQTVNLRSKMNMKTTLDNAIGNIFLWASARLDLNDTAPGSSDLKLCDLVNLLNESIKEFNSDYLEILKGKEGYGGMCDLLDFMEEGSFVEPAPEFYSFSSWTRFFDQVDFGWGRPSWVGFSGRVETRNFTIFVETQCDDGIDAWVTVDEKQMAMLEQDPQFLAFASPNPRISIASSVGMD,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.086962315178989,,s_c7bbaddd8533855138d88c4c,test
catpreddb_km_km_24e48eda9c7a04,catpred_iteration1_km,km,P24133,P24133,MVQVLSVLVIPLLTLFFGYVASSSIDLSVDTSEYNRPLIHFTPEKGWMNDPNGLFYDKTAKLWHLYFQYNPNATAWGQPLYWGHATSNDLVHWDEHEIAIGPEHDNEGIFSGSIVVDHNNTSGFFNSSIDPNQRIVAIYTNNIPDLQTQDIAFSLDGGYTFTKYENNPVIDVSSNQFRDPKVFWHERFKSMDHGCSEIARVKIQIFGSANLKNWVLNSNFSSGYYGNQYGMSRLIEVPIENSDKSKWVMFLAINPGSPLGGSINQYFVGDFDGFQFVPDDSQTRFVDIGKDFYAFQTFSEVEHGVLGLAWASNWQYADQVPTNPWRSSTSLARNYTLRYVIQMLKLTANIDKSVLPDSINVVDKLKKKNVKLTNKKPIKTNFKGSTGLFDFNITFKVLNLNVSPGKTHFDILINSQELNSSVDSIKIGFDSSQSLFYIDRHIPNVEFPRKQFFTDKLAAYLEPLDYDQDLRVFSLYGIVDKNIIELYFNDGTVAMTNTFFMGEGKYPHDIQIVTDTEEPLFELESVIIRELNK,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.3222192947339193,,s_2adbb88b271c809ce9a0702f,test
catpreddb_km_km_24f5a0a46feb75,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_2500d4b384aa65,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1023729087095586,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_251ec7eafe2cd1,catpred_iteration1_km,km,P07913,P07913,MKALSKLKAEEGIWMTDVPVPELGHNDLLIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVGIGQEVKGFKIGDRVSGEGHITCGHCRNCRGGRTHLCRNTIGVGVNRPGCFAEYLVIPAFNAFKIPDNISDDLAAIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVAKHVGARNVVITDVNEYRLELARKMGITRAVNVAKENLNDVMAELGMTEGFDVGLEMSGAPPAFRTMLDTMNHGGRIAMLGIPPSDMSIDWTKVIFKGLFIKGIYGREMFETWYKMAALIQSGLDLSPIITHRFSIDDFQKGFDAMRSGQSGKVILSWD,CCCCO,CCCCO,CCCCO>>,public_strict_iteration1_fulltrue_msa,,-2.0958256317158366,,s_4738684cd83688944be39dab,test
catpreddb_km_km_252f9cb8848cc2,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCCCC=CC=O,CCCCCCC=CC=O,CCCCCCC=CC=O>>,public_strict_iteration1_fulltrue_msa,,-0.3178558621927816,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_253aa0fc5fd49e,catpred_iteration1_km,km,Q8VCC1,Q8VCC1,MHVNGKVALVTGAAQGIGKAFAEALLLHGAKVALVDWNLEAGVKCKAALDEQFEPQKTLFVQCDVADQKQLRDTFRKVVDHFGRLDILVNNAGVNNEKNWEQTLQINLVSVISGTYLGLDYMSKQNGGEGGIIINMSSLAGLMPVAQQPVYCASKHGIIGFTRSAAMAANLMKSGVRLNVICPGFVDTPILESIEKEENMGQYIEYKDQIKAMMKFYGVLHPSTIANGLINLIEDDALNGAIMKITASKGIHFQDYDISPLLVKAPLTS,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_d7bd7bf9dae694733b0f418d,test
catpreddb_km_km_253e36efbb52dd,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(=O)CCc1ccccc1,CC(=O)CCc1ccccc1,CC(=O)CCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_255c02ecb375c8,catpred_iteration1_km,km,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7569619513137056,,s_731307d31ab453cb17afec38,test
catpreddb_km_km_255c2ae85858d7,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.8512583487190752,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_2562433cd4089c,catpred_iteration1_km,km,P22256,P22256,MNSNKELMQRRSQAIPRGVGQIHPIFADRAENCRVWDVEGREYLDFAGGIAVLNTGHLHPKVVAAVEAQLKKLSHTCFQVLAYEPYLELCEIMNQKVPGDFAKKTLLVTTGSEAVENAVKIARAATKRSGTIAFSGAYHGRTHYTLALTGKVNPYSAGMGLMPGHVYRALYPCPLHGISEDDAIASIHRIFKNDAAPEDIAAIVIEPVQGEGGFYASSPAFMQRLRALCDEHGIMLIADEVQSGAGRTGTLFAMEQMGVAPDLTTFAKSIAGGFPLAGVTGRAEVMDAVAPGGLGGTYAGNPIACVAALEVLKVFEQENLLQKANDLGQKLKDGLLAIAEKHPEIGDVRGLGAMIAIELFEDGDHNKPDAKLTAEIVARARDKGLILLSCGPYYNVLRILVPLTIEDAQIRQGLEIISQCFDEAKQ,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0293837776852096,,s_c32f0b4849ddded75e72f613,test
catpreddb_km_km_257f3174f2ad00,catpred_iteration1_km,km,Q8IE38,Q8IE38,MHKNICIYGGSFDPITYAHEMVLDKISNLNWIHEIWVVICRCRNDKSLTEFHHRHNMFTIIINNSSKIIKSKIFLKDLESHSEMTPTYDLLKTQKELHPNYTFYFGLGSDLICDIFSWDEGEKLVLENAFIIIERGHFKIDESILKKFPKYYLINIPKLSFINFISSSEARKFLTKENDINDIKKYIHPLTIDYIIKYNLYDFN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_979d2073702645bf77230a4c,test
catpreddb_km_km_258659ddc4adb1,catpred_iteration1_km,km,Q9CID5,Q9CID5,MTEKDWIIQYDKKEVGKRSYGQESLMSLGNGYLGLRGAPLWSTCSDNHYPGLYVAGVFNRTSTEVAGHDVINEDMVNWPNPQLIKVYIDGELVDFEASVEKQATIDFKNALQIERYQVKLAKGNLTLVTTKFVDPINFHDFGFVGEIIADFSCKLRIETFTDGSVLNQNVERYRAFDSKEFEVTKISKGLLVAKTRTSEIELAIASKSFLNGLAFPKIDSENDEILAEAIEIDLQKNQEVQFDKTIVIASSYESKNPVEFVLTELSATSVSKIQENNTNYWEKVWSDADIVIESDHEDLQRMVRMNIFHIRQAAQHGANQFLDASVGSRGLTGEGYRGHIFWDEIFVLPYYAANEPETARDLLLYRINRLTAAQENAKVDGEKGAMFPWQSGLIGDEQSQFVHLNTVNNEWEPDNSRRQRHVSLAIVYNLWIYSQLTEDESILTDGGLDLIIETTKFWLNKAELGDDGRYHIDGVMGPDEYHEAYPGQEGGICDNAYTNLMLTWQLNWLTELSEKGFEIPKELLEKAQKVRKKLYLDIDENGVIAQYAKYFELKEVDFAAYEAKYGDIHRIDRLMKAEGISPDEYQVAKQADTLMLIYNLGQEHVTKLVKQLAYELPENWLKVNRDYYLARTVHGSTTSRPVFAGIDVKLGDFDEALDFLITAIGSDYYDIQGGTTAEGVHIGVMGETLEVIQNEFAGLSLREGQFAIAPYLPKSWTKLKFNQIFRGTKVEILIENGQLLLTASADLLTKVYDDEVQLKAGVQTKFDLK,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_ab9ef1581700d6578984f55f,test
catpreddb_km_km_25875e18699e78,catpred_iteration1_km,km,Q9LLE2,Q9LLE2,MQASTFMVKGNLGFEVQNRRVAGLAGLKGLSSIRSNNLSFVNVNDNNYKSNPCKLSCGSLSMGAGFARLGLDHVMKSSPKYRSVKAQAASGGDLEDATPVKYQGKSSASVLPYVGVACLGAILFGYHLGVVNGALDYLSADLAIAGNTVLQGWVVSILLAGATVGSFTGGSLADKFGRTKTFQLDAIPLAIGAYLCATAQNVQIMMIGRLLCGIGIGISSALVPLYISEISPTEIRGALGSVNQLFICIGILAALVAGLPLAGNPLWWRTMFGIATVPSVLLALGMGFCPESPRWLFQQGKIVEAEKAVAALYGKERVPEVINDLRASVQGSSEPEAGWFDLFSSRYRKVVSVGAALFLFQQMAGINAVVYYSTSVFRSAGIASDVAASALVGASNVIGTAVASSLMDKQGRKSLLMTSFSGMAASMLLLSLSFTWKALAPYSGTLAVVGTVLYVLSFSLGAGPVPALLLPEIFASRIRAKAVALSLGMHWASNFVIGLYFLSVVTKFGISKVYLGFASVCVLAVLYIAGNVVETKGRSLEEIELALSPAV,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.285557309007774,,s_7c11e487be003be4b8371334,test
catpreddb_km_km_2592bdedf8877b,catpred_iteration1_km,km,P30632,P30632,MSDQLEASIKNILEQKTLKWIFVGGKGGVGKTTCSCSLAAQLSKVRERVLLISTDPAHNISDAFSQKFTKTPTLVEGFKNLFAMEIDSNPNGEGVEMGNIEEMLQNAAQNEGGSGGFSMGKDFLQSFAGGLPGIDEAMSFGEMIKLIDSLDFDVVVFDTAPTGHTLRLLQFPTLLEKVFTKILSLQGMFGPMMNQFGGMFGMGGGSMNEMIEKMTTTLESVKKMNAQFKDPNCTTFVCVCIAEFLSLYETERLIQELSKQGIDTHNIIVNQLLFPDTDANGTVSCRKCASRQAIQSKYLTDIDELYEDFHVVKLPLLEAEVRGGPAILQFSERMVDPEANKN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6314036786476314,,s_a23d95cba25846657300c56d,test
catpreddb_km_km_2594d0e5f5cf32,catpred_iteration1_km,km,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.1152046360510189,,s_205b4fb49279b335382e3627,test
catpreddb_km_km_25a16c2f4fcb72,catpred_iteration1_km,km,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.8450980400142567,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_25a8bd07fc4198,catpred_iteration1_km,km,P0A6J5,P0A6J5,MRVVILGSGVVGVASAWYLNQAGHEVTVIDREPGAALETSAANAGQISPGYAAPWAAPGVPLKAIKWMFQRHAPLAVRLDGTQFQLKWMWQMLRNCDTSHYMENKGRMVRLAEYSRDCLKALRAETNIQYEGRQGGTLQLFRTEQQYENATRDIAVLEDAGVPYQLLESSRLAEVEPALAEVAHKLTGGLQLPNDETGDCQLFTQNLARMAEQAGVKFRFNTPVDQLLCDGEQIYGVKCGDEVIKADAYVMAFGSYSTAMLKGIVDIPVYPLKGYSLTIPIAQEDGAPVSTILDETYKIAITRFDNRIRVGGMAEIVGFNTELLQPRRETLEMVVRDLYPRGGHVEQATFWTGLRPMTPDGTPVVGRTRFKNLWLNTGHGTLGWTMACGSGQLLSDLLSGRTPAIPYEDLSVARYSRGFTPSRPGHLHGAHS,CC(N)C(=O)O,CC(N)C(=O)O,CC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.4771212547196624,,s_7bca4ef82c470660ceccb270,test
catpreddb_km_km_25b5d8969d4538,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CCc1ccccc1,O=C(O)CN=C(O)CCc1ccccc1,O=C(O)CN=C(O)CCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.0268721464003013,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_25c8028f7abda1,catpred_iteration1_km,km,P9WHK9,P9WHK9,MAGPDRAELAELVRRLSVVHGRVTLSSGREADYYVDLRRATLHHRASALIGRLMRELTADWDYSVVGGLTLGADPVATAIMHAPGRPIDAFVVRKSAKAHGMQRLIEGSEVTGQRVLVVEDTSTTGNSALTAVHAVQDVGGEVVGVATVVDRATGAAEAIEAEGLRYRSVLGLADLGLD,O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,O=C(O)c1cc(O)nc(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.5850266520291822,,s_2afc4eaf023153df9b9f42b2,test
catpreddb_km_km_25eea2b3466da8,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.9469215565165804,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_25f19d5928975d,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.0241088635982076,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_2609185a991c06,catpred_iteration1_km,km,P05156,P05156,MKLLHVFLLFLCFHLRFCKVTYTSQEDLVEKKCLAKKYTHLSCDKVFCQPWQRCIEGTCVCKLPYQCPKNGTAVCATNRRSFPTYCQQKSLECLHPGTKFLNNGTCTAEGKFSVSLKHGNTDSEGIVEVKLVDQDKTMFICKSSWSMREANVACLDLGFQQGADTQRRFKLSDLSINSTECLHVHCRGLETSLAECTFTKRRTMGYQDFADVVCYTQKADSPMDDFFQCVNGKYISQMKACDGINDCGDQSDELCCKACQGKGFHCKSGVCIPSQYQCNGEVDCITGEDEVGCAGFASVTQEETEILTADMDAERRRIKSLLPKLSCGVKNRMHIRRKRIVGGKRAQLGDLPWQVAIKDASGITCGGIYIGGCWILTAAHCLRASKTHRYQIWTTVVDWIHPDLKRIVIEYVDRIIFHENYNAGTYQNDIALIEMKKDGNKKDCELPRSIPACVPWSPYLFQPNDTCIVSGWGREKDNERVFSLQWGEVKLISNCSKFYGNRFYEKEMECAGTYDGSIDACKGDSGGPLVCMDANNVTYVWGVVSWGENCGKPEFPGVYTKVANYFDWISYHVGRPFISQYNV,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCc3ccccc3)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCc3ccccc3)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCc3ccccc3)N=C(O)OC(C)(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.826813731587726,,s_6223f0030719fea346ff18df,test
catpreddb_km_km_261fd8a7e47f74,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.4569981471908091,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_2624e3026c635f,catpred_iteration1_km,km,C5J3R6,C5J3R6,MATPTIKLNSGYDMPLVGFGLWKVNRETCADQVYEAIKAGYRLFDGACDYGNEVEAGQGVARAIKEGIVKREDLFIVSKLWNTFHEADKVEPIARKQLADWGLDYFDLYLIHFPIALKYVDPAEIYPPGWTGTKKEVEFSNATIQETWQAMETLVDKKLTRSIGISNFSAQLIMDLLRYARIRPATLQIEHHPYLTQQALVEYVQKEGIAVTAYSSFGPLSFLELGHQVAKDTPLLFEHSTVKSIAEKHGKTPAQVLLRWATQRNIAVIPKSNNPGRLAQNLDVTAWDLEPADIEALSALNKNLRFNNPPSYGLYIPIFA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.6126101736612706,,s_62555097f732fd455d7734ac,test
catpreddb_km_km_26312c1ac4bb95,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,CC[C@@](O)(CC(=O)O)C(=O)O,CC[C@@](O)(CC(=O)O)C(=O)O,CC[C@@](O)(CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_263f6c29ac2c5a,catpred_iteration1_km,km,Q9GRG7,Q9GRG7,MQNCRKVADTLRKDSCDIIPDAAAPELKERALTIVVLGASGDLARNKTFPALFQLFCNGLIPRTINIVGYARTKMPDVEQWKKESLAKHFPRAKDRCPHIEAFLKTITYISGSYDGADDFFRLNDVITKFEESFPGKQKGGNRLFYLALPPSVFMHACTGIRTHVMQKPGLGWVRIIIEKPFGHDTESSNELSRQLEPLFEESQIFRIDHYLGKEMVQNIVVTRFANRVFSALWNNNNIACVRITFKESIGTEGRGGYFDKAGIIRDVVQNHLTQILSLLAMEKPRSLSPEDIRDEKVIVLRHVNPVTPADCVLGQYTRSEDGSIPGYLEDPTVPRGSKCATFVVLRLFINNDRWDGVPFIIEAGKAVERRYLGIRIQFKDEIRPFGVAAQRNELIIRAQPSEAMYLRLTAKTPGVLSDTHQTELDLSYEHRYNITLPDAYESLIHEALLGRSTNFVRKDELDAAWRIYTPLLEAIERGETTTYPYSAGSKGPAEAQKFVDDTGFKPLTGDIYQQRKLHHL,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0490965375891173,,s_8fdb1623c0a089b347a05ba5,test
catpreddb_km_km_264f07ee22ecea,catpred_iteration1_km,km,Q39735,Q39735,MMSSLSVEGMLLKSARESCLPARVNQRRNGDLRRLNHHRQSSFVRCLTPARVSRPELRSSGLTPPRAVLNPVSPPVTTAKKRVFTFGKGRSEGNRDMKSLLGGKGANLAEMSSIGLSVPPGLTISTEACEEYQQNGKSLPPGLWDEISEGLDYVQKEMSASLGDPSKPLPLSVRSGAAISMPGMMDTVLNLGLNDEVVAGLAGKSGARFAYDSYRRFLDMFGNVVMGIPHSLFDEKLEQMKAEKGIHLDTDLTAADLKDLVEKYKNVYVEAKGEKFPTDPKKQLELAVNAVFDSWDSPRANKYRSINQITGLKGTAVNIQSMVFGNMGNTSGTGVLFTRNPSTGEKKLYGEFLINAQGEDVVAGIRTPEDLGTMETCMPDAYKELVENCEILEGHYKDMMDIEFTVQENRLWMLQCRTGKRTGKGAVRIAVDMVNEWLIDTRTAIKRVETQHLDQLLHPQFEDPSAYKSHVVATGLPASPGAAVGQVCFSAEDAETWHAQGKSAILVRTETSPEDVGGMHAAAGILTARGGMTSHAAVVARGWGKCCVSGCADIRVNDDMKIFTIGDRVIKEGDWLSLNGTTGEVILGKQLLAPPAMSNDLEIFMSWADQARRLKVMANADTPNDALTARNNGAQGIGLCRTEHMFFASDERIKAVRKMIMAVTPEQRKVALDLLLPYQRSDFEGIFRAMDGLPVTIRLLDPPLHEFLPEGDLEHIVNELAVDTGMSADEIYSKIENLSEVNPMLGFRGCRLGISYPELTEMQVRAIFQAAVSMTNQGVTVIPEIMVPLVGTPQELRHQISVIRGVAANVFAEMGVTLEYKVGTMIEIPRAALIAEEIGKEADFFSFGTNDLTQMTFGYSRDDVGKFLQIYLAQGILQHDPFEVIDQKGVGQLIKMATEKGRAANPNLKVGICGEHGGEPSSVAFFDGVGLDYVSCSPFRVPIARLAAAQVIV,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.894119453146319,,s_8b7789b9714f3d22bb6addc3,test
catpreddb_km_km_26555ca4b2f093,catpred_iteration1_km,km,Q70J59,Q70J59,MFSSLLNRGALLAVVSLLSSSVAAEVFEKLSAVPQGWKYSHTPSDRDPIRLQIALKQHDVEGFETALLEMSDPYHPNYGKHFQTHEEMKRMLLPTQEAVESVRGWLESAGISDIEEDADWIKFRTTVGVANDLLDADFKWYVNEVGHVERLRTLAYSLPQSVASHVNMVQPTTRFGQIKPNRATMRGRPVQVDADILSAAVQAGDTSTCDQVITPQCLKDLYNIGDYKADPNGGSKVAFASFLEEYARYDDLAKFEEKLAPYAIGQNFSVIQYNGGLNDQNSASDSGEANLDLQYIVGVSSPIPVTEFSTGGRGLLIPDLSQPDPNDNSNEPYLEFLQNVLKMDQDKLPQVISTSYGEDEQTIPEKYARSVCNLYAQLGSRGVSVIFSSGDSGVGAACLTNDGTNRTHFPPQFPAACPWVTSVGGTTKTQPEEAVYFSSGGFSDLWERPSWQDSAVKRYLKKLGPRYKGLYNPKGRAFPDVAAQAENYAVFDKGVLHQFDGTSCSAPAFSAIVALLNDARLRAHKPVMGFLNPWLYSKASKGFNDIVKGGSKGCDGRNRFGGTPNGSPVVPYASWNATDGWDPATGLGTPDFGKLLSLAMRR,CC(N=C(O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(N=C(O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(N=C(O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.2041199826559248,,s_56f319fe4fc171015758cdf6,test
catpreddb_km_km_26556b70af581d,catpred_iteration1_km,km,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_65b17f02c00084bc7891919d,test
catpreddb_km_km_266a3d656395f3,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC1CCC(=O)O1,CCCCCCCC1CCC(=O)O1,CCCCCCCC1CCC(=O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.4089353929735008,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_267b3cf6b0417e,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_2688ed25cb1df0,catpred_iteration1_km,km,G4RPF4,G4RPF4,MREVKRKFGERFVDDPALLSLYSREASFEEPAAGPLGIVYPVNEEEVAWLVKWAYENDITLYSQGSATSLSGNTILTKPGLIVSFEKMANIVEVNPTDSYTVVQPGIRIEELNVELARYGVFFPVDPGSVRSATIGGAIANGAGGMRGAKYGSMRDWVLGVNVVTGRGDLLKLGCRTLKCRNGYDLVRLIVGSEGTLGLVTQAVLRVAPLPESAVAVRVYYNDISSLVEDVVRIKSARIWPLFAEFMGPAESEEVGLNRAYTLFVGVDVNRGAEGGILARLKSALTGHIADEAIGIEEAMRLLEPRRRLFSAQVSIMRRQLGDQGVLVIEDVVVPVSKLPEAVRRIAELAQKLEVPLSIGGHVGDGNLHPTTWFKRGDLEGAKRARRFIEGLGKIAVELGGSVSAEHGIGTLKRELLRLELEPAVLEYMRSLKAVFDPKGILNPGKII,C[C@@H](O)C(=O)O,C[C@@H](O)C(=O)O,C[C@@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_25e7b60f7f0e91f7dde5ed25,test
catpreddb_km_km_269a7a3fbda441,catpred_iteration1_km,km,P04035,P04035,MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVTQKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNSSLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9263319129816312,,s_53ca26e9a4eeb6dc55931307,test
catpreddb_km_km_26a7e8e0b91d2f,catpred_iteration1_km,km,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_948648651b98b58a650dd2ca,test
catpreddb_km_km_26aa3e5a964c59,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_26b1a322ec0144,catpred_iteration1_km,km,Q7SIG3,Q7SIG3,VVGGRVAQPNSWPWQISLQYKSGSSYYHTCGGSLIRQGWVMTAAHCVDSARTWRVVLGEHNLNTNEGKEQIMTVNSVFIHSGWNSDDVAGGYDIALLRLNTQASLNSAVQLAALPPSNQILPNNNPCYITGWGKTSTGGPLSDSLKQAWLPSVDHATCSSSGWWGSTVKTTMVCAGGGANSGCNGDSGGPLNCQVNGSYYVHGVTSFVSSSGCNASKKPTVFTRVSAYISWMNGIM,CC(C)C[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)C[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)C[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.1271047983648076,,s_20f7683f837eb8444a532bea,test
catpreddb_km_km_26b8595704a401,catpred_iteration1_km,km,A8AAX2,A8AAX2,MSENPLESLKVKRRELDKLDKEILRLLKRRFEIVKEITDTKKNLGLPVYDRDREEEVMVTRTVWGLELGIPQEFTKEMFKMILEESKKIQLYTPEKVYVGIYGYGGMGEQLVKVFSRAGHRVVVTGRNLEKAEGLAKRFKVEWGEPKEVAKEVEWLILAVPPKAVPGLVKELAPLMRSGALLSDISSVKKTLVEEVLKVLPEYIEYISLHPLFGPEVEPLGETVVVVPVKSYDYWVRLVQNIFVSMGFEVITSTPEEHDRAMAVTQVLHHFALVSLDEAAKKLSKEYGVDYMRYATRSFKKTLETIQRLKELSEVIDEIQEMNEYAAHAREEFLKVASQMDKRWRKGR,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-0.4249027953598746,,s_1fd33a5fb1335a22b4e2aa22,test
catpreddb_km_km_26bd4e5345be61,catpred_iteration1_km,km,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,N[C@H](CC(=O)O)C(=O)O,N[C@H](CC(=O)O)C(=O)O,N[C@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3247604529592768,,s_74cdd8566f34570e4d30f31c,test
catpreddb_km_km_26bef1a9cf42a3,catpred_iteration1_km,km,A0JC77,A0JC77,MAPNAPFARSLRLQRLHHHDPDRLFIVPLDHSITDGPLSRAHRLDPLVGELASHHVDGIVLHKGSLRHVDPEWFTRTSLIVHLSASTVHAPDPNAKYLVSSVEESLRMGADAVSVHVNLGSEGERHQIADMAAVAEACDRWNVPLLAMMYPRGPKIDDPRDPALVAHAVQVAVDLGADLVKTLYVGSVAAMAEITAASPVPVVVVGGPRDSDESRILAYVDDALRGGAAGVAMGRNVFQAPDPGAMADKLSDLIHNSGTRGAARAPAGAAAGAA,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_6ed69a3db6fe87e936fb4ce0,test
catpreddb_km_km_26ddc393fd120e,catpred_iteration1_km,km,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.624360448008329,,s_e8cf4514befa1a1899f825d0,test
catpreddb_km_km_26e1dadc5a0bea,catpred_iteration1_km,km,O86728,O86728,MHSGHRPGRRTARRWWTAALAALALPLTMLGTGSTPAQAAALQCSVDYKTNDWGAGFTAELTLTNHGTDAIDGWTLTYSYAGNQKLTNGWNGTWSQSGPDVTVKNASYNARIAAGAAVSTGGQFTYSGSNAAPANFAVNGTSCVGAHQPPITVLTSPEAGAVYSRGEAVPLAATAAAADGATISKVEFYDDATLLGTDTSSPYTYSASGLTVGSHSLVAKAYDSMGASADSTPVGVTVAAGPTVVASPGQLGVQQGESGTYEVKLSEQPTANVTVTTSRASGNTGLTLTGGASLTFTPSNWDTAQRVTVSADASGSGSAVFESTAPGHGKAAVTVTQLAAAKDYDARFLELYGKITDPANGYFSPEGIPYHSVETLIVEAPDHGHETTSEAYSYLLWLQAMYGKVTGDWSKFNNAWEIMETYMIPTHADQPTNSSYNASKPATYAPELDTPNEYPAPLDGTVSVGSDPIAGELKSAYGTDDVYGMHWLQDVDNTYGYGNSPGKCEAGPSDTGPSYINTFQRGAQESVWETVPQPTCDAFKYGGKNGYLDLFTGDASYAKQWKFTNAPDADARAVQAAYWADIWAGEQGKSDEISATLDKAAKMGDYLRYAMFDKYFKKVGNCVGPSACPAGTGKDSSHYLLSWYYAWGGAVDTSAGWAWRIGSSHTHGGYQNPLAAYALSTDADLKPKSATGQSDWAKSLDRQVEFYRWLQSDEGAIAGGATNSWAGRYATPPAGTPTFYGMYYDEKPVYHDPPSNQWFGFQAWSMERVAEYYQQSGDAGAKAVLDKWVDWALSETTVNPDGTFRIPSTLQWSGQPDTWNASSPGANGDLHVEVADYTNDVGVAAAYAKTLTYYADRSGDTEAASTAKALLDGMWENNQDALGIAVPETRADYNRFDDGIYVPSGWSGTMPNGDTVDASSTFASIRSFYQDDPAWSKIESYLRGGAAPTFTYHRFWAQADIALAMGSYAELLE,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_b3c403f8f6adeb5308678f12,test
catpreddb_km_km_26fdd5ba5154e7,catpred_iteration1_km,km,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[K+].[K+].[K+].[K+],[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[K+].[K+].[K+].[K+],[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[K+].[K+].[K+].[K+]>>,public_strict_iteration1_fulltrue_msa,,-1.7166987712964503,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_km_km_271d12a4e53d8a,catpred_iteration1_km,km,P47820,P47820,MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYNSSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTDQKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESPSFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNYDWWYFSNKIAKLNGYSDAGDSWRSSYESDDLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFIIQFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSASAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS,CC(C)C[C@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)CN=C(O)c1ccccc1)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)CN=C(O)c1ccccc1)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)CN=C(O)c1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1672268755754654,,s_3b2b69fed0c36508bc49125a,test
catpreddb_km_km_2724199c08b26a,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_2749b0d75cf041,catpred_iteration1_km,km,C4LWC7,C4LWC7,MVFVIGITGRICSGKSTLSKTLIKRKIPVIDCDKLGHELYQKGSIVYNDFIKLFGKEVVGVDGSIDRKKLSELVFSNPQNVKIISDLTWPAIYTLLQERIKVLEKEGHPIVGVEAALLIRANWSIVNVIWETRIDEAETIKRLKTRNGLSEEQAKKRIQSQPTQEEYDNKSQVQINTMGTIEETATLINKEVDKLLEQLKITLN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS>>,public_strict_iteration1_fulltrue_msa,,-1.2373214362725635,,s_1c265de126553ecec4f9f7ff,test
catpreddb_km_km_27550b59c5ba0d,catpred_iteration1_km,km,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_874a36db5b07813dd2a06872,test
catpreddb_km_km_27598e10bee25a,catpred_iteration1_km,km,Q8QTF3,Q8QTF3,MEGEHQYLNLVREILERGVKKDDRTGTGTLSIFGPQMRFSLRDDTIPVLTTKKIFWRGVVEELSWFIRGNTDAKELAKKKIHIWNANGSREFLDSRGLYDRAEGDLGPVYGFQWRHFGAEYDTCSSDYTGKGIDQLANILKTLRENPDDRRMIMTAWNPMDLHLMALPPCHMTAQFYVANGELSCQLYQRSGDVGLGVPFNIASYSLLTHLMASMVGLKPGEFILTLGDAHIYNTHIEVLKKQLCRVPRPFPKLRILMAPEKIEDFTIDMFYLEGYQPHSGNLQMKMAV,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_fea9e3ffbf8f28b67b0bf7c4,test
catpreddb_km_km_275d28c0b3b680,catpred_iteration1_km,km,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O,N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O,N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_276017bbc6d753,catpred_iteration1_km,km,O67572,O67572,MLRSSLLPFSYLYEKIINFRNTLYDKGFLKIKKLPVPVISVGNLSVGGSGKTSFVMYLADLLKDKRVCILSRGYKRKSKGTLIVSEYGNLKVSWEEAGDEPYLMAKLLPHVSVVASEDRYKGGLLALEKLSPEVFILDDGFQHRKLHRDLNILLLKKKDLKDRLLPAGNLREPLKEIRRADALVLTYQEVEPFEFFTGKPTFKMFREFCCLLNSDFEEVPFDILKEREVIAFSGLGDNGQFRKVLKNLGIKVKEFMSFPDHYDYSDFTPEEGEIYLTTPKDLIKLQGYENVFALNFKVKLEREEKLKKLIYRIFY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_c633b64e7d0f1a6262f0da83,test
catpreddb_km_km_276b92ab67adac,catpred_iteration1_km,km,A0A0F8C7P8,A0A0F8C7P8,MAEAHQAVAFQFTVTPDGIDLQLCHEALRQIYLSGLHSWKKRFIRFKNGVMTGVYPGSPAGFMVVVVSYMSYNKYQMLDPSLGLIAKLGQHIPISRYMSTDSQKIVGGVLVGTGLWVTIIMIMRNVLKALLSWHGWMRARHGSVSWSTRVWMLLVKVFSGRKPMLYSFQNSLPRLPVPTVKDTCKRYLESVRPLMDDEQYERMTGLTKDFEKNLGPRLQWYLKLKSWWTSNYVSDWWEEYIYLRGRGPIMVNSNYYAMDFLYVFPTSIQAARAGNAIHAIMLYRRKLDRAQIKPLMLLHTIPMCSAQYERMFNTSRVPGVDTDTLQHMNETKHIAVYHKGRFYKVWMFYDGRLLLPREIEQQMERILADKSEPMPGEERLAALTAGERTPWARARETYFSRGKNKQSLDAIEKAAFFVTLDDTEQRYDNANPVKSLDSYAKSLLHGKCYDRWFDKSFNLIVFKNGTMGLNAEHSWADAPIIGHLWEHVLSMDPVKLGYTEEGHCCGQPHPNLPGPQRLQWDIPTECQDVIESSLTLARNLADDVDSHIFPFNDFGKGLIKKCRTSPDAFIQIALQLAHYRDKGKFCLTYEASMTRLFREGRTETVRSCTMEGCAFVRSMIRDETTEERLKLLKAAAEKHQNMYRLAMTGDGIDRHLFCLYVVSKYLGEDSAFLKEVLSEPWRLSTSQTPLQQIELFDLVKHPEYVSSGGGFGPVADDGYGVSYIIVGENLINFHISSKHSSPETDSHRFGTNIRQAMLDILALFQLDKKAK,C[N+](C)(C)C[C@H](O)CC(=O)O,C[N+](C)(C)C[C@H](O)CC(=O)O,C[N+](C)(C)C[C@H](O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1398790864012364,,s_a349d2b38c8983eded0112d7,test
catpreddb_km_km_2781258090d221,catpred_iteration1_km,km,Q8TZP8,Q8TZP8,MYKLVSFRDSEIFGRVAEVEFSLIREGSYAYLLGDFNAFNEGSFRMEQEGKNWKIKIALPEGVWHYAFSIDGKFVLDPDNPERRVYTRKGYKFHREVNVARIVKSDDLVFHTPSLLYLYEIFGRVHVLLRTQKGVIKGATFLGEKHVPMRKKASDELFDYFEVIVEGGDKRLNYSFEVLTMEGAKFEYGQFKARPFSIEFPTWVIDRVFYQIMPDKFARSRKIQGIAYPKDKYWGGDLIGIKEKIDHLVNLGINAIYLTPIFSSLTYHGYDIVDYFHVARRLGGDRAFVDLLSELKRFDIKVILDGVFHHTSFFHPYFQDVVRKGENSSFKNFYRIIKFPVVSKEFLQILHSKSSWEEKYKKIKSLGWNYESFFSVWIMPRLNHDNPKVREFIKNVILFWTNKGVDGFRMDVAHGVPPEVWKEVREALPKEKYLIGEVMDDARLWLFDKFHGVMNYRLYDAILRFFGYEEITAEEFLNELELLSSYYGPAEYLMYNFLDNHDVERFLDIVGDKRKYVCALVFLMTYKGIPSLFYGDEIGLRGINLQGMESSRAPMLWNEEEWDQRILEITKTLVKIRKNNKALLFGNFVPVKFKRKFMVYKREHMGERTIVAINYSNSRVKELGITIPEYSGVIINEDKVKLIKY,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO>>,public_strict_iteration1_fulltrue_msa,,0.9434945159061026,,s_6d000328ec0ae6533b01c053,test
catpreddb_km_km_27857ec50518c9,catpred_iteration1_km,km,Q95JH5,Q95JH5,MDPKYQRVALNDGHFMPVLGFGTYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_278ae9d2c2e6c5,catpred_iteration1_km,km,O54783,O54783,MAADGTGVVGGGAVGGPLSKDGLLDAKCPEPIPNRRRSSSLSRDAQRRAYQWCREYLGGAWRRARPEELSVCPVSGGLSNLLFRCSLPNHVPSMGGEPREVLLRLYGAILQGVDSLVLESVMFAILAERSLGPQLYGVFPEGRLEQYLPSRPLKTQELRDPVLSGAIATKMARFHGMEMPFTKEPRWLFGTMERYLKQIQDLPSTSLPQMNLVEMYSLKDEMNHLRTLLDATPSPVVFCHNDIQEGNILLLSEPDSDDNLMLVDFEYSSYNYRGFDIGNHFCEWVYDYTYEEWPFYKARPADYPTREQQLLFIRHYLAEVQKGEVLSEEEQKKQEEDLLIEISRYALASHFFWGLWSTLQASMSTIEFGYLEYAQSRFQFYFQQKGQLTSFLSP,NCCO,NCCO,NCCO>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_5d38fb5cac888b87715a098d,test
catpreddb_km_km_278d30c6e8f8b4,catpred_iteration1_km,km,P16006,P16006,MKASTVLQIAYLVSQESKCCSWKVGAVIEKNGRIISTGYNGSPAGGVNCCDYAAEQGWLLNKPKHAIIQGHKPECVSFGSTDRFVLAKEHRSAHSEWSSKNEIHAELNAILFAARNGSSIEGATMYVTLSPCPDCAKAIAQSGIKKLVYCETYDKNKPGWDDILRNAGIEVFNVPKKNLNKLNWENINEFCGE,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_9d327aec1e1ae803d6db6e60,test
catpreddb_km_km_279cf7d7f17ac5,catpred_iteration1_km,km,P58795,P58795,MTKVLVLYYSSYGHIETMAYAVAEGVESTGAEAVVKRVPELVPEEVAKSSHFKMDQPAPVATVDELAEYDAIIVGAGTRFGTVASQMRNFWDQTGGLWFSGKLVGKVGSAFTSSATQHGGQESTILGFIPTFLHHGMAVVGLPYAFQGQMGVDEIKGGSPYGASTITDGDGSRQPSAIELDAARYQGAHVAKLAAKLSA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7212463990471711,,s_4c96caaf4c01798e4214903b,test
catpreddb_km_km_27a4445791717a,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-3.1034737825104446,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_27b719176a36e6,catpred_iteration1_km,km,Q8TLW1,Q8TLW1,MSRMTSLLSQFVSKTDFESYEDFQENFKILVPENFNFAYDVVDVYARDSPEKLAMIWCDDYGNEKIFTFKDLKYYSDKAANFFVKHGIGKGDYVMLTLKSRYDFWYCMLGLHKLGAIAVPATHMLKTRDIVYRIEKAGLKMIVCIAEDDVPEQVDEAHAECGDIPLKKAKVGGDVLEGWIDFRKELEESSPIFERPTGEVSTKNEDICLVYFSSGTAGFPKMVEHDNTYPLGHILTAKYWQNVEDDGLHYTVADSGWGKCVWGKLYGQWIAGCAVFVYDYDRFEAKNMLEKASKYGVTTFCAPPTIYRFLIKEDLSHYNFSTLKYAVVAGEPLNPEVFNRFLEFTGIKLMEGFGQTETVVTIATFPWMEPKPGSIGKPTPGYKIELMDRDGRLCEVGEEGEIVINTMEGKPVGLFVHYGKDPERTEETWHDGYYHTGDMAWMDEDGYLWFVGRADDIIKTSGYKVGPFEVESALIQHPAVLECAITGVPDPVRGQVIKATIVLTKDYTPSDSLKNELQDHVKNVTAPYKYPRIIEFVPELPKTISGKIRRVEIRDKDQSQ,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS>>,public_strict_iteration1_fulltrue_msa,,0.6117233080073418,,s_5df5588f23339e6a8fa46c15,test
catpreddb_km_km_27bb946feade1b,catpred_iteration1_km,km,Q2KJG8,Q2KJG8,MILASVLGSGPRGGPPLRPLLGPALSLRARSTSATDTHHVEMARERSKTVTSFYNQSAIDVAAEKPSVRLTPTMMLYSGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRSLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEARYCQLVRQLLDDHKDVVTLLAEGLRESRKYIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDIDLVIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDLHSGGQSGPMHGFGFGLPTSRAYAEYLGGSLRLQSLQGIGTDVYLRLRHIDGREESFRI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.8928430512878005,,s_cae000bd3092fb854e08a3a2,test
catpreddb_km_km_27c0b57063546b,catpred_iteration1_km,km,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CSCc1ccccc1)C(=O)O,N[C@@H](CSCc1ccccc1)C(=O)O,N[C@@H](CSCc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_27d0589ae36fc8,catpred_iteration1_km,km,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.259637310505756,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_km_km_27e55fc8ec15db,catpred_iteration1_km,km,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,COC1OC(CO)C(O)C(O)C1O,COC1OC(CO)C(O)C(O)C1O,COC1OC(CO)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.4548448600085101,,s_05faba509306d0ae6d9f3eea,test
catpreddb_km_km_280525911d0d96,catpred_iteration1_km,km,Q8VCN5,Q8VCN5,MQKDASLSGFLPSFQHFATQAIHVGQEPEQWNSRAVVLPISLATTFKQDFPGQSSGFEYSRSGNPTRNCLEKAVAALDGAKHSLAFASGLAATITITHLLKAGDEIICMDEVYGGTNRYFRRVASEFGLKISFVDCSKTKLLEAAITPQTKLVWIETPTNPTLKLADIGACAQIVHKRGDIILVVDNTFMSAYFQRPLALGADICMCSATKYMNGHSDVVMGLVSVNSDDLNSRLRFLQNSLGAVPSPFDCYLCCRGLKTLQVRMEKHFKNGMAVARFLETNPRVEKVVYPGLPSHPQHELAKRQCSGCPGMVSFYIKGALQHAKAFLKNLKLFTLAESLGGYESLAELPAIMTHASVPEKDRATLGINDTLIRLSVGLEDEQDLLEDLDRALKAAHP,NC(CCSCC(N)C(=O)O)C(=O)O,NC(CCSCC(N)C(=O)O)C(=O)O,NC(CCSCC(N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_1888180eaa5024d831ca8849,test
catpreddb_km_km_281dd9e8ede63e,catpred_iteration1_km,km,O04862,O04862,MSILKCLGVRGNQLCAARNYLKVLGFSSFHTAPNSSIEIQTQDEEVVIALGSNVGDRLHNFKEALKLMRKSGIHITRHASLYETAPAYVTDQPRFLNSAVRADTKLGPHELLAALKRIEKDMGRTDGIRYGPRPIDLDILFYGKFKVRSDILTVPHERIWERPFVMAPLMDLLGTAIDSDTVASWHSFSGHSGGLNALWEKLGGESLIGEEGMYRVMPVANGLLDWSRRTLVMGILNLTPDSFSDGGNFQSVKSAVSQARLMISEGADIIDIGAQSTRPMASRISAEEELGRLIPVLEAVMSIPEVEGKLISVDTFYSEVALEAVRKGAHIINDVSAGKLDASMFKVMAELDVPYVAMHMRGDPSTMQDSENLKYDNVCKDISSELYSRVREAEISGIPAWRIIMDPGIGFSKKTEDNLAALTGIPDIREEISKRSLAISHAPILIGPSRKRFLGEICSRPSAVDRDPATIASVTAGVLCGANIVRVHNVKDNLDAVKLCDAILKQKSSPIKFKQ,Nc1nc(O)c2c(n1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Nc1nc(O)c2c(n1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,Nc1nc(O)c2c(n1)NCC(COP(=O)(O)OP(=O)(O)O)=N2>>,public_strict_iteration1_fulltrue_msa,,-2.048455006504028,,s_21cb6f464fcfeed0526f89c7,test
catpreddb_km_km_2823545c14db91,catpred_iteration1_km,km,Q2VAZ3,Q2VAZ3,MASAGDVTRAALPRAQPRAEGPACVLGIGTAVPPAEFLQSEYPDFFFNITNCGEKEALKAKFKRICDKSGIRKRHMFLTEEVLKANPGICTYMEPSLNVRHDIVVVQVPKLAAEAAQKAIKEWGGRKSDITHIVFATTSGVNMPGADHALAKLLGLKPTVKRVMMYQTGCFGGASVLRVAKDLAENNKGARVLAVASEVTAVTYRAPSENHLDGLVGSALFGDGAGVYVVGSDPKPEVEKPLFEVHWAGETILPESDGAIDGHLTEAGLIFHLMKDVPGLISKNIEKFLNEARKPVGSPAWNEMFWAVHPGGPAILDQVEAKLKLTKDKMQGSRDILSEFGNMSSASVLFVLDQIRHRSVKMGASTLGEGSEFGFFIGFGPGLTLEVLVLRAAPNSA,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.5440680443502757,,s_13d0398ece7b9ff66f8a266c,test
catpreddb_km_km_2825a083baf97c,catpred_iteration1_km,km,Q3YJM9,Q3YJM9,MPSQRARLTNEFLRLTTKSMWKPDLDLGSIRAHMARMDARLGRRALPVAREEIRIAGVPASWIGEKALEAAGTILYIHGGAWCLHAPAAYARLATSLSAATGMRVLLIDYRLAPEHRFPAGSDDCLGVYRWLIEQGYHERPLVVAGDSAGGNLTLVTLQRARDAGLPMPCCAVPISPSTDMTMSGPSGQYNAEADSMFSLAAADIFPGLYCPGEDLTNPMISPLFGNWWGLPPLLFHAGSTELLLDDSVRAQDRARQAGVEAYIQVWLNLPHVFHVFHWLPESQQGIAAIAHFIAAMSKTSPRTVPYRIPGLPQVERATAEGLTA,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.5762136704289439,,s_a95c8f0f2b08eedc9393e459,test
catpreddb_km_km_282a567bc39de5,catpred_iteration1_km,km,Q8VHF5,Q8VHF5,MALLTAAARLLGAKNSSCLVLAARHASASSTNLKDILSNLIPKEQARVKTFRQQHGKTVVGQITVDMMYGGMRGMKGLVYETSVLDPDEGIRFRGYSIPECQKLLPKAKGGEEPLPEGLFWLLVTGQMPTEEQVSWLSQEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAITALNSESNFARAYAEGINRTKYWELIYEDCMDLIAKLPCVAAKIYRNLYREGSSIGAIDSKLDWSHNFTNMLCYTEPQFTELMRLYLTIHSDHDGGNVSAHTSHLVGSALSDTYLSFAAAMNGLAGPLHGLANQEVLVWLTQLQKEVGKDVSDEKLRDYIWNTLNSGRVVPGYGHAVLRKTDPRYSCQREFALKHLPKDPMFKLVAQLYKIVPNILLEQGKAKNPWPNVDAHSGVLLQYYGMTEMNYYTVLFGVSRALGVLAQLIWSRALGFPLERPKSMSTDGLMKFVDSKSG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6179813001456833,,s_d0c6cf86befa4642af938787,test
catpreddb_km_km_282be20bbbefa9,catpred_iteration1_km,km,O60658,O60658,MGCAPSIHISERLVAEDAPSPAAPPLSSGGPRLPQGQKTAALPRTRGAGLLESELRDGSGKKVAVADVQFGPMRFHQDQLQVLLVFTKEDNQCNGFCRACEKAGFKCTVTKEAQAVLACFLDKHHDIIIIDHRNPRQLDAEALCRSIRSSKLSENTVIVGVVRRVDREELSVMPFISAGFTRRYVENPNIMACYNELLQLEFGEVRSQLKLRACNSVFTALENSEDAIEITSEDRFIQYANPAFETTMGYQSGELIGKELGEVPINEKKADLLDTINSCIRIGKEWQGIYYAKKKNGDNIQQNVKIIPVIGQGGKIRHYVSIIRVCNGNNKAEKISECVQSDTHTDNQTGKHKDRRKGSLDVKAVASRATEVSSQRRHSSMARIHSMTIEAPITKVINIINAAQESSPMPVTEALDRVLEILRTTELYSPQFGAKDDDPHANDLVGGLMSDGLRRLSGNEYVLSTKNTQMVSSNIITPISLDDVPPRIARAMENEEYWDFDIFELEAATHNRPLIYLGLKMFARFGICEFLHCSESTLRSWLQIIEANYHSSNPYHNSTHSADVLHATAYFLSKERIKETLDPIDEVAALIAATIHDVDHPGRTNSFLCNAGSELAILYNDTAVLESHHAALAFQLTTGDDKCNIFKNMERNDYRTLRQGIIDMVLATEMTKHFEHVNKFVNSINKPLATLEENGETDKNQEVINTMLRTPENRTLIKRMLIKCADVSNPCRPLQYCIEWAARISEEYFSQTDEEKQQGLPVVMPVFDRNTCSIPKSQISFIDYFITDMFDAWDAFVDLPDLMQHLDNNFKYWKGLDEMKLRNLRPPPE,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-4.259637310505756,,s_4656222f4a78f7533f16bc5a,test
catpreddb_km_km_2842c90380d96a,catpred_iteration1_km,km,Q28056,Q28056,MAPRKNAKGGGGNSSSSSSGSPTGCTSGGSSSPGARRETKQGGLKNGRKGGLSGSSFFTWFMVIALLGVWTSVAVVWFDLVDYEEVLAKAKDFRYNLSEVLQGKLGIYDADGDGDFDVDDAKVLLGLKEKPAPKPTVPPEEADMYPWLEDQVLESPGRQNIEDEVYEQVQSLDETVYSEPGENLPQEPEGPAEELQPDDHVFVGSDADDRYEPMGTGAVHEETEDSYHIEETASPAYSQDMEDMMYEQENPDSSEPVVVDDAERTYQETDDVTYRDYDEQDHAVDNSNTILEEPHMPPAEEQQEVPPETNKKADEPGKKGKVKKKKPKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFEELVRKYPQSPGARYGKAQCEDDLAEKRRSNEILRRAIETYQEAASLPDAPTDLVKLSLKRRSDRQQFLGHMRGSLLTLQKLVQLFPDDTALKNDLGVGYLLIGDNDSAKKVYEEVLSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYFHLGDAMQRVGNKEAYRWYELGHQRGHFASVWQRSLYNVQGLKAQPWWTPKETGYTELVKSLERNWKLIRDEGLAAMDRTHGLFLPEDENLREKGDWSQFTLWQQGRKNENACKGAPKTCSLLDKFPETTGCRRGQIKYSIMHPGTHVWPHTGPTNCRLRMHLGLVIPKEGCKIRCANETRTWEEGKVLIFDDSFEHEVWQDAASFRLIFIVDVWHPELTPHQRRSLPAI,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6569469620864847,,s_cf524b31fa8bc38038fed61b,test
catpreddb_km_km_2844a16b415198,catpred_iteration1_km,km,A0A090IMH4,A0A090IMH4,MTEQYITIDGRKIGPNFSPYIIAELSANHNGDINRAFAIMEAAKKAGADAIKLQTYTQDTITMDCDSDEFQIKGGLWHGQSLYQLYTSAHMPWEWHQPLFAKAKELDITIFSSPFDFTAVDLLEELDAPAYKIASFEIVDLPLIKRVAQTGKPMIISTGMADQSEIEIAIQTAKDNGCDELVVLHCVSGYPAPAAQYNLRTIADIGQRFDVLAGLSDHTIDNATAVVSVAFGACVIEKHVTLDRNAGGADDSFSLEPDELARLCRDTYTAWQAMGNVNYERTPAEQGNVKFRRSLYAVKDIAAGELLTADNVRSIRPGFGLEPKYYDQVLGKKANVIISKGTALSFGLIS,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_8f28e5943280c5a5988fa0ca,test
catpreddb_km_km_284a4a3d28acad,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_285716a804b26b,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,OC1C=CCCC1,OC1C=CCCC1,OC1C=CCCC1>>,public_strict_iteration1_fulltrue_msa,,-1.1804560644581312,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_285e71d06b1d57,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2nnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2nnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2nnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1432711096171174,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_2862cfd485bd2e,catpred_iteration1_km,km,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.282329496997738,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_km_km_286cf0267a2eab,catpred_iteration1_km,km,D4GYE6,D4GYE6,MILTVTPNPAVDHTIHFDEPLQTGVVHRTDDAVFTAGGKGINVAKYASALDADVTASGFLGGHFGKFVRDRLDADGIASDFVTVDADTRLNTTVLAADGEYKLNHNGPQIRAADVDELVETAQANEPDTLLVGGSLPPGMSLSDVDRLARAGDWKIAVDMGGEYLAELDADYYVCKPNRSELAAATGRTVETEADAVEAAEELHARGFEYVLASLGADGALLVTDDEVLSAPALDVEVVDTVGAGDAVMSGFLAAREHGLSDADALRMGVLTASRVVGVAGTRVPDLEDVLTNETHVEVTTVRTR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_3eb6cfd7abcb75cd7d47d0b4,test
catpreddb_km_km_287b3c95951ab0,catpred_iteration1_km,km,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,O=C(O)c1cc2cc(O)ccc2cc1O,O=C(O)c1cc2cc(O)ccc2cc1O,O=C(O)c1cc2cc(O)ccc2cc1O>>,public_strict_iteration1_fulltrue_msa,,-1.1804560644581312,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_km_km_28852167ad6308,catpred_iteration1_km,km,O52250,O52250,MQTQILERMESDVRTYSRSFPVVFTKARNARLTDEEGREYIDFLAGAGTLNYGHNNPHLKQALLDYIDSDGIVHGLDFWTAAKRDYLETLEEVILKPRGLDYKVHLPGPTGTNAVEAAIRLARVAKGRHNIVSFTNGFHGVTMGALATTGNRKFREATGGVPTQAASFMPFDGYLGSSTDTLDYFEKLLGDKSGGLDVPAAVIVETVQGEGGINVAGLEWLKRLESICRANDILLIIDDIQAGCGRTGKFFSFEHAGITPDIVTNSKSLSGYGLPFAHVLMRPELDKWKPGQYNGTFRGFNLAFATAAAAMRKYWSDDTFERDVQRKARIVEERFGKIAAWLSENGIEASERGRGLMRGIDVGSGDIADKITHQAFENGLIIETSGQDGEVVKCLCPLTIPDEDLVEGLDILETSTKQAFS,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0293837776852096,,s_180c32fe71f69cef4312d55e,test
catpreddb_km_km_28951eb9f50835,catpred_iteration1_km,km,O88867,O88867,MASSDTEGKRVVVIGGGLVGALNACFLAKRNFQVDVYEAREDIRVANFMRGRSINLALSYRGRQALKAVGLEDQIVSKGVPMKARMIHSLSGKKSAIPYGNKSQYILSISREKLNKDLLTAVESYPNAKVHFGHKLSKCCPEEGILTMLGPNKVPRDITCDLIVGCDGAYSTVRAHLMKKPRFDYSQQYIPHGYMELTIPPKNGEYAMEPNCLHIWPRNAFMMIALPNMDKSFTCTLFMSFEEFEKLPTHSDVLDFFQKNFPDAIPLMGEQALMRDFFLLPAQPMISVKCSPFHLKSRCVLMGDAAHAIVPFFGQGMNAGFEDCLVFDELMDKFNNDLSVCLPEFSRFRIPDDHAISDLSMYNYIEMRAHVNSRWFLFQRLLDKFLHALMPSTFIPLYTMVAFTRIRYHEAVLRWHWQKKVINRGLFVLGSLVAIGSAYILVHHLSPRPLELLRSAWTGTSGHWNRSADISPRVPWSH,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.5007254181077827,,s_a6614d1afb4f81c2a9d1ff53,test
catpreddb_km_km_289ff2c28bc402,catpred_iteration1_km,km,Q03047,Q03047,MTDATVPTFDLAELREGLHQEEFRHCLREKGVFYLKGTGLPAEADHASGREIAVDFFDHGTEAEKKAVMTPIPTIRRGYAGLESESTAQITNTGKYTDYSMSYSMGTADNLFPSAEFEKAWEDYFARMYRASQDVARQVLTSVGAEPEVGMDAFLDCEPLLRLRYFPEVPEDRVAEEQPLRMAPHYDLSIVTLIHQTPCANGFVSLQVEVDGSYVDIPAQPGAVLVFCGAVATLVADGAIKAPKHHVAAPGADKRVGSSRTSSVFFLRPNGDFRFSVPRARECGFDVSIPAETATFDDWIGGNYINIRKTAAAR,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_31ad762f09b2a1d969dcfb02,test
catpreddb_km_km_28aa6c709b3fc9,catpred_iteration1_km,km,Q92185,Q92185,MSPCGRARRQTSRGAMAVLAWKFPRTRLPMGASALCVVVLCWLYIFPVYRLPNEKEIVQGVLQQGTAWRRNQTAARAFRKQMEDCCDPAHLFAMTKMNSPMGKSMWYDGEFLYSFTIDNSTYSLFPQATPFQLPLKKCAVVGNGGILKKSGCGRQIDEANFVMRCNLPPLSSEYTKDVGSKSQLVTANPSIIRQRFQNLLWSRKTFVDNMKIYNHSYIYMPAFSMKTGTEPSLRVYYTLSDVGANQTVLFANPNFLRSIGKFWKSRGIHAKRLSTGLFLVSAALGLCEEVAIYGFWPFSVNMHEQPISHHYYDNVLPFSGFHAMPEEFLQLWYLHKIGALRMQLDPCEDTSLQPTS,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)N=C(O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)N=C(O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](N=C(C)O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)N=C(O)CCCCCCCCCCCCCCCCC>>,public_strict_iteration1_fulltrue_msa,,-1.080921907623926,,s_84b0e63fc9b800d99401f8c7,test
catpreddb_km_km_28b6caa0a3a7b3,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7075701760979364,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_28c9ebcbbe8945,catpred_iteration1_km,km,Q13572,Q13572,MQTFLKGKRVGYWLSEKKIKKLNFQAFAELCRKRGMEVVQLNLSRPIEEQGPLDVIIHKLTDVILEADQNDSQSLELVHRFQEYIDAHPETIVLDPLPAIRTLLDRSKSYELIRKIEAYMEDDRICSPPFMELTSLCGDDTMRLLEKNGLTFPFICKTRVAHGTNSHEMAIVFNQEGLNAIQPPCVVQNFINHNAVLYKVFVVGESYTVVQRPSLKNFSAGTSDRESIFFNSHNVSKPESSSVLTELDKIEGVFERPSDEVIRELSRALRQALGVSLFGIDIIINNQTGQHAVIDINAFPGYEGVSEFFTDLLNHIATVLQGQSTAMAATGDVALLRHSKLLAEPAGGLVGERTCSASPGCCGSMMGQDAPWKAEADAGGTAKLPHQRLGCNAGVSPSFQQHCVASLATKASSQ,O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-4.0,,s_d09cb30f5f82458f11cec8b0,test
catpreddb_km_km_28e30f84f1ab1e,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_28ed74d9db966e,catpred_iteration1_km,km,Q20065,Q20065,MRAVLLVCLLAGLAHADLFTAIADLQHMLGAEKDVTTIIDQYIEAERARLDDLRRYAHEYVHRNAHAESVGPEFVTNPINAYLLIKRLTTEWKKVENIMLNNKASTFLKNITDNRVRSEVKFPGEEDLSGAATALLRLQDTYSLDTLDLSNGIIGGEKVSNKLSGHDTFEVGRSAYNQKDYYHCLMWMQVALVKIENENPPTIEEWEILEYLAYSLYQQGNVRRALSLTKRLAKIAPNHPRAKGNVKWYEDMLQGKDMVGDLPPIVNKRVEYDGIVERDAYEALCRGEIPPVEPKWKNKLRCYLKRDKPFLKLAPIKVEILRFDPLAVLFKNVIHDSEIEVIKELASPKLKRATVQNSKTGELEHATYRISKSAWLKGDLDPVIDRVNRRIEDFTNLNQATSEELQVANYGLGGHYDPHFDFARKEEKNAFKTLNTGNRIATVLFYMSQPERGGATVFNHLGTAVFPSKNDALFWYNLRRDGEGDLRTRHAACPVLLGVKWVSNKWIHEKGQEFTRPCGLEEEVQENFIGDLSPYANDP,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_e144ac3184fb273d67172e22,test
catpreddb_km_km_28f95bffb569d7,catpred_iteration1_km,km,Q7PXA7,Q7PXA7,MAIMLCYEGRLSLYCFLGGMASLLVFYGAEAFLHEESIWTKVALSVGYYISLNVIIRIRYNPRDYQIAVRAAFLGTVLSAGIVVVLYAQEQYKSFGIYATLMALFHYTEYLGIAICNPKTLSPDSFILNHSIHYGLAAAASWIEYFVEVHYFPEMKTYKSVWIAGLLLCLAGESLRKVAMITASKNFSHIVQFERHNEHELVTHGVYGWMRHPSYVGWFYWSIGTQITLANPVCFVIYAIASWKFFHDRILMEEITLLNFFGEEYIQYQERVPSGLPYISGFRVEP,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.1739251972991736,,s_7429b4bba47ab802151624e7,test
catpreddb_km_km_2916102589e9c4,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3133325291026798,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_293a2cd89a1369,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_294d1ae6e12a20,catpred_iteration1_km,km,Q8GAJ0,Q8GAJ0,MGRIGILGAGLAGLAAATKLAEAGENVTVFEARNRPGGRVWSETLDTPKGSYVIERGAEFVLDGYTSMRRLLSQFGLSLVDTGMSYYVREPGDTTGITCDDIIRTGREALELASGSGLQGTAEELLAKLPDEPELVDALRARIEISTAVSASEVTARSLQHIASFEPKPSWRVAGGNQRLPDAMAAALGSAVRYGETVRAVENISDGGVLVTTDTDTSVFDTVVVALPLAVIRDSQLNLPTTEARDAALKHVLQGHAAKLHLPLETQPATSAVMSVEGRYWTWTATDESGAVAPVLNAFMGSPSAITRANLKQRPAEWVAKARALRTDLAIPQDAAALTTVWSEDQLAGGAYAAHAPGVTAAGTALLEKPVGDVFWAGEYSEPEFVGLMEGAIRSGERAAGRVMQRLETKSGNSDSERSKA,CNCCCC(=O)O,CNCCCC(=O)O,CNCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_e43b37a4fcd802b5650850fb,test
catpreddb_km_km_294f560a2e3466,catpred_iteration1_km,km,Q70GK9,Q70GK9,MAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSGAGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFYSREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVSAIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADAGEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEAR,[F-],[F-],[F-]>>,public_strict_iteration1_fulltrue_msa,,0.8418813224872084,,s_54d0045dd302676c073cb3d0,test
catpreddb_km_km_29514eb5d2b70e,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,CC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.431798275933005,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_2952f55e942be7,catpred_iteration1_km,km,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCCCN,CC(O)=NCCCCCN,CC(O)=NCCCCCN>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_km_km_295548999e9db4,catpred_iteration1_km,km,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=[N+]([O-])c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3699485742825143,,s_05faba509306d0ae6d9f3eea,test
catpreddb_km_km_2960d383f337c6,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O>>,public_strict_iteration1_fulltrue_msa,,-2.8498143301938903,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_29670cd0ccb1e6,catpred_iteration1_km,km,P97608,P97608,MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEEGVLLPRGRPLDTSRIASIRMGTTVATNALLERQGERVALLVTRGFRDLLHIGTQARPDLFDLAVPMPEVLYEEVLEVDERVVLYRGEPGAGSPVKGRTGDLLEIQQPVDLEALRGKLEGLLSRGIHSLAVVLMHSYTWAQHEQQVGTLARELGFTHVSLSSEVMPMVRIVPRGHTACADAYLTPTIQRYVQGFRRGFQGQLKNVQVLFMRSDGGLAPMDAFSGSRAVLSGPAGGVVGYSATTYHLEGGQPVIGFDMGGTSTDVSRYAGEFEHVFEASTAGVTLQAPQLDINTVAAGGGSRLFFRSGLFVVGPESAGAHPGPACYRKGGPVTVTDANLVLGRLLPASFPCIFGPGEDQPLSPEASRKALEAVAMEVNSFLTNGPCPASQLSLEEVAMGFVRVANEAMCRPIRALTQARGHDPSAHVLACFGGAGGQHACAIAIPVHLGAMQETVQFQIQHLGADLHPGDVLLSNHPSAGGSHLPDLTVITPVFWPGQTRPVFYVASRGHHADIGGITPGSMPPHSTTLQQEGAVFLSFKLVQGGVFQEEAVTEALRAPGKISGCSGTRNLHDNLSDLRAQVAANQKGIQLVGELIGQYGLDVVQAYMGHIQANAELAVRDMLRAFGTSRQARGLPLEVSAEDHMDDGSPICLRVQINLSQGSAVFDFTGSGSEVFGNLNAPRAITLSALIYCLRCLVGRDIPLNQGCLAPVRVIIPKGSILDPSPEAAVVGGNVLTSQRVVDVILGAFGACSASQGCMNNVTLGNARMGYYETVAGGAGAGPGWHGRSGVHSHMTNTRITDPEILESRYPVILRRFELRPGSGGRGRFRGGDGVVRELVFREEALLSVLTERRAFQPYGLHGGEPGARGLNLLIRKDGRTVNLGGKTSVTVYPGDVFCLHTPGGGGYGDPEDPAPPPGSPPLFPAFPERGSVFEYRRAQEAV,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6809412898650513,,s_1bc53897037525803578d594,test
catpreddb_km_km_29691d908d5015,catpred_iteration1_km,km,P36269,P36269,MARGYGATVSLVLLGLGLALAVIVLAVVLSRHQAPCGPQAFAHAAVAADSKVCSDIGRAILQQQGSPVDATIAALVCTSVVNPQSMGLGGGVIFTIYNVTTGKVEVINARETVPASHAPSLLDQCAQALPLGTGAQWIGVPGELRGYAEAHRRHGRLPWAQLFQPTIALLRGGHVVAPVLSRFLHNSILRPSLQASTLRQLFFNGTEPLRPQDPLPWPALATTLETVATEGVEVFYTGRLGQMLVEDIAKEGSQLTLQDLAKFQPEVVDALEVPLGDYTLYSPPPPAGGAILSFILNVLRGFNFSTESMARPEGRVNVYHHLVETLKFAKGQRWRLGDPRSHPKLQNASRDLLGETLAQLIRQQIDGRGDHQLSHYSLAEAWGHGTGTSHVSVLGEDGSAVAATSTINTPFGAMVYSPRTGIILNNELLDLCERCPRGSGTTPSPVSGDRVGGAPGRCWPPVPGERSPSSMVPSILINKAQGSKLVIGGAGGELIISAVAQAIMSKLWLGFDLRAAIAAPILHVNSKGCVEYEPNFSQEVQRGLQDRGQNQTQRPFFLNVVQAVSQEGACVYAVSDLRKSGEAAGY,N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3705904008972811,,s_3e522460abccf995f0eab705,test
catpreddb_km_km_2998530c6cdedc,catpred_iteration1_km,km,A0A0G2T690,A0A0G2T690,MVSSLPPIIAGAAIYRLVSSKTLPDLTSAFFELEIPDQISLLSLLFASVFSAVSISGFIAPPGHNDDDDEDEHKPPFQYPLKEIASKTTDKEKFLSVYPCLRDSIAEYFATKHEMVPEGVNWITEMIDYSCVGGKMNRGITVLTVARTLSGSSGLTPREEARASVVGWGIEFLQAFFLVADDLMDDSKTRRGQPCWYLLPKVGTIAVNDSFLLESFVFTFLKEHFGKEPYYIKLVELFLETIQQTECGQLLDLTSQPKDAKTADLSRFTIERYRKIVKYKTAFYSFYLPVASAMLMSGVTNSKSFKTARNICCIMGEYFQIQDDVLDCYGTPEVIGKVGTDIQDNKCSWLIVQALDRATPEQRKVIEENYGKWDDAKVAKIKAIYNEMGLKSVFEKYEEDSYAEIQEELKKINDIPQEVFTLFLDKIYKRSK,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6706128395778217,,s_e69bdfd6698e15450ce39b87,test
catpreddb_km_km_299bf28a9f205f,catpred_iteration1_km,km,Q8CFX1,Q8CFX1,MLLAAMCLALLGCLQAQELKGHVSIILLGATGDLAKKYLWQGLFQLYLDEAGKGHSFSFHGAALTAPQQGQKLMDKVLESLSCPKDLVPSRCDELKGQFLQLSQYRQLKTVEDYQTLNKDIETQVQQDGLWEAGRIFYFSVPPFAYADIARNINSSCRPHPGAWLRVVFEKPFGHDHLSAQQLASELGSFFQEEEMYRVDHYLGKQAVAQILPFRDQNRKALDGLWNRHHVERVEIILKETIDAEGRASFYEEYGVIRDTLQNHLTEILTLVAMELPLNISSSAAVLQHKLWAFQALRGLQKSSAILGQYQAYSGQVRRELQKPDGFQSLTPTFAGVLVHIDNLRWEGVPFILMSGKALDERVGYVRIVFKNRAYCTQSERHWVPEQSRCLPQQIIFYIGHGELGHPAILVSRNLFKPSLPTQKWKEVQDQPGLRLFGRPLSDYYAYRPVREQDAYSTLLSHIFHCRKESFITTENLLASWVFWTPLLDSLAFEVPRPYPGGAENGQLLDFEFSGGQLTFSQQQLEVLIPDLGSVPKPSDFQVLGARYRQSPLITAWPEELISKLASDIEAAAVQAVRHFGKFHLALSGGSSPIALFQQLATGHYSFPWAHTHLWLVDERCVPLSDPDSNFQGLQAHLLQHVRVPYYNIHPMPVHLHQRLCAEEDQGAQTYASEISALVANSSFDLVLLGMGTDGHTASLFPQSPTGLDGDQLVVLTESPFRPHQRMSLSLPLINRAKKVAVLVMGRTKREITTLVSRVGHEPKKWPISGVVPLSGQLVWYMDYEAFLG,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.5402781808225912,,s_c9e6061fcb35fa36b2f38e0f,test
catpreddb_km_km_299ca235d6285f,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,OC1C=Cc2ccccc2C1O,OC1C=Cc2ccccc2C1O,OC1C=Cc2ccccc2C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3767507096020995,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_29b1c58c9876de,catpred_iteration1_km,km,B0B758,B0B758,GVGFQAGVKDYKLTYYTPEYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVPGEDSQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPPAYSKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRACYECLRGGLDFTKDDENVNSQPFMRWRDRFVFCAEAIYKAQAETGEIKGHYLNATAGTCEEMMKRAVFARELGVPIVMHDYLTGGFTANTTLSNYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRMSGGDHIHSGTVVGKLEGEREMTLGFVDLLRDDYIEKDRSRGIFFTQDWVSMPGVIPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAREGNEIIRAACKWSPELAAACEVWKAITFDFKPVDT,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,-2.7328282715969863,,s_2a5ca5ca06bd88a7649f44a4,test
catpreddb_km_km_29b2dac14c9bd9,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O)[C@@H](C)CC,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O)[C@@H](C)CC,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O)[C@@H](C)CC>>,public_strict_iteration1_fulltrue_msa,,-2.886056647693163,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_29b6e5100b01e4,catpred_iteration1_km,km,G9FRD6,G9FRD6,MNFREKYGQWGIVLGATEGIGKASAFELAKRGMDVILVGRRKEALEELAKAIHEETGKEIRVLPQDLSEYDAAERLIEATKDLDMGVIEYVACLHAMGQYNKVDYAKYEQMYRVNIRTFSKLLHHYIGEFKERDRGAFITIGSLSGWTSLPFCAEYAAEKAYMMTVTEGVAYECANTNVDVMLLSAGSTITPTWLKNKPSDPKAVAAAMYPEDVIKDGFEQLGKKFTYLAGELNREKMKENNAMDRNDLIAKLGKMFDHMA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_85d74e1f33f22bbece3eb735,test
catpreddb_km_km_29cafaf7ade999,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.1931245983544616,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_29f60af0a7012c,catpred_iteration1_km,km,Q9ZN55,Q9ZN55,MKTSNTKTPKPVLIAGPCVIESLENLRSIAIKLQPLANNERLDFYFKASFDKANRTSLESYRGPGLEKGLEMLQTIKDEFGYKILTDVHESYQASVAAKVADILQIPAFLCRQTDLIVEVSQTNAIVNIKKGQFMNPKDMQYSVLKALKTRDSSIQSPTYETALKNGVWLCERGSSFGYGNLVVDMRSLKIMREFAPVIFDATHSVQMPGGANGKSSGDSSFPPILPRAAAAVGIDGLFAETHIDPKNALSDGANMLKPDELEHLVTDMLKIQNLF,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.1566818653688533,,s_6c6a9128c0ab4434580051fd,test
catpreddb_km_km_2a01c777b481b0,catpred_iteration1_km,km,Q60154,Q60154,MADEIFDLIVLGAGPGGYVGAIRAAQLGMKVAVVESRPTLGGVCLNEGCIPSKALLDSSEHFALARDKFDMHGIEIPAPKLNLAKMMERKEGVVSDLTGGIAFLFKKNKVTWIKGRGKLLGAGGDGLQQVEVTGKNAGVVKGKNVLLATGGKVAQVPGITVDNDVIIDNVGALSIDKVPEHLMIIGAGYIGLELGSVWLRLGSKVTVVEMLPKMLPKTDADTTQALQRSLKKQGMTFNMGTTVGGIEVSGGKATVKLVKNDKEKEVVCDKVLMSIGRKPNTDGLGLEELGVEMGERGTIKVDDNYATNVPGIYAIGDLIPGPMLAHKASEEAVVFVERLVGKNSEVHYGTIPGVCYTWPEVASVGKTEQQLQEEGTPVKVGKFNFVGNGRARAMAETEGFVKIIAHAENGQVLGVHIFGPRASDMIAEAVAVMSYGGTAHDIGAMFHGHPTLSEAVKEAALDVDGAAVHC,N=C(O)CCCCC1CCSS1,N=C(O)CCCCC1CCSS1,N=C(O)CCCCC1CCSS1>>,public_strict_iteration1_fulltrue_msa,,0.568201724066995,,s_d02c2fdf8b0ae996ba178ff8,test
catpreddb_km_km_2a177cc8c15a6c,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.619788758288394,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_2a23c40881ca95,catpred_iteration1_km,km,P32055,P32055,MSKQRVFIAGHRGMVGSAIRRQLEQRGDVELVLRTRDELNLLDSRAVHDFFASERIDQVYLAAAKVGGIVANNTYPADFIYQNMMIESNIIHAAHQNDVNKLLFLGSSCIYPKLAKQPMAESELLQGTLEPTNEPYAIAKIAGIKLCESYNRQYGRDYRSVMPTNLYGPHDNFHPSNSHVIPALLRRFHEATAQNAPDVVVWGSGTPMREFLHVDDMAAASIHVMELAHEVWLENTQPMLSHINVGTGVDCTIRELAQTIAKVVGYKGRVVFDASKPDGTPRKLLDVTRLHQLGWYHEISLEAGLASTYQWFLENQDRFRG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_5759da3e7fd9d6e38286434c,test
catpreddb_km_km_2a261c0b6469d9,catpred_iteration1_km,km,S5RVR8,S5RVR8,MKLHHLLLSLVPLAGSVYAQVAAPYVDSGNGFVFDGITDPVYHVSYGIVLPQATTSSEFIGEIVAPLDAKWIGLALGGAMIGDLLIVAWPNGNEIVSSTRYATAYQLPDVYEGPTITTLPSSLVNSTHWKFVFRCQNCTSWEGGGGIDPTGTGVFAWAYSSVGVDDPSDPNTTFQEHTDFGFFGINFPDAQNSNYQNYLQGDAGTPPPTSTPTGPTTTTTPTGPTVSATPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTAQTGGTYDAPWAKSANLTKFDIPGLFESMFTDPNPWWWCKDTNFFAGCLLGGGTSVNGALYWLPTDSDFSSQNGWPTSWGNHQPYTTKLKQRLPSTDHPSTDGQRYLEQSATVVSQLLSGQGYQQITINDNPDYKDHVYGYSAFDFINGQRAGPVATYLQTALARSNFVYKDYTLVSQVLRNGSTITGVRTNNTALGPNGIVPLNPNGRVILAAGSFGTPRILFQSGIGPTDQIQTVESNPTAAANLPPQSDWINLPVGQAVSDNPSINLVFTHPSIDAYENWADVWSDPRPADAQQYLQSRSGVFAGASPKLNFWRAYGGSDGKTRYAQGTVRPGAASVNTSVAYNASQIFTITVYLSEGITSRGRLGVDAALNMKAVTNPWLTDPVDKTVLLQALHDVVSNINSVPGLTMITPDHTQTIEEYVAAYDPATMCSNHWVGAAKIGSSPSTAVVDENTKVFNTDNLFIVDASIIPALPVGNPHGMLMSAAEQAAAKILALAGGP,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0265774430196886,,s_540537e487379d25dd5c36c3,test
catpreddb_km_km_2a273a694755d5,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6466860373126817,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_2a3889c8038960,catpred_iteration1_km,km,A9XWD7,A9XWD7,MSIETNTYDVIVVGSGAGAMLAAARAHDLGLSVLVVEKSDKYGGTSAVSGGAVWIPNNSQMQIKDSFDEALTYLKAATQGLVAEDRLLAYLESAPQMVEYINANMTLQYFPCHRYPDYYQHLPGAKPGGRTMEPMLFDAALLGDEFANLRMAYTGTLLMGKASMTATEAHVMLAKEPGWMLQVIKSLGRYYLDLPWRLKSRHDRKRGLGNAMAAGLRHALLERKVPLWLNTPFESLITEGAENKRVTGIVVKRNGQTLQLTARRGVVLGAGGFERNQQMREQYLPKPTNAAWSATPPHNTGDTIRAAMDIGARAELMDWAWWVPSIHVPGEAAQTGLFAERNLPGCIVVNGKGQRFINEASPYLEFGAAMYENHARSGSAVPAWLIFDGKFRYNYPMGPLMPGQIQPDRKAWLGKVYWRDDTLEGLAKQIGVDAAGLKQSVELNNQYAQDGKDREFDKGGNVFDRYYGDYNVKPNPCLAPIGKPPYYAMRVDAGDIGTKGGLLTDKDARVLDESDRPIEGLYCIGNNSASVMGKAYPGAGGTLGPAMTFGFRAANHIAASK,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1>>,public_strict_iteration1_fulltrue_msa,,-1.0395068203616786,,s_be9cc8c9d1978052c4026337,test
catpreddb_km_km_2a3f1ed64cd745,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-],CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-],CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.6536470255493614,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_2a400c1aa95b58,catpred_iteration1_km,km,B0JFD4,B0JFD4,MLRRSVLCAVQHKQLWQRQRSMSSLLCSKALIDGKWVSALSGDTFEVKNPANGKVIGSVPNMNEKDAQMAITAARNAFYSEEWTSLTAKQRSQLLKNWYHLIEKHTQEIAEIMTAESGKPIIESKAEVFYGNAFMEWFAEEARRIYGEIVPTPVPNRELIVMKQPLGVAALITPWNFPLAMITRKAGAALAAGCTVVIKPAEDTPFTALAVAKLAEEAGIPKGVVNVVTSNKAPPIGELFCKSPDVQGISFTGSTEVGKILFRQSADGIKRVSLELGGNAPFIVFDSANLEKAVDGAMASKFRNCGQTCVSSNRFFVQEGIYDKFVAALKERVEALKIGPGDKDTTQVGPLVNAMQFNKVSGFVEDARSKNAEILCGGKPLKELGDLFYAPTVVTNIPPNAKIYTEEVFGPVVSIIKFSTEEEALAKANESRRGLAGYFYSDNIQQIFRVAKRLEVGMVGVNEGLISAAEAPFGGIKESGIGREGSHHGIDEYTEVKYICIGNLKYN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.458420756053419,,s_f4328dd84240d18560a03152,test
catpreddb_km_km_2a432a982d6e8c,catpred_iteration1_km,km,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.877243666092925,,s_006f723d5d8d505a1b6694d0,test
catpreddb_km_km_2a5d9a3650bf32,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.75039168592808,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_2a68872108a3bf,catpred_iteration1_km,km,Q9SAH9,Q9SAH9,MLVDGKLVCVTGAGGYIASWIVKLLLERGYTVRGTVRNPTDPKNNHLRELQGAKERLTLHSADLLDYEALCATIDGCDGVFHTASPMTDDPETMLEPAVNGAKFVIDAAAKAKVKRVVFTSSIGAVYMNPNRDTQAIVDENCWSDLDFCKNTKNWYCYGKMLAEQSAWETAKAKGVDLVVLNPVLVLGPPLQSAINASLVHILKYLTGSAKTYANLTQVYVDVRDVALGHVLVYEAPSASGRYILAETALHRGEVVEILAKFFPEYPLPTKCSDEKNPRAKPYKFTTQKIKDLGLEFKPIKQSLYESVKSLQEKGHLPLPQDSNQNEVIIES,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-2.3279021420642825,,s_b5f6d9163eaf383b66897a43,test
catpreddb_km_km_2a6d1bc74ae9fc,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.3279021420642826,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_2a810bc789a4e7,catpred_iteration1_km,km,Q17427,Q17427,MSHIFDASVLAPHIPSNLPDNFKVRPLAKDDFSKGYVDLLSQLTSVGNLDQEAFEKRFEAMRTSVPNYHIVVIEDSNSQKVVASASLVVEMKFIHGAGSRGRVEDVVVDTEMRRQKLGAVLLKTLVSLGKSLGVYKISLECVPELLPFYSQFGFQDDCNFMTQRF,N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,N[C@H]1C(O)O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8569851997459049,,s_8de33c8ccd395e59df5f3bd8,test
catpreddb_km_km_2a83907ef75783,catpred_iteration1_km,km,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.545839175082942,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_km_km_2a8646f275551d,catpred_iteration1_km,km,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12>>,public_strict_iteration1_fulltrue_msa,,-0.6252516539898961,,s_27531fb3688217415c49ec38,test
catpreddb_km_km_2aa8b7e1a59a55,catpred_iteration1_km,km,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_140aab011c2ec3f979562c0c,test
catpreddb_km_km_2acdf4f8db7000,catpred_iteration1_km,km,P11178,P11178,MQGSAKMAMAVAVAVARVWRPSRGLGRTGLPLLRLLGARGLARFHPHRWQQQQHFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYKSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALDDTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDLGKGRQMPVHYGCRERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGILSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHHLQSRGWWDDEQEKAWRKQSRKKVMEAFEQAERKLKPNPSLIFSDVYQEMPAQLRKQQESLARHLQTYGEHYPLDHFEK,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_6ab38fd0f667596d6f2abce4,test
catpreddb_km_km_2ad459280cd9a3,catpred_iteration1_km,km,Q7WG29,Q7WG29,MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLATNQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACRKPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGRKTLAQGGLPEGTRVCEDLAAVAEQLLQEA,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1674910872937636,,s_f6b925754d8a6e851a8f041b,test
catpreddb_km_km_2b277870d3dcdd,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.2218487496163566,,s_955f208818110e17c458234b,test
catpreddb_km_km_2b28d0d50fed88,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,CC(O)=Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,CC(O)=Nc1ccn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.1812551352437446,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_2b2f31fa2a6c65,catpred_iteration1_km,km,P32811,P32811,MEGGAKSNDVSAAPIAQPLSEDPTDIASNIKYHAQYTPHFSPFKFEPLQAYYAATADSVRDRLIKQWNDTYLHYDKVNPKQTYYLSMEYLQGRALTNAVGNLDIHNAYADALNKLGQQLEEVVEQEKDAALGNGGLGRLASCFLDSMATLNLPAWGYGLRYRYGLFKQLITKAGQEEVPEDWLEKFSPWEIVRHDVVFPIRFFGHVEVLPSGSRKWVGGEVLQALAYDVPIPGYRTKNTNSLRLWEAKASSEDFNLFLFNDGQYDAAAQLHSRAQQICAVLYPGDATENGKLLRLKQQFFLCSASLQDIIARFKEREDGKGSHQWSEFPKKVAIQLNDTHPTLTIPELMRLLMDDEGLGWDESWNITTRTIAYTNHTVLPEALEKWSQAVMWKLLPRHMEIIEEIDKRFVATIMSERPDLENKMPSMRILDHNATKPVVHMANLCVVSSHTVNGVAQLHSDILKAELFADYVSVWPTKFQNKTNGITPRRWIRFCSPELSHIITKWLKTDQWVTNLELLANLREFADNSELHAEWESAKMANKQRLAQYILHVTGVSIDPNSLFDIQVKRIHEYKRQLLNILGVIYRYKKLKGMSPEERKNTTPRTVMIGGKAFATYTNAKRIVKLVTDVGDVVNSDPDVNDYLKVVFVPNYNVSVAEMLIPGSELSQHISTAGMEASGTSNMKFALNGCLIIGTLDGANVEIREEIGEDNFFLFGATADEVPQLRKDRENGLFKPDPRFEEAKQFIRSGAFGTYDYNPLLESLEGNSGYGRGDYFLVGHDFPSYMDAQARVDEAYKDRKRWIKMSILSTSGSGKFSSDRTISQYAKEIWNIAECRVP,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.3004864478433741,,s_2800d25335d28e804e4d45a0,test
catpreddb_km_km_2b41f2984c3769,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.0457574905606752,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_2b46acab078449,catpred_iteration1_km,km,Q5UVJ4,Q5UVJ4,MEVICKHYTPLDIASQAIRTCWQSFEYSDDGGCKDKELIHRVGNIFRHSSTLEHLYYNFEIKGLSRGALQELSRHRIASLSVKSSRYTLRELKEVESFLPLNETNLERAREFLVFVDNEKVNAMSVLALENLRVLLSEHNIKNDLAKYAMPESYKTHLAYSINARSLQNLLTLRSSNKALKEMQDLAKALFDALPGEHQYLFEDCLKH,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_be183d54763f7cbbb0450d28,test
catpreddb_km_km_2b6207805279cd,catpred_iteration1_km,km,Q86M89,Q86M89,MVVEPLTLLALAAVATAKNINVEDAIDLEDITAYGYLAKIGKPLADEIRKAEEAEGASRIVGGQASSLGQFPYQAGLLADFSAGQGVCGGSLVRANRVLTAAHCWFDGQNQAWRFTVVLGSIRLFSGGTRVQTSNVVMHGSWNPSNIRNDVAMIRLNSNVGLSNTIALIALPSGSQLNENFAGENAVASGFGRTSDGAGGGITTNQFLSHVTLPVITNAVCRSSFPLIVQDSNICTSGAGGRSTCQGDSGGPLVVTRSGRPLLIGVTSFGSARGCQVGSPAAFARVTSFMSWINGQL,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H](CC(C)C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H](CC(C)C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)[C@H](CC(C)C)N=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_da537361b6d2652c6797bef1,test
catpreddb_km_km_2b64c8c2645482,catpred_iteration1_km,km,Q10SX6,Q10SX6,MARGVSYVSAAQLVPMLRDPRIAVVDVRDEERIYDAHIAGSHHYASDSFGERLPELAQATKGKETLVFHCALSKVRGPSCAQMYLDYLSEADEDSDVKNIMVLERGFNGWELSGRPVCRCKDAPCKGVCS,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.1760912590556811,,s_9378482e2518ffcd1f779199,test
catpreddb_km_km_2b64e5fed27d47,catpred_iteration1_km,km,Q8YPB4,Q8YPB4,MQSYKYQQKKNLEKSYTREDWQGGYKSLRQEFDYWIDDVEGEIPTELQGTLFRNGPGLLDIKGQSIHHPFDGDGMISRISFVNGRAHYRNSFVKTEGYLAEKNAGKILHRGVFGTQKPGGWLANIFDFKLKNIANTNVIYWGEKLLALWEAAEPHRLDPKTLDTLGKEYFHGVLSAGEAFGAHPRFDPSCEQDNGAPCLVNFSIKPGLSTTITIFELNVAGEVVRKHAHHVPGFCFIHDFVITPNHCIFFQNPVSFNPIPFALGLRGAGECIQVQPNQPTRIIVIPRFPQSGQKEIKTLEVGSGFIFHHVNAFVVGEEILVDSLCYDSLPEVEPESDFRQVDFEAIAPGQLWRFYLNLKDGTVQKKLIESRCCEFPAIHPRNVGRSYRYLYMSAAHAATGNAPLQALLKIDLESGEKQIWSVAPRGFTGEPIFVPRPGSEKEDDGWVLALVYDAAHHRSDVVILDASDFTKGAIARLHLQHHVPYGLHGNFTPQVFV,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-1.6108339156354676,,s_6f17ac7c709e3470716b7e32,test
catpreddb_km_km_2b736d7f6a1c8c,catpred_iteration1_km,km,P05108,P05108,MLAKGLPPRSVLVKGCQTFLSAPREGLGRLRVPTGEGAGISTRSPRPFNEIPSPGDNGWLNLYHFWRETGTHKVHLHHVQNFQKYGPIYREKLGNVESVYVIDPEDVALLFKSEGPNPERFLIPPWVAYHQYYQRPIGVLLKKSAAWKKDRVALNQEVMAPEATKNFLPLLDAVSRDFVSVLHRRIKKAGSGNYSGDISDDLFRFAFESITNVIFGERQGMLEEVVNPEAQRFIDAIYQMFHTSVPMLNLPPDLFRLFRTKTWKDHVAAWDVIFSKADIYTQNFYWELRQKGSVHHDYRGILYRLLGDSKMSFEDIKANVTEMLAGGVDTTSMTLQWHLYEMARNLKVQDMLRAEVLAARHQAQGDMATMLQLVPLLKASIKETLRLHPISVTLQRYLVNDLVLRDYMIPAKTLVQVAIYALGREPTFFFDPENFDPTRWLSKDKNITYFRNLGFGWGVRQCLGRRIAELEMTIFLINMLENFRVEIQHLSDVGTTFNLILMPEKPISFTFWPFNQEATQQ,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-0.7851561519523022,,s_a97380fe4bf1f95f9d7ca044,test
catpreddb_km_km_2b8244148a6f1d,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCCN,CCCN,CCCN>>,public_strict_iteration1_fulltrue_msa,,0.4232458739368078,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_2b9389fe306834,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,Oc1ccc2ccc3c4ccccc4cc4ccc1c2c43,Oc1ccc2ccc3c4ccccc4cc4ccc1c2c43,Oc1ccc2ccc3c4ccccc4cc4ccc1c2c43>>,public_strict_iteration1_fulltrue_msa,,-0.3036436112666679,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_2bafb1747fc4d3,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.5532927285866872,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_2bb8fde0b98306,catpred_iteration1_km,km,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,BrCCCBr,BrCCCBr,BrCCCBr>>,public_strict_iteration1_fulltrue_msa,,0.8573324964312685,,s_e220e6dd4311615191e3744b,test
catpreddb_km_km_2bc16a84498bd2,catpred_iteration1_km,km,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.0365716455251537,,s_48e9b1367836a0093d7ae75d,test
catpreddb_km_km_2bc9c0f5a87acf,catpred_iteration1_km,km,Q8VHF5,Q8VHF5,MALLTAAARLLGAKNSSCLVLAARHASASSTNLKDILSNLIPKEQARVKTFRQQHGKTVVGQITVDMMYGGMRGMKGLVYETSVLDPDEGIRFRGYSIPECQKLLPKAKGGEEPLPEGLFWLLVTGQMPTEEQVSWLSQEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAITALNSESNFARAYAEGINRTKYWELIYEDCMDLIAKLPCVAAKIYRNLYREGSSIGAIDSKLDWSHNFTNMLCYTEPQFTELMRLYLTIHSDHDGGNVSAHTSHLVGSALSDTYLSFAAAMNGLAGPLHGLANQEVLVWLTQLQKEVGKDVSDEKLRDYIWNTLNSGRVVPGYGHAVLRKTDPRYSCQREFALKHLPKDPMFKLVAQLYKIVPNILLEQGKAKNPWPNVDAHSGVLLQYYGMTEMNYYTVLFGVSRALGVLAQLIWSRALGFPLERPKSMSTDGLMKFVDSKSG,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.604057233585857,,s_d0c6cf86befa4642af938787,test
catpreddb_km_km_2bde725ce24495,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.8488315408447024,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_2be50940b5adf2,catpred_iteration1_km,km,K4CB47,K4CB47,MGSEKMMKINIKESTLVKPSKPTPTKRIWSSNLDLIVGRIHLLTVYFYKPNGSSNFFDNKVIKEALSNVLVSFYPMAGRLGRDEQGRIEVNCNGEGVLFVEAESDSCVDDFGDFTPSLELRKLIPSVETSGDISTFPLVIFQITRFKCGGVALGGGVFHTLSDGLSSIHFINTWSDIARGLSVAVPPFIDRTLLRARDPPTSSFEHVEYHPPPTLNSSKNRESSTTTMLKFSSEQLGLLKSKSKNEGSTYEILAAHIWRCTCKARGLPEDQLTKLHVATDGRSRLCPPLPPGYLGNVVFTATPIAKSCELQSEPLTNSVKRIHNELIKMDDNYLRSALDYLELQPDLSTLIRGPAYFASPNLNINSWTRLPVHECDFGWGRPIHMGPACILYEGTIYIIPSPNSKDRNLRLAVCLDAGHMSLFEKYLYEL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_8cb0426bcd3214c6ac076000,test
catpreddb_km_km_2be8b8b771650c,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.255272505103306,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_2be99f7066fdd3,catpred_iteration1_km,km,Q9KWR0,Q9KWR0,MSAIRVGIVGYGNLGRGVEFAISQNPDMELVAVFTRRDPSTVSVASNASVYLVDDAEKFQDDIDVMILCGGSATDLPEQGPHFAQWFNTIDSFDTHAKIPEFFDAVDAAAQKSGKVSVISVGWDPGLFSLNRVLGEAVLPVGTTYTFWGDGLSQGHSDAVRRIEGVKNAVQYTLPIKDAVERVRNGENPELTTREKHARECWVVLEEGADAPKVEQEIVTMPNYFDEYNTTVNFISEDEFNANHTGMPHGGFVIRSGESGANDKQILEFSLKLESNPNFTSSVLVAYARAAHRLSQAGEKGAKTVFDIPFGLLSPKSAAQLRKELL,[NH4+],[NH4+],[NH4+]>>,public_strict_iteration1_fulltrue_msa,,1.0334237554869496,,s_68da8d735af24f5f6ba0cee8,test
catpreddb_km_km_2bf3bc3bfa77b6,catpred_iteration1_km,km,A0A0F6WQB2,A0A0F6WQB2,MAIELNVGRKVTVTVPGSSANLGPGFDTLGLALSVYDTVEVEIIPSGLEVEVFGEGQGEVPLDGSHLVVKAIRAGLKAADAEVPGLRVVCHNNIPQSRGLGSSAAAAVAGVAAANGLADFPLTQEQIVQLSSAFEGHPDNAAASVLGGAVVSWTNLSIDGKSQPQYAAVPLEVQDNIRATALVPNFHASTEAVRRVLPTEVTHIDARFNVSRVAVMIVALQQRPDLLWEGTRDRLHQPYRAEVLPVTSEWVNRLRNRGYAAYLSGAGPTAMVLSTEPIPDKVLEDARESGIKVLELEVAGPVKVEVNQP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_caa0a32ed7a57ef1e0e40f92,test
catpreddb_km_km_2c0f93f9b971fb,catpred_iteration1_km,km,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,COc1cc(/C=C/C(=O)O)cc(OC)c1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,0.1205739312058498,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_km_km_2c11c276c598e4,catpred_iteration1_km,km,P50317,P50317,MGDLTIPTMDDIDIQSKKVLLRIDINSPVDENGKIIDDSRIKAHIGTIKELINKGNSVVLISHQGRPGDKDFTSLEEHAKLISKYLDREVIFVDDVIGPYAREMIKKLENNGILLLDNIRLISEELIEAPPQQHVKSFLVKKLAPLFDIYINDAFATAHRSQPSIVGFPLALPSAAGRVMEREVSALAKIFNAEDTPKIFTLGGGKVHDTIRIIENLVRKRIADRILTGGLVAELFSVAKGMNLNPKNMEILEKLGILSLIPRARKLLLSGAPIEIPVDYKVEINGNVIEEPASKVTGIIKDIGSTTAEIYSSFIKDAKVVVLRGPMGVIEDERFKSGSKSVLKASLEGQGYVIIGGGHMISALDEDMKIDSSKVHISTGGGALLLFLSGERLPALEALSMSVVNSGD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0705810742857071,,s_84c1c44d3d3765119cda3118,test
catpreddb_km_km_2c13c23cfbbe7f,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_2c15dac5dd5b06,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_2c3f3131f0bc1e,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,N=C(O)c1ccc[n+]([C@@H](C=O)O[C@@H](C=O)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OP(=O)(O)O)[C@@H]2O)c1,N=C(O)c1ccc[n+]([C@@H](C=O)O[C@@H](C=O)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OP(=O)(O)O)[C@@H]2O)c1,N=C(O)c1ccc[n+]([C@@H](C=O)O[C@@H](C=O)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OP(=O)(O)O)[C@@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,2.3010299956639813,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_2c59ed0f02019f,catpred_iteration1_km,km,A5HII1,A5HII1,MGLPKSFVSMSLLFFSTLLILSLAFNAKNLTQRTNDEVKAMYESWLIKYGKSYNSLGEWERRFEIFKETLRFIDEHNADTNRSYKVGLNQFADLTDEEFRSTYLGFTSGSNKTKVSNRYEPRVGQVLPSYVDWRSAGAVVDIKSQGECGGCWAFSAIATVEGINKIVTGVLISLSEQELIDCGRTQNTRGCNGGYITDGFQFIINNGGINTEENYPYTAQDGECNLDLQNEKYVTIDTYENVPYNNEWALQTAVTYQPVSVALDAAGDAFKHYSSGIFTGPCGTAIDHAVTIVGYGTEGGIDYWIVKNSWDTTWGEEGYMRILRNVGGAGTCGIATMPSYPVKYNNQNHPKPYSSLINPPAFSMSKDGPVGVDDGQRYSA,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.2350770153501116,,s_239c32671c5506cdb591582f,test
catpreddb_km_km_2c611b756b765f,catpred_iteration1_km,km,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CC(=O)O)cc(OC)c1O,COc1cc(C=CC(=O)O)cc(OC)c1O,COc1cc(C=CC(=O)O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_km_km_2c803f0f41b440,catpred_iteration1_km,km,Q54530,Q54530,MNDHEVDVLVVGAGLGGLSTAMFLARQGVRVLVVERRPGLSPYPRAAGQNPRTMELLRIGGVADEVVRADDIRGTQGDFVIRLAESVRGEILRTVSESFDDMVAATEPCTPAGWAMLSQDKLEPILLAQARKHGGAIRFGTRLLSFRQHDDDAGAGVTARLAGPDGEYDLRAGYLVGADGNRSLVRESLGIGRYGHGTLTHMVGVIFDADLSGIMEPGTTGWYYLHHPEFKGTFGPTDRPDRHTLFVEYDPDEGERPEDFTPQRCVELIGLALDAPEVKPELVDIQGWEMAARIAERWREGRVFLAGDAAKVTPPTGGMSGNAAVADGFDLAWKLAAVLQGQAGAGLLDTYEDERKVAAELVVAEALAIYAQRMAPHMAEVWDKSVGYPETLLGFRYRSSAVLATDDDPARVENPLTPSGRPGFRGPHVLVSRHGERLSTVDLFGDGWTLLAGELGADWVAAAEAVSAELGVPVRAYRVGAGLTDPESAVSERYGIGKAGASLVRPDGIVAWRTDEAAADAAQTLEGVLRRVLDR,CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_796ad3d29fed616a47407a61,test
catpreddb_km_km_2c8a6223367ac2,catpred_iteration1_km,km,Q7Z8P9,Q7Z8P9,MSNEQTFIAIKPDGVQRGLIGPIISRFENRGFKLVAMKLVSPPQSQLEQHYADLSDKPFFKGLVSYMLSGPICAMVWEGRDVVKTGRTILGATNPLASAPGTIRGDFAIDVGRNVCHGSDSVENAKKEIALWFKPEELISWKSATFDWVYEKA,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2097148359667583,,s_cf15e7b0ad16095e703f227c,test
catpreddb_km_km_2c95a4195b3553,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.143961990806743,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_2ca760d23f5c7f,catpred_iteration1_km,km,A8AAX2,A8AAX2,MSENPLESLKVKRRELDKLDKEILRLLKRRFEIVKEITDTKKNLGLPVYDRDREEEVMVTRTVWGLELGIPQEFTKEMFKMILEESKKIQLYTPEKVYVGIYGYGGMGEQLVKVFSRAGHRVVVTGRNLEKAEGLAKRFKVEWGEPKEVAKEVEWLILAVPPKAVPGLVKELAPLMRSGALLSDISSVKKTLVEEVLKVLPEYIEYISLHPLFGPEVEPLGETVVVVPVKSYDYWVRLVQNIFVSMGFEVITSTPEEHDRAMAVTQVLHHFALVSLDEAAKKLSKEYGVDYMRYATRSFKKTLETIQRLKELSEVIDEIQEMNEYAAHAREEFLKVASQMDKRWRKGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2510371387438385,,s_1fd33a5fb1335a22b4e2aa22,test
catpreddb_km_km_2cd42d1ef95f8b,catpred_iteration1_km,km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public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_2ce8d36788cc39,catpred_iteration1_km,km,A0A250VP96,A0A250VP96,MATLSRWCRWKSATFMATLATALTLVTGVSVALAAGATGGAQASAAASAAASAASTKVTSASKVAANIATTTSATPSGIAPAMSCAGLTSLDLAAVVPGVPFEITSATELAAGNNTLGDWAACDVKGVIAPQIHFEVKLPETGWQANYLQVGCGGLCGNVNVGSAPASAGCVPLTSGAFAVAASDEGHYQGGGLFSADPTLRADFGYKSDHQLAQAAKAVIERYYGQAADHAYFDGCSQGGHQALTEAQRYPADFDGIIAGAPANNFTALNTFSHAWTAQSVYLGGGPATITNADLAALHAAVLKGCGAPTDGIIADPLSCTWDPAAIRCAAGQTSTSEDYCLTADQVTTLRRIYAGPTDENGKLLYPGYQLRGSELNWAGIITPATATGASGDISFVRETLRYQIFDSPQPTLTYKDVKFTAAYYKKVMEPNEGMYDATDPDLKAFKAAGGKLILWHGLGDQHIPAVGTMAYYKAVEKVMGGSAATEGFARLFLLPGVAHCGGGQGPDTFDALTAMTDWVTKGEAPSSLTTRSVDSGGNTTATRPVYPFPYVAKNTTGGPSDDAGSYTPVRSTAEANLTLNRLGSFRSGYETVGNWVHGKWVVSKGRA,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1>>,public_strict_iteration1_fulltrue_msa,,0.2695129442179163,,s_0c58ffe208892907ba94a6db,test
catpreddb_km_km_2cec3295830b9c,catpred_iteration1_km,km,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCCCC(=O)O,CCCCCCCC(=O)O,CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5114492834995558,,s_7c84c2d6fea9905641654dda,test
catpreddb_km_km_2cf944d563012b,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(=O)O,CC(=O)O,CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0293837776852095,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_2cfea3d440328d,catpred_iteration1_km,km,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.230148380526087,,s_2925763e116557ae8a1c8b26,test
catpreddb_km_km_2d1f9cdbe48450,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_2d216de89f9c97,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_2d26dd8d7d8c5b,catpred_iteration1_km,km,P31430,P31430,MLIIWWFWSLLAICASDSFRNQAENIMRTTPVIDGHNDLPWQMLTLFNNQLRKSEANLSALAETHTNIPKLRAGFVGGQFWSAYMPCDTQNKDAVKRILEQIDVIHRMCQLYPETFECVTNSSDILQAFRRGKVASLIGVEGGHLIDSSLGVLRTLYHLGMRYLTLTHNCNTPWADNWLVDKGDDEAESQGLSPFGKLVLNEMNRLGVMIDLSHVSVATMKDALQLSKAPVIFSHSSAYSVCPHRRNVPDDVLQLVKSTNSLVMVNFYNQFVSCSDSATLSQVADHLDHIKKVAGAGAVGLGGDYDGVTNLPVGLEDVSKYPDLIAELLRRNWTETEVRGLLAENLLRVFSAVELVSNIMQVPEEETIPVEKLDGSCRTFYGHSRAPSIHLQIGALLASLASLVFSLHLL,N[C@@H](CSSC[C@H](N)C(=O)NCC(=O)O)C(=O)NCC(=O)O,N[C@@H](CSSC[C@H](N)C(=O)NCC(=O)O)C(=O)NCC(=O)O,N[C@@H](CSSC[C@H](N)C(=O)NCC(=O)O)C(=O)NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_78e99e98f0034af4f2e8fcad,test
catpreddb_km_km_2d295568e43232,catpred_iteration1_km,km,Q2BN77,Q2BN77,MSNTYSLVNPFDNSPLGEYEYTPWATLENQLAMLKEGQLSQRKTAAFQRAGVLNKLAALLKEHSEEMATLITQETGKTILDSRVEMMRAYNAAIASAEEARQIQGESLDSDAYAPAGGKIGVVCWKPLGTILCITPFNFPINIAIHKIGPAYAAGNTILFKPGPQNTASAQLLVKLCYEAGMPENTLQLCMPEFSDLDRLNAHPDVNAINFTGGTAAANAISAAAGYKKLLLELGGNDPLIVMDDGDLEAATTAAINHRFATAGQRCTAAKRLFIHANVYEAFRDLLVEKSSKLVVGDPMKDDTFVGPVINQGAADQIRTLIEQAIEDGASVALGNQYEGAFVYPTILENVSPTSEIMVEEAFGPVMPLYKFESVEEIIPIINNTAYGLQAGVFSQNLATIKELYEQLDVGTLAANDGPGFRTEHFPFGGVKESGIGREGIKYAIREMSYTKTLVI,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_24ad5faa75eb0d1e815ab19b,test
catpreddb_km_km_2d3c8ecad3ac5e,catpred_iteration1_km,km,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_9cc6c1623917d877b3099a50,test
catpreddb_km_km_2d4468a0b88d76,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3617278360175928,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_2d49a97c7759e0,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-1.899039380495009,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_2d5a61c811693c,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-1.1591555636061546,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_2d5c1fce9054f7,catpred_iteration1_km,km,Q05A13,Q05A13,MNSVADTAIFFGKFLYYFLESLVFKVIPKRKKDVSGEIVLITGAGSGLGRLLAIHFASHGATLVLWDINQEGNMETCRLVKQKGDVKVFAYKCDCSSRIEVYRVADQVKEEVGDVTILINNAGVVTGKSFLNTPDHLVEKSFLVNAISHFWTCKAFLPAMVKANHGHLVCISSIAGLVGINGLSDYSSSKFAAFGFAESLFLELTMIMKTKVKSTIVCPYFIKTGMFEGCTTKYPLLLPLLEQEYVAQKIFNAILEEQVYLIIPKFAYVALFLKQIISPKMMIALGEYLGVDTCMTSFTGRVKAEELQMETKRKEQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.3372421683184259,,s_80451f6193ec13c29c76f6e2,test
catpreddb_km_km_2d636aea299a8a,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,O=C[C@H](O)[C@H](O)CO,O=C[C@H](O)[C@H](O)CO,O=C[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_2d654a8e58c8e3,catpred_iteration1_km,km,P05108,P05108,MLAKGLPPRSVLVKGCQTFLSAPREGLGRLRVPTGEGAGISTRSPRPFNEIPSPGDNGWLNLYHFWRETGTHKVHLHHVQNFQKYGPIYREKLGNVESVYVIDPEDVALLFKSEGPNPERFLIPPWVAYHQYYQRPIGVLLKKSAAWKKDRVALNQEVMAPEATKNFLPLLDAVSRDFVSVLHRRIKKAGSGNYSGDISDDLFRFAFESITNVIFGERQGMLEEVVNPEAQRFIDAIYQMFHTSVPMLNLPPDLFRLFRTKTWKDHVAAWDVIFSKADIYTQNFYWELRQKGSVHHDYRGILYRLLGDSKMSFEDIKANVTEMLAGGVDTTSMTLQWHLYEMARNLKVQDMLRAEVLAARHQAQGDMATMLQLVPLLKASIKETLRLHPISVTLQRYLVNDLVLRDYMIPAKTLVQVAIYALGREPTFFFDPENFDPTRWLSKDKNITYFRNLGFGWGVRQCLGRRIAELEMTIFLINMLENFRVEIQHLSDVGTTFNLILMPEKPISFTFWPFNQEATQQ,CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C>>,public_strict_iteration1_fulltrue_msa,,-0.9871627752948278,,s_a97380fe4bf1f95f9d7ca044,test
catpreddb_km_km_2d7640be659a82,catpred_iteration1_km,km,Q8I6T2,Q8I6T2,MGKHIRILKNQYLQFMSKRCIQSKAAFNICGKINVENPIVELDGDEMTRIIWKDIKEKLILPYVNLKIKYFDLSIENRDKTNDQVTIEAAEEIKKTSVGIKCATITPDAARVKEFNLKEMWKSPNGTIRNILDGTVFRTPILIKNIPKLVPNWKKPIVIGRHAYADQYKQKSLKIEKSGKFEIVFTPDDNSQVLRETVFHFKSPGVCLGMYNTEESIRNFALSCFQYALDLKMPVYMSTKSTILKIYDGLFKDIFDEIYEKQFKKSFEQHNLWYEHKLIDDMVAQVLKSEGGFLWACKNYDGDIQSDAVAQGYGSLGLMSSVLLCPDGVTCVSEAAHGTVTRHYRAYQKGEKTSTNPIASIFAWTKGLEHRAKLDKNDNLKQFCYALEKACIETVEDGLMSKDLAGCIKGIKNVTEKDYIFTQDLINAINEKLKLKILQNQSKNDPQATSYKLKNDNWNFYAPQEHST,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_b3ad33c11b0f353dcc833904,test
catpreddb_km_km_2d8240bb41f8c2,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3872161432802643,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_2d8fead389d567,catpred_iteration1_km,km,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2123978538176623,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_km_km_2d9eb37fe7e0e0,catpred_iteration1_km,km,Q7UXY8,Q7UXY8,MRYGDIQTYSPYADTNGFPPKSFGFEKSIDGTIGPVGTSISSSICIICTRCRYDDIRSNCFACGIGAGKTRLSTMEQVGMPDFYQHDMITTIHDLRSAKLDNLESMLRESTRNHDIGLVLPVTASDMRAEPFDVIVRELAQADYIASIVVSLGVAPDQSDYDETCAKIAPLGDRAKVLWTDGPEVQGLYNELIESGIDVSVPGKGRSVWTAFGYLLDDPDIETFVLHDCDIVDYDRQLLTRLCLPMVHPGLDFEFCKAYYARVTDRMHGRVVRLLVAPLLRALMQCFPENQFVRFLGNFRYPLSGEFSLTRNLARTNRVASDWGLEVGTLADVYRNTSHKRVCQVDLARLYEHKHQTLAVDQPSSGLIKMALDILTTIYRTLASQGIVFGESTFVTLRASFLRIAQDCIRQYAADARVNSLKYDRHSEEMAIEAFAQCVTQAGEIFAADPSGNPSIPNWTRVRAAFPDFTSRLRETVK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_0e9f9bd4c67d424b6b3f6b31,test
catpreddb_km_km_2dab3fd60687c2,catpred_iteration1_km,km,P46655,P46655,MPSTLTINGKAPIVAYAELIAARIVNALAPNSIAIKLVDDKKAPAAKLDDATEDVFNKITSKFAAIFDNGDKEQVAKWVNLAQKELVIKNFAKLSQSLETLDSQLNLRTFILGGLKYSAADVACWGALRSNGMCGSIIKNKVDVNVSRWYTLLEMDPIFGEAHDFLSKSLLELKKSANVGKKKETHKANFEIDLPDAKMGEVVTRFPPEPSGYLHIGHAKAALLNQYFAQAYKGKLIIRFDDTNPSKEKEEFQDSILEDLDLLGIKGDRITYSSDYFQEMYDYCVQMIKDGKAYCDDTPTEKMREERMDGVASARRDRSVEENLRIFTEEMKNGTEEGLKNCVRAKIDYKALNKTLRDPVIYRCNLTPHHRTGSTWKIYPTYDFCVPIVDAIEGVTHALRTIEYRDRNAQYDWMLQALRLRKVHIWDFARINFVRTLLSKRKLQWMVDKDLVGNWDDPRFPTVRGVRRRGMTVEGLRNFVLSQGPSRNVINLEWNLIWAFNKKVIDPIAPRHTAIVNPVKIHLEGSEAPQEPKIEMKPKHKKNPAVGEKKVIYYKDIVVDKDDADVINVDEEVTLMDWGNVIITKKNDDGSMVAKLNLEGDFKKTKHKLTWLADTKDVVPVDLVDFDHLITKDRLEEDESFEDFLTPQTEFHTDAIADLNVKDMKIGDIIQFERKGYYRLDALPKDGKPYVFFTIPDGKSVNKYGAKK,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.3010299956639813,,s_7e8fe33caeb9b1f23dfa4109,test
catpreddb_km_km_2daf4d5b9b91f0,catpred_iteration1_km,km,Q9I5F3,Q9I5F3,MSRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAVTEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFSVPSGLKAWIDQIVRLGVTFDFVLDNGVAQYRPLLRGKRALIVTSRGGHGFGPGGENQAMNHADPWLRTALGFIGIDEVTVVAAEGEESGGRSFEDSCDEAEQRLLALARSA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,0.0780941504064107,,s_b4a31a08446712d2d07ed420,test
catpreddb_km_km_2dc79962692624,catpred_iteration1_km,km,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_948648651b98b58a650dd2ca,test
catpreddb_km_km_2de52a7fb2dd2f,catpred_iteration1_km,km,E3VWI3,E3VWI3,MTDLPRLPFDNPDIMGIAPQMLALQKEGPIARVGTAGEDAWLVTRYDEVRTLLADRRLRLSNPNPQPSAKSAARAFMVALMAGDDHETEPARHAQMRSLLIPRFSTRRLRLMKTRIEHHVDELLDQLAASAPPVDLHRVLSFRLPTMVVCDLLGVPLADRERFGQWARGTFDQSDNEHSANTFQQVVDYMLELVARKRVEPGDDILSELIAEKDGALSDADIAHLGNAVLLFGYETTIVRIDLGTLLLLRNPVQRAQLAEDPGLAPAAVEEILRLGVGGKGSNALIPRYAHGDITVGETVIRTGDAVMLAIGAANYDDRAFPDGGLFDLTRVRPRSHLAFGHGARHCIGRTLARIELTAVFERLFRRLPDLRLAVPEESLRWQEHRITGGFDEIPVTF,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1>>,public_strict_iteration1_fulltrue_msa,,-0.9051145218265628,,s_242c6df08496db817aacd13d,test
catpreddb_km_km_2dec355b108ea6,catpred_iteration1_km,km,I6YDN6,I6YDN6,MTHSQRRDKLKAQIAASGLDAMLISDLINVRYLSGFSGSNGALLVFADERDAVLATDGRYRTQAASQAPDLEVAIERAVGRYLAGRAGEAGVGKLGFESHVVTVDGLDALAGALEGKNTELVRASGTVESLREVKDAGELALLRLACEAADAALTDLVARGGLRPGRTERQVSRELEALMLDHGADAVSFETIVAAGANSAIPHHRPTDAVLQVGDFVKIDFGALVAGYHSDMTRTFVLGKAADWQLEIYQLVAEAQQAGRQALLPGAELRGVDAAARQLIADAGYGEHFGHGLGHGVGLQIHEAPGIGVTSAGTLLAGSVVTVEPGVYLPGRGGVRIEDTLVVAGGTPKMPETAGQTPELLTRFPKELAIL,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(=O)O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(=O)O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9542425094393248,,s_5ea59b234100d6ac10dc0230,test
catpreddb_km_km_2df4b7dd89eb5b,catpred_iteration1_km,km,P36269,P36269,MARGYGATVSLVLLGLGLALAVIVLAVVLSRHQAPCGPQAFAHAAVAADSKVCSDIGRAILQQQGSPVDATIAALVCTSVVNPQSMGLGGGVIFTIYNVTTGKVEVINARETVPASHAPSLLDQCAQALPLGTGAQWIGVPGELRGYAEAHRRHGRLPWAQLFQPTIALLRGGHVVAPVLSRFLHNSILRPSLQASTLRQLFFNGTEPLRPQDPLPWPALATTLETVATEGVEVFYTGRLGQMLVEDIAKEGSQLTLQDLAKFQPEVVDALEVPLGDYTLYSPPPPAGGAILSFILNVLRGFNFSTESMARPEGRVNVYHHLVETLKFAKGQRWRLGDPRSHPKLQNASRDLLGETLAQLIRQQIDGRGDHQLSHYSLAEAWGHGTGTSHVSVLGEDGSAVAATSTINTPFGAMVYSPRTGIILNNELLDLCERCPRGSGTTPSPVSGDRVGGAPGRCWPPVPGERSPSSMVPSILINKAQGSKLVIGGAGGELIISAVAQAIMSKLWLGFDLRAAIAAPILHVNSKGCVEYEPNFSQEVQRGLQDRGQNQTQRPFFLNVVQAVSQEGACVYAVSDLRKSGEAAGY,N[C@@H](CCC(O)=N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSCc1ccc([N+](=O)[O-])cc1)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8297382846050425,,s_3e522460abccf995f0eab705,test
catpreddb_km_km_2e0118776adffa,catpred_iteration1_km,km,P80025,P80025,MWVCLQLPVFLASVTLFEVAASDTIAQAASTTTISDAVSKVKIQVNKAFLDSRTRLKTTLSSEAPTTQQLSEYFKHAKGRTRTAIRNGQVWEESLKRLRRDTTLTNVTDPSLDLTALSWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN,CC(=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CC(=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CC(=O)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12>>,public_strict_iteration1_fulltrue_msa,,0.3617278360175928,,s_075dddbe447157c6c5ffbc4d,test
catpreddb_km_km_2e0b3d7eab0245,catpred_iteration1_km,km,A0A2S1TYZ6,A0A2S1TYZ6,MERRFRPTPPRGTLYLFTNIIFNKMTKEYFSGIGKIKFEGKESKNPMAFHYYDAEKVVAGKKMKDWLRFAMAWWHTLCAEGADQFGGGTKTFPWNEGSDPIAIAKQKVDAGFEIMQKLGIPFYCFHDVDLVSEGNSVEEYESNLKQVVAYLKQKQEETGIKLLWSTANVFGHKRYMNGASTNPDFDVVARAIVQIKNAIDAGIELGASNYVFWGGREGYMSLLNTDQKREKEHMATMLTMARDYARSKGFKGTFLIEPKPMEPSKHQYDVDTETVIGFLKAHNLDKDFKVNIEVNHATLAGHTFEHELACAVDAGMLGSIDANRGDYQNGWDTDQFPIDQFELVQAWMEIIRNGGLGNGGTNFDAKTRRNSTDLEDIFIAHIAGMDAMARALESAAKLLEESPIKKMKAERYASFDSGIGKDFEDGKLTLEQVYEYGKKNGEPKQTSGKQELYEAIVAMYA,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.8187350078490248,,s_2be24db017b981507ded4e11,test
catpreddb_km_km_2e0d27b2b84b3d,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,OC1CCc2ccccc21,OC1CCc2ccccc21,OC1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_2e13640ce2fa3c,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.392578075976151,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_2e1614e9d822e8,catpred_iteration1_km,km,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.1522883443830564,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_km_km_2e1f4187706868,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_2e210a7d0afd61,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.00436480540245,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_2e4d913690230e,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.619788758288394,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_2e7205f4371474,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCCS,NCCS,NCCS>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_2e950d66a10541,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0705810742857071,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_2e9cd025ad0494,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-3.140608757688381,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_2ea1095c262761,catpred_iteration1_km,km,P76422,P76422,MKRINALTIAGTDPSGGAGIQADLKTFSALGAYGCSVITALVAQNTRGVQSVYRIEPDFVAAQLDSVFSDVRIDTTKIGMLAETDIVEAVAERLQRYQIQNVVLDTVMLAKSGDPLLSPSAVATLRSRLLPQVSLITPNLPEAAALLDAPHARTEQEMLEQGRSLLAMGCGAVLMKGGHLDDEQSPDWLFTREGEQRFTAPRIMTKNTHGTGCTLSAALAALRPRHTNWADTVQEAKSWLSSALAQADTLEVGHGIGPVHHFHAWW,Cc1ncc(COP(=O)(O)O)c(=N)[nH]1,Cc1ncc(COP(=O)(O)O)c(=N)[nH]1,Cc1ncc(COP(=O)(O)O)c(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.6345120151091,,s_4eeba747cc3fcec30cbea4f3,test
catpreddb_km_km_2eb7cdf8e89a64,catpred_iteration1_km,km,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0506099933550872,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_km_km_2ec6eb9dade26e,catpred_iteration1_km,km,C3SBW0,C3SBW0,METKQTKKEAVANLIKRIEHGEVSDEEIRGMMKIQVQKRLKWGYKPTHEQQLAQLVTFAQSLKGMEMAEEVDTLDAELYEIPLPFLHIMCGKTLKFSPGYFKDESTTLDESEVYMMDLYCERAQIKDGQSILDLGCGHGSLTLHVAQKYRGCKVTGITNSVSQKEFIMDQCKKLDLSNVEIILEDVTKFETEITYDRIFAVALIEHMKNYELFLKKVSTWIAQYGLLFVEHHCHKVFAYQYEPLDEDDWYTEYIFPSGTLVMSSSSILLYFQEDVSVVNHWTLSGKHPSLGFKQWLKRLDDNIDEVKEIFESFYGSKEKAMKFITYWRVFCIAHSQMYSTNNGEEWMLSQVLFKKK,COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC,COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC,COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc32)cc1OC>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_7a870cc35d7e02400d67e657,test
catpreddb_km_km_2ec862295fd30f,catpred_iteration1_km,km,P9WQA9,P9WQA9,MTPISQTPGLLAEAMVDLGAIEHNVRVLREHAGHAQLMAVVKADGYGHGATRVAQTALGAGAAELGVATVDEALALRADGITAPVLAWLHPPGIDFGPALLADVQVAVSSLRQLDELLHAVRRTGRTATVTVKVDTGLNRNGVGPAQFPAMLTALRQAMAEDAVRLRGLMSHMVYADKPDDSINDVQAQRFTAFLAQAREQGVRFEVAHLSNSSATMARPDLTFDLVRPGIAVYGLSPVPALGDMGLVPAMTVKCAVALVKSIRAGEGVSYGHTWIAPRDTNLALLPIGYADGVFRSLGGRLEVLINGRRCPGVGRICMDQFMVDLGPGPLDVAEGDEAILFGPGIRGEPTAQDWADLVGTIHYEVVTSPRGRITRTYREAENR,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_33fa7fb7e725a59567327012,test
catpreddb_km_km_2ecfba248c90da,catpred_iteration1_km,km,Q924Z4,Q924Z4,MLQTLYDYFWWERLWLPVNLTWADLEDKDGRVYAKASDLYITLPLALLFLVIRYFFELYVATPLAALLNVKEKTRLRAPPNATLEHFYQTSGKQPKQVEVDLLSRQSGLSGRQVERWFRRRRNQDRPSLLKKFREASWRFTYYLIAFVAGMAVTVDKPWFYDLRKVWEGYPIQSIIPSQYWYYMIELSFYWSLLFSIASDVKRKDFKEQIIHHVATIILLCFSWFANYVRAGTLIMALHDASDYLLESAKMFNYAGWKNTCNNLFIVFAIVFIITRLVIMPFWILHCTMIYPLELYPAFFGYYFFNFMMAVLQMLHIFWAYFILRMAHKFITGKLIEDERSDREETESSEGEETAAGAGAKSRLLANGHPILNNNHPKND,CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.232078355924997,,s_08d3907945866849831e5a64,test
catpreddb_km_km_2ed14f685dbc31,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_f28c949d1503440bae214094,test
catpreddb_km_km_2ed5d578d89d0f,catpred_iteration1_km,km,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,CC(C)[C@@H](N)C(=O)O,CC(C)[C@@H](N)C(=O)O,CC(C)[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2006594505464183,,s_d9fe73494ede26238d4e9e26,test
catpreddb_km_km_2eda93607132ef,catpred_iteration1_km,km,O28050,O28050,MMRQGGVMVGARKRWITDWWPNRLNLKILRQNLQNPYGEDYDYVEEVENLDIDAVIRDLKELMRSSQDWWPADFGHYGPLFIRLAWHSAGSYRIFDGRGGARDGSIRFPPRINWPDNINLDKAIRLLWPIKKKYGRKLSWADLIILAGTVAMEDMGVKLFGFALGREDIFEPDESPDWGPEEEMLTAKRGEKEELERPFAATEMGLIYVNPEGPGGNPDPLGSAQEIRVAFRRMGMNDEETVALIAGGHAFGKCHGAGPADYLGPDPSSSPIEMQGLGWKYNYGKGKGSDTFTSGLEVTWSPTPTKFGINYLRILFTYEWELEKSPAGKNQWVAKDAPEIIPDAHDPNKKHRPRMLTADLALRFDPEFSKIARRFLENPEEFEKAFAIAWYKLTHRDMGPKDCYIGKYVPEETFVWQDPLPRRDYELVDEKDVEELKRRILASGLSLSQLVYFAWASASTYRNSDRRGGANGARIRLKPMSVWEVNHPEELKKVIAAYEKIQQEFNEGAKGSEKRISIADLIVLGGIAAVEEAARRAGFSVKVPFIPGRVDAQQEHVDEEFYRVIEPFADGFRNYFRYPERINERDVYTTPEYFLVDKANLLTLTVPEMVVLIGGMRALGANYSHSDYGVLTERPGVLSNDFFVNLLDMSVEWRAADDYRYTFEGYDRKSGELRWRATRVDLILGHHDELRAVAEVYGCDDAKEKFVKDFAAVCAKVMHLDRFDLWRSNRKLYKEITAGLR,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,-0.0705810742857072,,s_aec70277f61e02808585e477,test
catpreddb_km_km_2edbf3758cdb71,catpred_iteration1_km,km,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.0942026891901986,,s_0424465e822fd7a94a631a04,test
catpreddb_km_km_2ee1f905f58002,catpred_iteration1_km,km,Q2BN77,Q2BN77,MSNTYSLVNPFDNSPLGEYEYTPWATLENQLAMLKEGQLSQRKTAAFQRAGVLNKLAALLKEHSEEMATLITQETGKTILDSRVEMMRAYNAAIASAEEARQIQGESLDSDAYAPAGGKIGVVCWKPLGTILCITPFNFPINIAIHKIGPAYAAGNTILFKPGPQNTASAQLLVKLCYEAGMPENTLQLCMPEFSDLDRLNAHPDVNAINFTGGTAAANAISAAAGYKKLLLELGGNDPLIVMDDGDLEAATTAAINHRFATAGQRCTAAKRLFIHANVYEAFRDLLVEKSSKLVVGDPMKDDTFVGPVINQGAADQIRTLIEQAIEDGASVALGNQYEGAFVYPTILENVSPTSEIMVEEAFGPVMPLYKFESVEEIIPIINNTAYGLQAGVFSQNLATIKELYEQLDVGTLAANDGPGFRTEHFPFGGVKESGIGREGIKYAIREMSYTKTLVI,O=CCS(=O)(=O)O,O=CCS(=O)(=O)O,O=CCS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3098039199714864,,s_24ad5faa75eb0d1e815ab19b,test
catpreddb_km_km_2f1792028c83f1,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCC1CCCCC1,NCC1CCCCC1,NCC1CCCCC1>>,public_strict_iteration1_fulltrue_msa,,1.2174839442139065,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_2f1c3965e6d362,catpred_iteration1_km,km,O15769,O15769,MRTSATLQFKVAVLGAAGGIGQPLSLILKTNPLVSHLSCYDIHGVTGVAADLSHICSPAKVTGHLKDELHKAVDGADVVIIPAGTPRKPGMTREDLFSVNATIVRDLVSACAKQCPKALIGVVSNPVNSVVPIASEVLKKAGVFDPARLFGITTLDVVRARTFVAEAAGKSPYDVNVQVVGGHSGPTIIPLLSQAGVSLTEEQVKAITHRVQYGGDEVVKAKGGAGSATLSMAYAAGEWMSSVLKGLRGDKGIVECTYVQTDIIPGVNFFGCPVELGKGGVEKIHKPVFDAYEQSLLEKCVADLEKNIAAGFAFGSRQ,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0913784655201996,,s_0b8c8ce9ee94a7781b0d33c5,test
catpreddb_km_km_2f2d19ed74a4e6,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_2f5509658dfb45,catpred_iteration1_km,km,A0A0M3VI47,A0A0M3VI47,MFSRPFVTPVTIDLQVKSITAGNMWEGLGFYKPANSKSNQMICSKGFRLNCSIDREMIVITKALVDSIAERSSETYEPGLSTVVMNFENEFDPYEAVSTPIYQTATFKQPSATVNGPYDYTRSGNPTRDALERLLAKLDKADRAFCFGSGMAALSAVSQLFENGDEIIAGDDIYGGSDRLLSSVIPRTGVVVKRVNTSDLEEVASAFGPATKLVWLESPTNPRLQISDIGKIAEMAHARGVLVLVDNSIMSPVLCQPLELGADIVMHSATKFIGGHSYIMAGVIAVKGERLAKEMYFLQNAVGSGLAPFDCWLCLQGIKTMELRVEKQQKSAQKIAEFLAFHPRVKKVNYAGLPGHPGRDLHYSQAKGAGSVLSFLTGSLALSKHVVESTKYFSITVSFGSVKSLISMPCFMSHASIPVAVREARGLTEDLVRISVGIENVDDLIADLDQALSSGPL,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_6492d1c4ea2307355bc8c52b,test
catpreddb_km_km_2f64e8105efec6,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,CCC(=O)C(=O)[O-],CCC(=O)C(=O)[O-],CCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.0873738961678892,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_2f665ae0d9a54f,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,O=C(CO)C(O)CO,O=C(CO)C(O)CO,O=C(CO)C(O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_2f6d73b3b3706a,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_2f6d93a7bea1a8,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,O=C(O)C(=O)C(=O)O,O=C(O)C(=O)C(=O)O,O=C(O)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7355988996981799,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_2f8227e6391c58,catpred_iteration1_km,km,Q9UVQ2,Q9UVQ2,MSRFQSLFFFVLVSLTAVANAAIGPVADLTLTNAQVSPDGFAREAVVVNGITPAPLITGNKGDRFQLNVIDQLTNHTMLKTSSIHWHGFFQQGTNWADGPAFVNQCPIASGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPHASLYDIDNDDTVITLADWYHVAAKLGPRFPFGSDSTLINGLGRTTGIAPSDLAVIKVTQGKRYRFRLVSLSCDPNHTFSIDNHTMTIIEADSINTQPLEVDSIQIFAAQRYSFVLDASQPVDNYWIRANPAFGNTGFAGGINSAILRYDGAPEIEPTSVQTTPTKPLNEVDLHPLSPMPVPGSPEPGGVDKPLNLVFNFNGTNFFINDHTFVPPSVPVLLQILSGAQAAQDLVPEGSVFVLPSNSSIEISFPATANAPGFPHPFHLHGHAFAVVRSAGSSVYNYDNPIFRDVVSTGQPGDNVTIRFETNNPGPWFLHCHIDFHLDAGFAVVMAEDTPDTKAANPVPQAWSDLCPIYDALDPSDL,COc1cc(/C=C/C(=O)O)cc(OC)c1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.478318860989435,,s_d45fcdab7810d2b63f6ed638,test
catpreddb_km_km_2fa436d38a0716,catpred_iteration1_km,km,I6YDN6,I6YDN6,MTHSQRRDKLKAQIAASGLDAMLISDLINVRYLSGFSGSNGALLVFADERDAVLATDGRYRTQAASQAPDLEVAIERAVGRYLAGRAGEAGVGKLGFESHVVTVDGLDALAGALEGKNTELVRASGTVESLREVKDAGELALLRLACEAADAALTDLVARGGLRPGRTERQVSRELEALMLDHGADAVSFETIVAAGANSAIPHHRPTDAVLQVGDFVKIDFGALVAGYHSDMTRTFVLGKAADWQLEIYQLVAEAQQAGRQALLPGAELRGVDAAARQLIADAGYGEHFGHGLGHGVGLQIHEAPGIGVTSAGTLLAGSVVTVEPGVYLPGRGGVRIEDTLVVAGGTPKMPETAGQTPELLTRFPKELAIL,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7993405494535817,,s_5ea59b234100d6ac10dc0230,test
catpreddb_km_km_2fc9ba3b035058,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,O[C@@H]1CCCc2ccccc21,O[C@@H]1CCCc2ccccc21,O[C@@H]1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.0222763947111522,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_2fe25104f50dc7,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_2ff6ce6c8409ad,catpred_iteration1_km,km,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO>>,public_strict_iteration1_fulltrue_msa,,-1.5816987086802543,,s_d02e45ef02098b997a7f78aa,test
catpreddb_km_km_30037e12070c72,catpred_iteration1_km,km,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_156ab3956782e3458257c298,test
catpreddb_km_km_302888de781a29,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_303218ccbc73a7,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)C(=O)C[C@H](O)[C@H](O)CO,O=C(O)C(=O)C[C@H](O)[C@H](O)CO,O=C(O)C(=O)C[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.1139433523068367,,s_27293a9716281920c2a47964,test
catpreddb_km_km_3042a4e230572b,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCc1cnc[nH]1,NCCc1cnc[nH]1,NCCc1cnc[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_304886fa782511,catpred_iteration1_km,km,A0A165APY9,A0A165APY9,MKISIVIPVYNSEDLISECLDSLVNQTMPKEDYEIICVDDKSTDSSLDILNRYKKKYDNIVVVERTVNSGGPGAPRNDAIKIAKGEYILFVDSDDYLGNEALLRWYNFSKENDSDITLGKLKGINGRGVPKSMFKETNPDVDLVDSKIVFTLGPQKLFKASLLKENQIIFPTHIKAAEDQVFTMNAYLKAKKISVSADYDYYYLVKRDGEHMSVAYVPPENFYGAMEDIISAIKASDLEEARKTKLMAVFLNRHFDFSRTKNVTIKMKTDEERAEWFKYLSSFIHAVPEEADQFVLPHIKLRLLFIRNNDLQGLTQYEREEQDIKKFCVVNNGDLIARYPSLERYPISEELLKVNYKNKLEHYLQNIEFSDHSLSIQGTIKHKLLDDETNQNQSLTGVFVHRDTKAEKYIAPAKYENSTFTFECKFDELASAEEDLGVWDFFIESSIDGYKLRARIGNKRAAYKYSTNTMYLGHNALFVFSARPYFTMNYDNLSIDIKKHAYTEAELSYETESKDLSFIFKDKQICLPNHSKMIVNTGQSEISLPVKRIELEPNCTKLTVNVQSLLEQLAHVKKERLIEFAINTSQNKISAKVDNQAIVLDTRNVERKSMLFFSKMVEVQYKLLTSKSKFYFQY,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_8a886a611950c4b035baaae9,test
catpreddb_km_km_306a847b94a759,catpred_iteration1_km,km,D4GR05,D4GR05,MTAELVTFGETMIRLSPPEGERIETARSLEFRTAGAESNVAVAASRLGCSAAWLSKLPDSPLGRRVTTELRTHGVEPYVRWDDDARQGAYYIEQGRAPRPTNVIYDRADAAVTTARPDELAVDIVEDAAAFYTSGITPALSETLRETTGELLQTATEAGTTTAFDLNYRSKLWSPSDARDACESLFPKVDVLVAAERDIRAVLELDGDAPTLASELAGDFDFETVVVTRGEDGALARHGGTVYEQPVFETDTVDAIGTGDAFVGAFLSRLIAGEPVETALAYGAATAALKRTVHGDLAVVTPDEVERVLRGGDAGIDR,O=C(O)C(=O)C[C@H](O)[C@H](O)CO,O=C(O)C(=O)C[C@H](O)[C@H](O)CO,O=C(O)C(=O)C[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.9444826721501688,,s_23723ed579b05be4546284e4,test
catpreddb_km_km_30798a15279e2f,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1>>,public_strict_iteration1_fulltrue_msa,,-1.596879478824182,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_3080971ad78146,catpred_iteration1_km,km,P9WJM1,P9WJM1,MAERFVVTGGNRLSGEVAVGGAKNSVLKLMAATLLAEGTSTITNCPDILDVPLMAEVLRGLGATVELDGDVARITAPDEPKYDADFAAVRQFRASVCVLGPLVGRCKRARVALPGGDAIGSRPLDMHQAGLRQLGAHCNIEHGCVVARAETLRGAEIQLEFPSVGATENILMAAVVAEGVTTIHNAAREPDVVDLCTMLNQMGAQVEGAGSPTMTITGVPRLHPTEHRVIGDRIVAATWGIAAAMTRGDISVAGVDPAHLQLVLHKLHDAGATVTQTDASFRVTQYERPKAVNVATLPFPGFPTDLQPMAIALASIADGTSMITENVFEARFRFVEEMIRLGADARTDGHHAVVRGLPQLSSAPVWCSDIRAGAGLVLAGLVADGDTEVHDVFHIDRGYPLFVENLVSLGAEIERVCC,CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O,CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O,CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3113299523037932,,s_6024f687e092c2ed6165f096,test
catpreddb_km_km_308c9fcc4481bb,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO>>,public_strict_iteration1_fulltrue_msa,,-2.3872161432802645,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_30b01107176de2,catpred_iteration1_km,km,Q8VCN5,Q8VCN5,MQKDASLSGFLPSFQHFATQAIHVGQEPEQWNSRAVVLPISLATTFKQDFPGQSSGFEYSRSGNPTRNCLEKAVAALDGAKHSLAFASGLAATITITHLLKAGDEIICMDEVYGGTNRYFRRVASEFGLKISFVDCSKTKLLEAAITPQTKLVWIETPTNPTLKLADIGACAQIVHKRGDIILVVDNTFMSAYFQRPLALGADICMCSATKYMNGHSDVVMGLVSVNSDDLNSRLRFLQNSLGAVPSPFDCYLCCRGLKTLQVRMEKHFKNGMAVARFLETNPRVEKVVYPGLPSHPQHELAKRQCSGCPGMVSFYIKGALQHAKAFLKNLKLFTLAESLGGYESLAELPAIMTHASVPEKDRATLGINDTLIRLSVGLEDEQDLLEDLDRALKAAHP,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O,N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_1888180eaa5024d831ca8849,test
catpreddb_km_km_30c440de690c0c,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,CC1CNc2[nH]c(=N)nc(O)c2N1,CC1CNc2[nH]c(=N)nc(O)c2N1,CC1CNc2[nH]c(=N)nc(O)c2N1>>,public_strict_iteration1_fulltrue_msa,,-1.451544993495972,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_30d05ab94e055d,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.886056647693164,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_30f4e5bc9212f2,catpred_iteration1_km,km,Q9BKL3,Q9BKL3,MSANNVKPFTVFVEGNIGSGKTTFLEHFRQFEDITLLTEPVEMWRDLKGCNLLELMYKDPEKWAMTFQSYVSLTMLDMHRRPAPTPVKLMERSLFSARYCFVEHIMRNNTLHPAQFAVLDEWFRFIQHNIPIDADLIVYLKTSPSIVYQRIKKRARSEEQCVPLSYIEELHRLHEDWLINRIHAECPAPVLVLDADLDLSQITDEYKRSEHQILRKAVNVVMSSPNKHSPKKPISTTPIKITPHMRIL,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-2.214670164989233,,s_5ad77e9ef5727a1c2da6bd8c,test
catpreddb_km_km_31061dfd0ef012,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_3125a1d887c725,catpred_iteration1_km,km,A0A837K328,A0A837K328,MKVTFAQLKEAFNRVLLSRGIAAETADACAEMFARTTESGVYSHGVNRFPRFIQQLDNGDIIPDAKPQRVTSLGAIEQWDAQRSIGNLTAKKMMDRAIELASDHGIGLVALRNANHWMRGGSYGWQAAEKGYIGICWTNSIAVMPPWGAKECRIGTNPLIVAIPSTPITMVDMSMSMFSYGMLEVNRLAGRTLPVDGGFDDEGNLTKEPGVIEKNRRILPMGYWKGSGLSIVLDMIATLLSNGSSVAEVTQDNSDEYGVSQFFIAIEVDKLIDGKTRDAKLQRIMDFITTAERADENVAVRLPGHEFTRLLEENRRNGITVDDSVWAKIQAL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_4e608b57eb129d0c5473f2a8,test
catpreddb_km_km_3146459494e29b,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](CO)O3)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.8996294548824371,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_3161c8aeab34e1,catpred_iteration1_km,km,G7J2E9,G7J2E9,MSSSSKSLKIGIVGFGTFGQFLANTMIKQGHTLTATSRTDYSQLCDQMGIHFFRDITAFLDADMDVILLCTSISSLSEVVGSMPLACLKRPTLFVDVLSVKEHPKNLLLKVLPEESDILCTHPMFGPVSGKNGWQNLTFMFDKVRIKDEVTCSKFLQIFASEGCKMVEMSCEEHDKAAAKSQFITHTIGRTLAEMDIKSTPIDTKGFQTLVELKKPVMGCSFDLYSGLFVYNRFARQELENLEHALHKVKEMLVQRIDEGQNPERTES,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-0.6516951369518393,,s_c03ce9b8d1982c7525766374,test
catpreddb_km_km_3181f40275d6fa,catpred_iteration1_km,km,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.6439741428068773,,s_156ab3956782e3458257c298,test
catpreddb_km_km_319fff63eedf4c,catpred_iteration1_km,km,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,COc1cc(/C=C/C(=O)O)ccc1O,COc1cc(/C=C/C(=O)O)ccc1O,COc1cc(/C=C/C(=O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-2.2676062401770314,,s_b7052409576ea9e57f9adba3,test
catpreddb_km_km_31d495c23fe555,catpred_iteration1_km,km,A0A168S2H6,A0A168S2H6,MTLSSVPLATSDIQIPEGARRNSTLICVPIMADSVDQMLGQIRKAKEVGGDLVEIRLDYLKNFSPRQDLQFLVKQSPLPTLVTYRPTWEGGQYDGDEGKRLDALRLAIELGADYIDVELQVAPEFINSIQGKTSGKVKIIVSSHNYQNTPSAEELGNLVARIQATGADIVKIATTALDITDCARIFQVLAHSQVPTIGIAMAERGLISRILSAKFGSYLTFGSLEAGVVSAPGQPTVKDLLDLYNFRQIGPDTKVHGVIGKPIGHSKSPHLYNSAFKSVGFNGIYLPLLVDSVKNFLATYSSPDFVGYSYTIPHKEDGLRCCDEIDPIAQAIGAISCMIRRPADGKLMGYNVDYLGAIAAIEEGLRASNGTTSVGSPLAGKLFVVIGAGGAGKALAYGGKEKGARVVVANRTFEKAKELASKVGGEAMTLAELENFHPEDGMILANTTSVGMKPNIDNTPLSKKALSRYSLVFDAIYTPKLTRLLREAQESGAIIVYGTEMFINQAFVQFERFTGLPAPKELIREVLVRNT,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.269217724333611,,s_df020c31aa268a93cfbe76f2,test
catpreddb_km_km_31d950bbe29695,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,Cc1onc(-c2ccccc2Cl)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,Cc1onc(-c2ccccc2Cl)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,Cc1onc(-c2ccccc2Cl)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_31e17eceaa2f22,catpred_iteration1_km,km,P50389,P50389,MNPVHILAKKGEVAERVLVVGDPGRARLLSTLLQNPKLTNENRGFLVYTGKYNGETVSIATHGIGGPSIAIVLEELAMLGANVFIRYGTTGALVPYINLGEYIIVTGASYNQGGLFYQYLRDNACVASTPDFELTNKLVTSFSKRNLKYYVGNVFSSDAFYAEDEEFVKKWSSRGNIAVEMECATLFTLSKVKGWKSATVLVVSDNLAKGGIWITKEELEKSVMDGAKAVLDTLTS,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9065924377762729,,s_e85a1e076059a8810584cbd3,test
catpreddb_km_km_3221dc39c65983,catpred_iteration1_km,km,Q1PCB1,Q1PCB1,MSQDDTPRVLSIQSHVVHGYVGNKSAVFPLQVLGFEVDSINTVQFSTHTAYKHIKGYVLNNDQMKELVEGLVLNEVDYYTHFLTGYSRSPDSLREIAKIIKQLREKNPNLIYVCDPVMGDNGKMYVPEEILPVYRDVLVPLADILTPNQFEAELITGIPMKDLDGALRVIQRLHDMGVKTVVLSSTDLGDEENMIGLASTGGSCYKIPIPKVEATFTGTGDLFAALFLAWSHLTGNDVKLALEKTIATLQSIVVDTYQTARASHLTGKIPPRFTELRLVQNKTVIEDPKIKLKAVKIN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2373214362725635,,s_e4df4f79e9904a90c075dd02,test
catpreddb_km_km_3231b2b8667745,catpred_iteration1_km,km,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCC(O)CC(=O)O,CCCCCC(O)CC(=O)O,CCCCCC(O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.30941722577814,,s_7c84c2d6fea9905641654dda,test
catpreddb_km_km_3238b4cf8afd3c,catpred_iteration1_km,km,Q5V676,Q5V676,MFLYLYSIFGNCFHPITRPGGCDRRHENGFPQPTRNGSMRAAIYRGPGDITVEEVPRPEIESPTDAIVRVTHTAVCGSDLWFYRGQSDREEGSRVGHEPMGIVEEVGDDVRSVEPGDRVFAPFVVSCGRCEFCRKGLHTSCVNGDSWGGDNGGGQGEYVRATEADGTLVRVPDRHADDEDTLEAILPLTDVMGTGHHAAVSAGVSEGDTCIVVGDGAVGLCGVLAARRLGAERIIAMGHHEDRLELAESFGATETVAARGQDAVDAADDLTNGGANHVLECVGAASAMETAIDVCRPGGTVGYVGVPHGLDDSGLDMFSLFGDNIGLNGGIAPVRAYADELLADVLQGTLDPSPIFTKTVDLNGVPEGYQAMDEREAIKVLVKL,CC=O,CC=O,CC=O>>,public_strict_iteration1_fulltrue_msa,,0.7075701760979364,,s_39557efc97d3e38125bd4282,test
catpreddb_km_km_3244cd41a87994,catpred_iteration1_km,km,P14646,P14646,MKKSRSVMAVTADDNLKDYFECSLSKSYSSSSYTLGIDLWRGRRCCSGNLQLPPLSQRQSERARTPEGDGISRPTTLPLTTLPSIAITTVSQECFDVENGPSPGRSPLDPQASSSSGLVLHAAFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRIVRNNFTLLTNLHGAPNKRSPAASQAPVTRVSLQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFKISSDTFVTYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFQNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDERSRDCQGLMEKFQFELTLEEEDSEGPEKEGEGPNYFSSTKTLCVIDPENRDSLEETDIDIATEDKSLIDT,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.2676062401770314,,s_c941d116826ca7cadacd5e7d,test
catpreddb_km_km_324af99bac77d2,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,OC[C@H]1OC(O)(CN2CCOCC2)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CN2CCOCC2)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CN2CCOCC2)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.6720978579357175,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_324b4904b29004,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_325d109abf6faa,catpred_iteration1_km,km,F9FRH4,F9FRH4,MVALLIFLGIFTCVETLPLSDSPSSYIPEEVPSSQTADIGLPPPTEFTLPNEDDEILIRKLNIQKTRKEILYGPSLIGKTSFFISGPLGDQISQRDQTLWSRDAAPVVQAVSHDAAAALHDIQIHGGLQNLDDYKILYQGHWSSSVPGGIAKGQFSNFTSDLLFSMERLSTNPYILRRLHPHADELPFAVDSKIVQKLTGSTLPSLHKAGRLFLADHSYQKDYVAQEGRYAAACQALFYLDDRCHQFLPLAIKTNVGSNLTYTPLDEPNDWLLAKVMFNVNDLFHGQMYHLASTHAVAEIVHLAALRTMSSRHPVLALLQRLMYQAYAIRPIGNNILFNPGGLIDQNSVFSNVAVRKFATDFYPTVAGPVRSNYFEANLRSRGLLNATHGPDLPHFPFYEDGARIIKVIRTFIQSFVKSIYKSDKVLAKDWELQAWIAEANGAAEVIDFPPTPLKKRKHLVDILTHMAWLTGVSHHVLNQGEPVTTSGVLPLHPGSLYAPVPGEKGVVDSLLPWLPNEQKSVDQISFLALFNRPQIVENNRTLRYMFNSESLLAGTVRAVAAANERFMEEMGHISQEISNRKFDDDGLSQGMPFIWTGMDPGVIPFYLSV,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_0442306892007a90f6d96c43,test
catpreddb_km_km_325f7b3a34867f,catpred_iteration1_km,km,Q9L555,Q9L555,MKVLFTTFAAKSHMHAQVPLAWALQTAGHEVRIASQPDLAEDITRTGLTAVCVGEPLLLEEQMQRVNEGLGDDAEIMESQAEAGMDMTETRPEMLTWDHVLGVFTSMTAMAFQNSCPERMIDDVVAFAREWQPDLIVWDTLSFAGPVAAQVTGAAHARLLFGLDLLGRMRETFLDLQEERLPEQRDDPLREWLTWTLGRYGAEFEEEVAVGQWTVDPVPPSMRFPVKQPFVPLRYIPYNGQAVIPDWLHEPPKKRRVCLTLGVAHREVLDGDRASIGELVEALAELDVEVVATLNEKQLAGMELPDNVRAVDFVPLNALLPTCSAVIHHGGSGTFQTALAHGVPQLIVPDMVWDTIHKAKQLERFGAGLYLHDVDNYTAQDLRDHLLRLLEEPSFAENCARIRREMVGTPSPNDIVPLLEKLTAEHRRDRGARGTVRGEQ,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3C[C@H](O)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.5510053905831773,,s_97ef0c32eac98fa1480a9b5a,test
catpreddb_km_km_3265d9533627c6,catpred_iteration1_km,km,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCC=O,CCCCCC=O,CCCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.0315170514460648,,s_b4b031ed943af76041b4fd24,test
catpreddb_km_km_327bc2e4cbaf6c,catpred_iteration1_km,km,Q9SXL5,Q9SXL5,MIGSKINAPRASMASRAAAPLRAAARPVRRLAVAPMAKASAATLAECQAECAALVKKASCAPILVRLAWHDSGNYDATTKTGGANGSIRFDPEMKHGGNAGLPLAVKLLEPIKKKFPDVGYADLFQMASATAIEVSGGPKIDMKYGRVDAADESAVPPEGRLPSAGAPFQEAQGPEPAKEAKDQSPQGHLRRVFGRMGLSDQDIVALSGAHTLGRAFKNRSGAAPLESTKFTKDGPGTKGGQSWTEEWLKFDNRYFTMLLEAEAGTCDPELLQLATDNALLTDPAFRPLVEKYAKDNAAFCADYAAAHKRLSELGSTFE,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_e3e2d8bd28de50924fdbddb0,test
catpreddb_km_km_327e8f570bba97,catpred_iteration1_km,km,G8XUN7,G8XUN7,MNTRIPPGPGAVPMPSRRLFVQGLAAGGVVAGIAAVGVPQRALAAATAAPRLAGAPAVLSDTRIELAIGESLANFTGRTRPAITVNGSLPAPILRWREGQTVDLFVRNTLERHPTSIHWHGILLPANMDGVPGLSFNGIGPGETYHYHFELKQSGTYWYHSHSMFQEQAGLYGALIIDPAEPAPYHHDREHVILLSDWTDMDPGALFRRMKKLAEHDNYYKRTLPDFLRDVKRDGWSAALSDRGMWGRMRMTPTDISDINAHTYTYLMNGTAPAGNWTGLFRSGEKVLLRFINGASMTYFDVRIPGLKMTVVAADGQYIHPVSIDEFRIAPAETYDVLVEPTGQDAFTIFCQDMGRTGFAAGTLAVRHGLQAPIPAPDPRPLLTMSDMGHDMGSGGHGGHDMAAMKGMEGGCGASMGHDGDTASRAPKHPASERNNPLVDMQSSATEPKLDDPGIGLRDNGRQVLTYGAMRSLFEDPDGREPSREIELHLTGHMEKFSWSFDGIPFASAEPLRLNYGERMRIVLVNDTMMQHPIHLHGVWSDLENAQGEFQLRKHTIDMPPGTRRSYRVRADALGRWAYHCHLLYHMEAGMMREVRIEE,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,0.3521825181113625,,s_d5955ff5ac396c6fbc4cd205,test
catpreddb_km_km_32a63c030e1ff0,catpred_iteration1_km,km,E2JA31,E2JA31,MSILNNKEVIVIIDAWSGGKHLIPAFQALGYFCLHVQSTFLPEVFIADNQLAIARSDRHIVHDGNIETLLSQLQPYTIKAILAGSEGAVGLADCLNDALELTFSNQFELSAARRNKYLMQEQLALKGVASINQQLAGHSDELKQWLAGHAHWPVVLKPIQSAGTDGVFICHDLAQALQAFEAILAKKDFFGSPNREVLCQEFLAGEEFVVNGIACQGEYFFTELWQSKKQQRNGFPVYETQYLHYQNDAGFDVLTAYTVQVCQTLGINNGAFHAEVMMTSGGPVLIEIGARVAGGADPYIIEECLGHSQISKLAQAVLHPAKFLQECRRQHDFSGHRRAAYVYMISPSPGRVQVSPEEKFIKIDGVISINYHYAPGDIQQETCDLLSSPGVIIAIRDNPALLKQTIAEIRDVEADFYHLGLIDE,CC(C)[C@H](N)C(=O)O,CC(C)[C@H](N)C(=O)O,CC(C)[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.585026652029182,,s_dd231b207901506b1bef7a84,test
catpreddb_km_km_32a80e3b696d5f,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=O,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=O,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=O>>,public_strict_iteration1_fulltrue_msa,,-2.721246399047171,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_32b62cf353626f,catpred_iteration1_km,km,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,O=C1C=CCCC1,O=C1C=CCCC1,O=C1C=CCCC1>>,public_strict_iteration1_fulltrue_msa,,-0.7304870557820837,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_km_km_32ccf1674e82e3,catpred_iteration1_km,km,Q9RUW4,Q9RUW4,MTKDGGKKDNQGQDKKAQQYGVTPQSVDFNDWYNEVVKKADLADNSPVAGAMVVRPYGSALWENIQRWLDDRFKASGHESLIFPTLIPMNFIMKEADHVEGFAPELFTVNKIGTEELAEPYVMRPTSETIIGHMWSGWLNSYRDLPFLHYQWGSVFRAELRTKAFLRTSEFFWHEGHTAHADEAEARAEVRQQLDLYHEFCRDVLALPVVRGEKTASERFAGAVATYSIEGMMRDGKALQSGTSHYLGQNFSRAFDVKYQTREQKEEFAHTTSWAISSRIIGAIIMTHGDDSGLMMPPRIAPIQVVVIPVGRKDNFDQMVQEGEKLAAELRAQGLRVKVDGRDGVTNGFKYNDWELKGVPVRIELGPRDLESGVLVVKNRHSEDKETLPRAEAVSGMSARLDTIHDFLMKRATDFLLANTAEVDSYDAFQREIEAGHWVRAYHCGEPACEKSIKEDTKATARNVPFDDAEFFAERGEGQCVKCGQPSAYGKRVLFGRQY,O=C(O)C1CCCN1,O=C(O)C1CCCN1,O=C(O)C1CCCN1>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_256f6a2c0d92d0ccb7648ae5,test
catpreddb_km_km_32e56ed027c9ac,catpred_iteration1_km,km,Q9FUY7,Q9FUY7,MMMKISFNTCFQILLGFIVFIASITLLGRIFSRPSKTKDRCRQLPPGRPGWPILGNLPELIMTRPRSKYFHLAMKELKTDIACFNFAGTHTITINSDEIAREAFRERDADLADRPQLSIVESIGDNYKTMGTSSYGEHFMKMKKVITTEIMSVKTLNMLEAARTIEADNLIAYIHSMYQRSETVDVRELSRVYGYAVTMRMLFGRRHVTKENMFSDDGRLGKAEKHHLEVIFNTLNCLPGFSPVDYVDRWLGGWNIDGEEERAKVNVNLVRSYNNPIIDERVEIWREKGGKAAVEDWLDTFITLKDQNGNYLVTPDEIKAQCVEFCIAAIDNPANNMEWTLGEMLKNPEILRKALKELDEVVGKDRLVQESDIRNLNYLKACCRETFRIHPSAHYVPPHVARQDTTLGGYFIPKGSHIHVCRPGLGRNPKIWKDPLAYEPERHLQGDGITKEVTLVETEMRFVSFSTGRRGCVGVKVGTIMMAMMLARFLQGFNWKLHRDFGPLSLEEDDASLLMAKPLLLSVEPRLASNLYPKFRP,CSCCCCCCCC[C@H](N)C(=O)O,CSCCCCCCCC[C@H](N)C(=O)O,CSCCCCCCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_288feb46e99335d506565a69,test
catpreddb_km_km_32ef37f6d37563,catpred_iteration1_km,km,P0C1A2,P0C1A2,MMNKASGRSFTRSSKYLLATLIAGMMASGVSAAELVSDKALESAPTVGWASQNGFTTGGAAATSDNIYIVTNISEFTSALSAGAEAKIIQIKGTIDISGGTPYTDFADQKARSQINIPANTTVIGLGTDAKFINGSLIIDGTDGTNNVIIRNVYIQTPIDVEPHYEKGDGWNAEWDAMNITNGAHHVWIDHVTISDGNFTDDMYTTKDGETYVQHDGALDIKRGSDYVTISNSLIDQHDKTMLIGHNDTNSAQDKGKLHVTLFNNVFNRVTERAPRVRYGSIHSFNNVFKGDAKDPVYRYQYSFGIGTSGSVLSEGNSFTIANLSASKACKVVKKFNGSIFSDNGSVLNGSAVDLSGCGFSAYTSKIPYIYDVQPMTTELAQSITDNAGSGKL,O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_44a89191c052cc39e89096e1,test
catpreddb_km_km_32fa324005861e,catpred_iteration1_km,km,A0A0M3KL23,A0A0M3KL23,MNAYLSDQPVRLSPLRDEQGNQPRFGLLLEPGRPGMHVGELPAQWLKGLARSHHLLLLRGFAAFADAESLTRYCHDFGEVMLWPFGAVLELVEQEGAEDHIFANNYVPLHWDGMYLETVPEFQVFHCVDAPGDSDGGRTTFSSTPAALQLADSSELELWRRASGRYQRSAAHYSSRSAAPIVERHPRREFPILRFCEPPVEGDASFINPSEFHYDGIAPEQRGELLASLRRCLYHPQAHYAHRWRSDDLVIADNLTLLHGREAFAHRAPRHLRRVHIHAEPALRNPHLQRD,[C-]#[N+][C@@H](Cc1ccc(O)cc1)C(=O)O,[C-]#[N+][C@@H](Cc1ccc(O)cc1)C(=O)O,[C-]#[N+][C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.031517051446065,,s_ab070c64525a084a7b684905,test
catpreddb_km_km_3310689d6aab7a,catpred_iteration1_km,km,A0A4E0RL35,A0A4E0RL35,MDQRRFERRSTMMIPGMEGKYVARGQFEGKSIAVFTSGGDAQGMNAAVRAVVRMGIYCGCRVYFIKEGYQGLVDGEQSIVEAGWADVSSMIQRKRAFRTYRPSPHPFTHHFLSFKTERIRPEQAAMCSHLNIVGLVGSIDNDFCGTDMTIGADSALHRIIEATDAITTTALSHQRCFILEVMGRHCGYLALVASMACEADWVFIPELPPADDWREKLCKKLRRDREAGQRLSIIMVAEGAIDRQCRPISCEEIRKLIVSELGFDTRITVLGHVQRGGRPSAFDRILGSRMGAEAVLALMDADRNRDLPACVISLDGNQAVRVPLVRCVEKTRMVGEALKARQFDRAVELRGTSFMGNLWTYLKLSKIERPRNSEAEHNMRVGVMNVGAPSCGVNAVIRSFARLGITKGYSIMGIHEGFHGLVNDDLSRIDWQDVRGWVSMGGSTLGTRRDKPSELGLNLVASKFRQHQLCGLLVVGGFEAYECMIELAENRDKYPEFCIPMVMVPATISNNVPGSDFSLGADTALNEITTILDKIKQSAMGTKRRVFVVETMGGYCGYLATMSGLAGGADAAYIYEEPFTIDDLRQDVVHLRAKIADNVQRGLVLRAEFASKNYTTQFIHQLYAEEGKGIFDCRYNVLGHMQQGNEPSPFDRNLGTKFGSKAIDWLHEQINLGLRPDGSVYCPDSASCTLLGVIRQNSTFSEVLKLRENTDFKHRLPREEWWLNLRPLMRIMAKHDSLYESESIFTGPEKTLH,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5501852725587815,,s_b37b77f90b490791bf912242,test
catpreddb_km_km_3337e50949596a,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NCCC[C@H](N)C(=N)O,N=C(N)NCCC[C@H](N)C(=N)O,N=C(N)NCCC[C@H](N)C(=N)O>>,public_strict_iteration1_fulltrue_msa,,1.0934216851622351,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_333d7ceae9bf92,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,N[C@@H](Cc1ccccc1)C(O)=Nc1ccc2ccccc2c1,N[C@@H](Cc1ccccc1)C(O)=Nc1ccc2ccccc2c1,N[C@@H](Cc1ccccc1)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.8477116556169436,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_333dfb298426f2,catpred_iteration1_km,km,C4LXC4,C4LXC4,MSFIFIPTVRTLHQAELVLNHKNTYLRVNSSHMEVPQLVEFIHQLVDKYPGQKIYVDLQGSKIRISRSQPNLILTKDQSVELTIKAPTKDTKAIHIGNPNTIKLLSQGTHVKIDDGRMEIVVNSIKDSETAIATVIKGGELKPGKGFNLQPHPFVQNQLSERDAEIVEKLKDVKEVCFALSFVCVVEEIQDLKKRSNGKYIVAKIEREMDLERLKAISSQCNEIWICRGDMGVQLGFVGMAKFVREYTTFMKQLNCPSIMAGEVMEHLCDNTIPTRSEICYLGNLIADGYNGIVLSDETVFGKYPQQTMDFCYDFVQQYLN,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_ba31fac01ab2e8eb6f4c0726,test
catpreddb_km_km_3344e6e68be429,catpred_iteration1_km,km,P28594,P28594,MGSVLYSLSESANLYPASELFLRHRLQIVEELWESVLRQECGQNMVDLLRQLRDLCSPEGQATKDQAVSAVKLIEQLNINEAIRAARAFALYFQLINIIEQEYEQRQQLTRYSDLEAETAPLNGSENITSSSNHNEDDVIFNRGLGTDFLGKNWTNRGQGKQKGTFAALFPLLSKLNVPPQQIQRLISQLDVRLVFTAHPTEIVRHTIRDKQRQVVDLLQQLDEVENRAKDGGGYPWEAGEIREKLLEEIRLWWRTDELHQFKPTVLDEVDYALHYFQEVLFDGIPQLYKRFKYALNQTFSWLEPPSKDFCSFGSWVGSDRDGNPSVTPEITWQTACYQRKMVLERYIKSVTQLIELLSISMHWSDVLPDLLESLELDQSQLSEVYDALALRYRQEPYRLKLAYVLKRLENTRDRNLALYKGETPTNEDSPMYRSGSEFLAELRLIQHNLTETGLSCRELDNLICQVEIFDFNLTKLDIRQESTRHSDALNEILDYLQLLISSELPFSDKTNDVIKTFRVVRSLQQEFGINICQTYIISMCRQVSDVLEVLLLAKEARLFDPAIAVGTIQVVPLFETVEDLQRSRSVMRQLFELPLYRALLAGGYKNTEVKVPNTELTPQSPAPSPQSVLTPDLQEVMLGYSDSNKDSGFLSSNWEIHKAQKSLQQIAEEYGVNLRIFHGRGGSVGRGGGPAHEAILAQPGHSINGRIKITEQGEVLASKYSLLDLALYNLETITTAVIQASLLRTGFDDIEPWNEIMEELAARSRQHYRGLIYEQPDFIDFFHQVTPIEEISQLQISSRPARRPSGKKDLSSLRAIPWVFSWTQTRFLLPSWYGVGTALQEFFNEEPEEHLKLMRYFYVKWPFFKMVISKVEMTLAKVDMQMAGHYVQELSDPEDKPRFEKVFEQIANEYYLTRDLVLKITDHGRLLDGDPVLQRSVQLRNGTIVPLGFIQVSLLKRLRQSKNNTATSGVIHSRYSKGELLRGALLTINGIAAGMRNTG,O=C([O-])O,O=C([O-])O,O=C([O-])O>>,public_strict_iteration1_fulltrue_msa,,-0.619788758288394,,s_0f2161f1bc4b54e5a37fdbb7,test
catpreddb_km_km_3347cd1c686f27,catpred_iteration1_km,km,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_948648651b98b58a650dd2ca,test
catpreddb_km_km_334a51c7c1c4c2,catpred_iteration1_km,km,A0A2J9QFK1,A0A2J9QFK1,MAKKLLGIDLGGTSIKFGILTLDGQVQEKWAIETNILEDGKHIVPDIVSSIKHRLGLYNLTKEDFVGIGMGSPGAVDRNLKTVTGAFNLNWAATQEVGTIIEAELGIPFAIDNDANVAALGERWVGAGNNNPDVVFVTLGTGVGGGIIADGNLIHGVAGAGGEIGHIIVEPDTGFECTCGNKGCLETVASATGVVRVARHLAEEYEGISSIKAGIDNGDDVSSKDIFVAAQAGDKFANSVVEKVTFYLGLATANISNILNPNTVVVGGGVSAAGEFLRSHIESYFKLYAFPQVKQSTKIKIAELGNDAGIIGAASLAHQFLES,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_a668980814b2775a4189bbf4,test
catpreddb_km_km_335d9da2f89a1f,catpred_iteration1_km,km,O15460,O15460,MKLWVSALLMAWFGVLSCVQAEFFTSIGHMTDLIYAEKELVQSLKEYILVEEAKLSKIKSWANKMEALTSKSAADAEGYLAHPVNAYKLVKRLNTDWPALEDLVLQDSAAGFIANLSVQRQFFPTDEDEIGAAKALMRLQDTYRLDPGTISRGELPGTKYQAMLSVDDCFGMGRSAYNEGDYYHTVLWMEQVLKQLDAGEEATTTKSQVLDYLSYAVFQLGDLHRALELTRRLLSLDPSHERAGGNLRYFEQLLEEEREKTLTNQTEAELATPEGIYERPVDYLPERDVYESLCRGEGVKLTPRRQKRLFCRYHHGNRAPQLLIAPFKEEDEWDSPHIVRYYDVMSDEEIERIKEIAKPKLARATVRDPKTGVLTVASYRVSKSSWLEEDDDPVVARVNRRMQHITGLTVKTAELLQVANYGVGGQYEPHFDFSRNDERDTFKHLGTGNRVATFLNYMSDVEAGGATVFPDLGAAIWPKKGTAVFWYNLLRSGEGDYRTRHAACPVLVGCKWVSNKWFHERGQEFLRPCGSTEVD,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_eb720b10ca28b34c7bc7c7ea,test
catpreddb_km_km_3388a3ab220f57,catpred_iteration1_km,km,Q9NG18,Q9NG18,MALTLAAHKTLPRRKLVLVVLDGVGIGPRDEYDAVHVAKTPLMDALFNDPKHFRSICAHGTAVGLPTDADMGNSEVGHNALGAGRVVLQGASLVDDALESGEIFTSEGYRYLHGAFSQPGRTLHLIGLLSDGGVHSRDNQVYQILKHAGANGAKRIRVHALYDGRDVPDKTSFKFTDELEEVLAKLREGGCDARIASGGGRMFVTMDRYEADWSIVERGWRAQVLGEGRAFKSAREALTKFREEDANISDQYYPPFVIAGDDGRPIGTIEDGDAVLCFNFRGDRVIEMSRAFEEEEFDKFNRVRLPKVRYAGMMRYDGDLGIPNNFLVPPPKLTRTSEEYLIGSGCNIFALSETQKFGHVTYFWNGNRSGKLSEERETFCEIPSDRVQFNQKPLMKSKEITDAAVDAIKSGKYDMIRINYPNGDMVGHTGDLKATITSLEAVDQSLQRLKEAVDSVNGVFLITADHGNSDDMVQRDKKGKPVRDAEGNLMPLTSHTLAPVLFLSEALVLIPVCKCGQTFRVRPCNVTATFINLMGFEAPSDYEPSLIEVA,O=C(O)[C@@H](CO)OP(=O)(O)O,O=C(O)[C@@H](CO)OP(=O)(O)O,O=C(O)[C@@H](CO)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_c2bacf4afa0b570d63fdae0d,test
catpreddb_km_km_339d1197aad518,catpred_iteration1_km,km,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=COC(=O)CC,C=COC(=O)CC,C=COC(=O)CC>>,public_strict_iteration1_fulltrue_msa,,2.0,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_km_km_33a72f67aff6ba,catpred_iteration1_km,km,Q7Z8P9,Q7Z8P9,MSNEQTFIAIKPDGVQRGLIGPIISRFENRGFKLVAMKLVSPPQSQLEQHYADLSDKPFFKGLVSYMLSGPICAMVWEGRDVVKTGRTILGATNPLASAPGTIRGDFAIDVGRNVCHGSDSVENAKKEIALWFKPEELISWKSATFDWVYEKA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2898826348881837,,s_cf15e7b0ad16095e703f227c,test
catpreddb_km_km_33a798e963b77a,catpred_iteration1_km,km,Q39735,Q39735,MMSSLSVEGMLLKSARESCLPARVNQRRNGDLRRLNHHRQSSFVRCLTPARVSRPELRSSGLTPPRAVLNPVSPPVTTAKKRVFTFGKGRSEGNRDMKSLLGGKGANLAEMSSIGLSVPPGLTISTEACEEYQQNGKSLPPGLWDEISEGLDYVQKEMSASLGDPSKPLPLSVRSGAAISMPGMMDTVLNLGLNDEVVAGLAGKSGARFAYDSYRRFLDMFGNVVMGIPHSLFDEKLEQMKAEKGIHLDTDLTAADLKDLVEKYKNVYVEAKGEKFPTDPKKQLELAVNAVFDSWDSPRANKYRSINQITGLKGTAVNIQSMVFGNMGNTSGTGVLFTRNPSTGEKKLYGEFLINAQGEDVVAGIRTPEDLGTMETCMPDAYKELVENCEILEGHYKDMMDIEFTVQENRLWMLQCRTGKRTGKGAVRIAVDMVNEWLIDTRTAIKRVETQHLDQLLHPQFEDPSAYKSHVVATGLPASPGAAVGQVCFSAEDAETWHAQGKSAILVRTETSPEDVGGMHAAAGILTARGGMTSHAAVVARGWGKCCVSGCADIRVNDDMKIFTIGDRVIKEGDWLSLNGTTGEVILGKQLLAPPAMSNDLEIFMSWADQARRLKVMANADTPNDALTARNNGAQGIGLCRTEHMFFASDERIKAVRKMIMAVTPEQRKVALDLLLPYQRSDFEGIFRAMDGLPVTIRLLDPPLHEFLPEGDLEHIVNELAVDTGMSADEIYSKIENLSEVNPMLGFRGCRLGISYPELTEMQVRAIFQAAVSMTNQGVTVIPEIMVPLVGTPQELRHQISVIRGVAANVFAEMGVTLEYKVGTMIEIPRAALIAEEIGKEADFFSFGTNDLTQMTFGYSRDDVGKFLQIYLAQGILQHDPFEVIDQKGVGQLIKMATEKGRAANPNLKVGICGEHGGEPSSVAFFDGVGLDYVSCSPFRVPIARLAAAQVIV,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1829125641187,,s_8b7789b9714f3d22bb6addc3,test
catpreddb_km_km_33ccdfc546e615,catpred_iteration1_km,km,Q00441,Q00441,MTTVPDLESDSFHVDWYRTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEKYRGEFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALIRVQDDDDGRLSADELTSIALVLLLAGFEASVSLIGIGTYLLLTHPDQLALVRRDPSALPNAVEEILRYIAPPETTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPKQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVRLDG,Nc1cc2ccccc2c2ccccc12,Nc1cc2ccccc2c2ccccc12,Nc1cc2ccccc2c2ccccc12>>,public_strict_iteration1_fulltrue_msa,,-1.987162775294828,,s_cf50d631c1b1309ed4f5653e,test
catpreddb_km_km_33cdad19950919,catpred_iteration1_km,km,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.3665315444204134,,s_75fd08e1a005c55cbd677978,test
catpreddb_km_km_33dd47f6170d7f,catpred_iteration1_km,km,A3MTM6,A3MTM6,MKKVERFEVPRTIIFGPGALEKTPEVIPPSGRVLIITGKSSTRKYAERVAELLKQNCEIISYDQVELEKPGFDLVIGIGGGRPLDMAKVYSYIHKKPFVAIPTSASHDGIASPYVSFSLTQRFSKYGKISSSPVAIIADTSIILSAPSRLLKAGIGDLLGKIIAVRDWQLAHRLKGEEYSEYAAHLSLTSYKIAVGNAQKIKNFIREEDVRVLVKALIGCGVAMGIAGSSRPCSGSEHLFAHAIEVRVEKEDEVVHGELVALGTIIMAYLHGINWRRIKRIADIIGLPTSLRQANIDVDLALEALTTAHTLRPDRYTILGDGLSREAAKRALEDVELI,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.1135092748275182,,s_398e334dd7d54b01be4c4909,test
catpreddb_km_km_33f3c6e1cacbe8,catpred_iteration1_km,km,A0A9E6E518,A0A9E6E518,MSEMTLYGYWRSSAAYRVRIALNLKQLPYEQRSIHLVNNGGEQHSVQFQSLNASELVPVLIDGSVRLNQSLAIIDYLDEQYPSYLLTPLETQSRFLVKALAQDIAVDIHPINNLRVLQYLSNELSVDEAQKSRWYRHWINVGFHSLEKKLSETHGAYCVGDEISLVDVCLVPQVYNAERFSVDLDRYPIIQKVTVSLCRHPAFIAAAPENQPDAVAS,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_d3d474a7bb6454c732e4921f,test
catpreddb_km_km_340d10ef8d9804,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,C=CC(C)=O,C=CC(C)=O,C=CC(C)=O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_340facc2cce675,catpred_iteration1_km,km,P45563,P45563,MSQVQFSHNPLFCIDIIKTYKPDFTPRVAFILGSGLGALADQIENAVAISYEKLPGFPVSTVHGHAGELVLGHLQGVPVVCMKGRGHFYEGRGMTIMTDAIRTFKLLGCELLFCTNAAGSLRPEVGAGSLVALKDHINTMPGTPMVGLNDDRFGERFFSLANAYDAEYRALLQKVAKEEGFPLTEGVFVSYPGPNFETAAEIRMMQIIGGDVVGMSVVPEVISARHCDLKVVAVSAITNMAEGLSDVKLSHAQTLAAAELSKQNFINLICGFLRKIA,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0163737128754655,,s_037cbf2fdabf9e1ffc4d806b,test
catpreddb_km_km_3410ce50811db0,catpred_iteration1_km,km,A0A0B0DCL5,A0A0B0DCL5,SVNMCGIFGYINYLVEKDRKYILDTLVNGLSRLEYRGYDSAGLAIDGDKKNEVLAFKEVGKVAKLKELIDSQNLDLEETFDSHCGIAHTRWATHGPPSRVNCHPHRSDPNWEFSIVHNGIITNYKELKTLLEGKGFKFETETDTECIAKLAKYLYDQHPTVGFTDLAKAVINELEGAYGLLIKSVHYPHEVIAARKGSPLVIGVKTQKRMKVDFVDVEYADDQPLPAETASQNVALKKSAAGLLSPNGLLGAADKSLLHRSQSRAFMTDDGMPMPTEFFLSSDPSAIVEHTKKVMYLEDDDIAHIHEGSLNIHRLKKADGSSNVRTIQTLELELQEIMKGKFDHFMQKEIFEQPESVVNTMRGRLDVANKTVTLGGLRSYIDTIRRCRRIIFIACGTSYHSCMAVRGIFEELTEIPISVELASDFLDREAPVFRDDTCVFVSQSGETADSLMALRYCLERGALTVGIVNVVGSSISMMTHCGVHVNAGPEIGVASTKAYTSQFIAMVMFALSLGEDRASKKERREEIMEGLGKISEQISSVLTQDRKIKQLCEERFRNQKSLLLLGRGSQYSTALEGALKIKEISYLHCEAVMSGELKHGVLALVDENLPIIMILTRDKLFRKSLNAYQQVVARKGKPVVICNESDAEFQTSDAVKIEIPKTVDCLQGILNVIPLQLIAYWLAVMEGLNVDFPRNLAKSVTVE,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1249387366082999,,s_caec9672fa468c2de0ed8e13,test
catpreddb_km_km_345810698b432a,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_346d2dfb16c793,catpred_iteration1_km,km,P45563,P45563,MSQVQFSHNPLFCIDIIKTYKPDFTPRVAFILGSGLGALADQIENAVAISYEKLPGFPVSTVHGHAGELVLGHLQGVPVVCMKGRGHFYEGRGMTIMTDAIRTFKLLGCELLFCTNAAGSLRPEVGAGSLVALKDHINTMPGTPMVGLNDDRFGERFFSLANAYDAEYRALLQKVAKEEGFPLTEGVFVSYPGPNFETAAEIRMMQIIGGDVVGMSVVPEVISARHCDLKVVAVSAITNMAEGLSDVKLSHAQTLAAAELSKQNFINLICGFLRKIA,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.8096683018297085,,s_037cbf2fdabf9e1ffc4d806b,test
catpreddb_km_km_347770eefd35ae,catpred_iteration1_km,km,M4GGS2,M4GGS2,MFDLKKILDRPTIPWKLIISAFSIAQFSFESYLTYRQYQKLSETKLPPVLEDEIDDETFHKSRNYSRAKAKFSIFSDIYNLAQKLVFIKYDFFPKIWHMAVTLSNAVLPVRFHMVSTVAQSLCFLGLLSSMSTLVDLPLSYYSHFVLEEKFGFNKLTVKLWITDMIKSLTLAYAIGGPILYLFLKIFDKFPTDFLWYIMVFLFVVQILAMTIIPVFIMPLFNKFTPLEDGELKKSIESLADRVGFPLDKIFVIDGSKRSSHSNAYFTGLPFTSKRIVLFDTLVNSNSTDEITAVLAHEIGHWQKNHIVNMVIFSQLHTFLIFSLFTSIYRNSSFYNTFGFFVEKSSSGFVDPVITKEFPIIIGFMLFNDLLTPLECAMQFIMSLISRTHEYQADAYAKKLGYKQNLCRALIDLQIKNLSTMNVDPLYSSYHYSHPTLAERLTALDYVSEKKKNSGLEVLFQ,CCC(C)[C@H](N=C(O)[C@@H](N=C(O)[C@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)c1ccccc1N)C(C)O)C(C)C)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(=O)O,CCC(C)[C@H](N=C(O)[C@@H](N=C(O)[C@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)c1ccccc1N)C(C)O)C(C)C)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(=O)O,CCC(C)[C@H](N=C(O)[C@@H](N=C(O)[C@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C(O)c1ccccc1N)C(C)O)C(C)C)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.785156151952302,,s_b43f3ff9a1110d24bb2d3059,test
catpreddb_km_km_347a579becb5d0,catpred_iteration1_km,km,Q03ZZ4,Q03ZZ4,MRKIGVVGIGHVGVTVAHIIIAQGLADEIVLVDKNPEKLASEELDFRDAASLLDHHVEVHAGTVTDLTDAEVVISALGHIELIKPGGDRFTELKANTPEVQQVGSDLKQAGFNGVLIVISNPVDVITGIYQKATGLPANQVFGTGTYLDTARLKRALGDTLAIDPRGISGYMLGEHGDSQFAAWSTVNALGKNADELVKLYDINLDKVAEAARVGGFTVFAGKKYTNFAIAHAAVSLAKLVLSNARREAIVSHYDERFEGYISTPAIIGRDGVTAEFDLQLTDEEKILLQKSANAIAEKTAAYL,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.469822015978163,,s_1dadf416d12f62671fa60db4,test
catpreddb_km_km_347d1e737ef531,catpred_iteration1_km,km,Q9HAS3,Q9HAS3,MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNTKQDEEQVTVEQDSPRNREHMEDDDEEMQQKGCLERRYDTVCGFCRKHKTTLRHIIWGILLAGYLVMVISACVLNFHRALPLFVITVAAIFFVVWDHLMAKYEHRIDEMLSPGRRLLNSHWFWLKWVIWSSLVLAVIFWLAFDTAKLGQQQLVSFGGLIMYIVLLFLFSKYPTRVYWRPVLWGIGLQFLLGLLILRTDPGFIAFDWLGRQVQTFLEYTDAGASFVFGEKYKDHFFAFKVLPIVVFFSTVMSMLYYLGLMQWIIRKVGWIMLVTTGSSPIESVVASGNIFVGQTESPLLVRPYLPYITKSELHAIMTAGFSTIAGSVLGAYISFGVPSSHLLTASVMSAPASLAAAKLFWPETEKPKITLKNAMKMESGDSGNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWFGNMFDYPQLSFELICSYIFMPFSFMMGVEWQDSFMVARLIGYKTFFNEFVAYEHLSKWIHLRKEGGPKFVNGVQQYISIRSEIIATYALCGFANIGSLGIVIGGLTSMAPSRKRDIASGAVRALIAGTVACFMTACIAGILSSTPVDINCHHVLENAFNSTFPGNTTKVIACCQSLLSSTVAKGPGEVIPGGNHSLYSLKGCCTLLNPSTFNCNGISNTF,O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.2175486637353976,,s_9f1cf3571f91ea70ba225e03,test
catpreddb_km_km_348f5ebfee7afe,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.2041199826559248,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_348fb09f6e4664,catpred_iteration1_km,km,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C,C[C@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C,C[C@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_km_km_349230348c2ff8,catpred_iteration1_km,km,A0A317RMF0,A0A317RMF0,MIRNSLTDVFFAKDDVENLHEGVLRVLSKVGVKIENDEALGIFEQHGARVENGTVYIGEVLLNKALQTVPANFELQGFDRTVQVGLDHDPVVIPTNGTPMVLNFDGSYSDTNTDDLVNFYKLIDTSDVMQVTSEIAVDVPGLDKTKDSLLAQTALLMKYSHKPIYNILGATIHNYKKGSVAQGVRENIQFAKKYYGYDDKYVIYSGTCVISPLGVGWEAMDHFMGFIKENQPISITACSMTNLTAPGSLYGSVVEDAAAILSIVVLSQLMNPGLPVLYTSLSSMSDMRYVQLCMGAPEFALITLGHIALANFYKIPVRVGGALGDAFKADYQAGVESFVGLMAPMLSQSAMIPHGCGTMGSFNLTSYEKFIMDEETIRYLMRLRRGFEVSDKRKEKALKDITKVGPRGNFLGGRTPKEYREDNYLASEVFNRKGCKENTREEQGDIRDRARKVYDARMEAYELPDTTLEQKKLLNTELPEQYKFDI,C[N+](C)(C)C[C@H](O)CC(=O)O,C[N+](C)(C)C[C@H](O)CC(=O)O,C[N+](C)(C)C[C@H](O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_bba254c483e2e7b845fcb0d4,test
catpreddb_km_km_349db1037cb743,catpred_iteration1_km,km,P08196,P08196,MSVALLWVVSPCDVSNGTSFMESVREGNRFFDSSRHRNLVSNERINRGGGKQTNNGRKFSVRSAILATPSGERTMTSEQMVYDVVLRQAALVKRQLRSTNELEVKPDIPIPGNLGLLSEAYDRCGEVCAEYAKTFNLGTMLMTPERRRAIWAIYVWCRRTDELVDGPNASYITPAALDRWENRLEDVFNGRPFDMLDGALSDTVSNFPVDIQPFRDMIEGMRMDLRKSRYKNFDELYLYCYYVAGTVGLMSVPIMGIAPESKATTESVYNAALALGIANQLTNILRDVGEDARRGRVYLPQDELAQAGLSDEDIFAGRVTDKWRIFMKKQIHRARKFFDEAEKGVTELSSASRFPVWASLVLYRKILDEIEANDYNNFTKRAYVSKSKKLIALPIAYAKSLVPPTKTASLQR,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4271283977995195,,s_240848fefb718834b0fff4cc,test
catpreddb_km_km_34aaa0b3bde23e,catpred_iteration1_km,km,Q8IE38,Q8IE38,MHKNICIYGGSFDPITYAHEMVLDKISNLNWIHEIWVVICRCRNDKSLTEFHHRHNMFTIIINNSSKIIKSKIFLKDLESHSEMTPTYDLLKTQKELHPNYTFYFGLGSDLICDIFSWDEGEKLVLENAFIIIERGHFKIDESILKKFPKYYLINIPKLSFINFISSSEARKFLTKENDINDIKKYIHPLTIDYIIKYNLYDFN,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_979d2073702645bf77230a4c,test
catpreddb_km_km_34d23cc46a46bc,catpred_iteration1_km,km,P56742,P56742,MNVFFMFSLLFLAALGSCAHDRNPLEECFRETDYEEFLEIAKNGLTATSNPKRVVIVGAGMAGLSAAYVLAGAGHQVTVLEASERVGGRVRTYRKKDWYANLGPMRLPTKHRIVREYIKKFDLKLNEFSQENENAWYFIKNIRKRVREVKNNPGLLEYPVKPSEEGKSAAQLYVESLRKVVKELKRTNCKYILDKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFGYEKRFDEIVGGMDQLPTSMYEAIKEKVQVHFNARVIEIQQNDREATVTYQTSANEMSSVTADYVIVCTTSRAARRIKFEPPLPPKKAHALRSVHYRSGTKIFLTCKKKFWEDDGIRGGKSTTDLPSRFIYYPNHNFTSGVGVIIAYGIGDDANFFQALDFKDCADIVINDLSLIHQLPKEDIQTFCRPSMIQRWSLDKYAMGGITTFTPYQFQHFSEALTAPFKRIYFAGEYTAQFHGWIDSTIKSGLTAARDVNRASENPSGIHLSNDNEF,COc1ccc(CC(N)C(=O)O)cc1,COc1ccc(CC(N)C(=O)O)cc1,COc1ccc(CC(N)C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.3565473235138126,,s_f9506aedb3f92081e7f38e21,test
catpreddb_km_km_34e1528446dbb1,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_34f48122369f81,catpred_iteration1_km,km,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,O=C(O)[C@H](O)CO,O=C(O)[C@H](O)CO,O=C(O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.2624510897304295,,s_132f66001f653d7ed2ddbe90,test
catpreddb_km_km_350f29fc3227ba,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3117538610557542,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_351ab7b9188919,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_351af442a68d82,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCCC(O)/C=C/C=O,CCCCCC(O)/C=C/C=O,CCCCCC(O)/C=C/C=O>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_3531f1168abccf,catpred_iteration1_km,km,P00366,P00366,MYRYLGEALLLSRAGPAALGSASADSAALLGWARGQPAAAPQPGLVPPARRHYSEAAADREDDPNFFKMVEGFFDRGASIVEDKLVEDLKTRETEEQKRNRVRSILRIIKPCNHVLSLSFPIRRDDGSWEVIEGYRAQHSQHRTPCKGGIRYSTDVSVDEVKALASLMTYKCAVVDVPFGGAKAGVKINPKNYTDNELEKITRRFTMELAKKGFIGPGVDVPAPDMSTGEREMSWIADTYASTIGHYDINAHACVTGKPISQGGIHGRISATGRGVFHGIENFINEASYMSILGMTPGFGDKTFVVQGFGNVGLHSMRYLHRFGAKCITVGESDGSIWNPDGIDPKELEDFKLQHGTILGFPKAKIYEGSILEVDCDILIPAASEKQLTKSNAPRVKAKIIAEGANGPTTPEADKIFLERNIMVIPDLYLNAGGVTVSYFEWLNNLNHVSYGRLTFKYERDSNYHLLMSVQESLERKFGKHGGTIPIVPTAEFQDRISGASEKDIVHSGLAYTMERSARQIMRTAMKYNLGLDLRTAAYVNAIEKVFRVYNEAGVTFT,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.261285066527181,,s_863067971e96600ee73ae55f,test
catpreddb_km_km_3536581d3d8cab,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4027230174417211,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_35391e64973544,catpred_iteration1_km,km,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5645235610474261,,s_2bf532d075628659b9957308,test
catpreddb_km_km_354188424d147d,catpred_iteration1_km,km,O24035,O24035,MAPMVISDKDEMRKWSRSMRSQGKLIALVPTMGFLHEGHLSLVRDAHNHADLVAVSIYVNPGQFSPTEDLSAYPSDFQGDLQKLMSVPGGVDVVFHPHNLYDYGGDGGDAVAECGGDGVVSCVDRRSGFGHETWVRAEKLEKPLCGKSRPVFFRGVATIVTKLFNIVEPDVAVFGKKDYQQWKIIQRMVRDLDFSIKVIGSEVIREKDGLAMSSRNVYLSPEEREKAVSINKSLFRAKSAAEDGQIHCEKLINLVVQSITEAGGRIDYAEIVDQNNLEKVEWIKGPVVFCVSAWFGKARLIDNIEINL,NCCC(=O)O,NCCC(=O)O,NCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1826606239106588,,s_ac4888201ab536eccab378de,test
catpreddb_km_km_3550ce753aff57,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CC[C@H]3[C@@H](CCC4CCC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4CCC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4CCC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-0.3372421683184259,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_356090471e7998,catpred_iteration1_km,km,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_2caefa44f3749bcdb7479c26,test
catpreddb_km_km_357ff760e0293c,catpred_iteration1_km,km,P12276,P12276,MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.290034611362518,,s_79bb22d00f99679a2d54532a,test
catpreddb_km_km_3586e10e62ad6f,catpred_iteration1_km,km,Q9FMT1,Q9FMT1,MAAFLQTNISLNAIKIVPGKYSSLTDHQFRAPYRIRCAAASPGKKRYNIALLPGDGIGPEVISVAKNVLQKAGSLEGLEFDFKEMPVGGAALDLVGVPLPEETFTAAKLSDAILLGAIGGYKWDKNEKHLRPEMALFYLRRDLKVFANLRPATVLPQLVDASTLKKEVAEGVDMMIVRELTGGIYFGEPRGITINENGEEVGVSTEIYAAHEIDRIARVAFETARKRRGKLCSVDKANVLDASILWRKRVTALASEYPDVELSHMYVDNAAMQLIRDPKQFDTIVTNNIFGDILSDEASMITGSIGMLPSASLGESGPGLFEPIHGSAPDIAGQDKANPLATILSAAMLLKYGLGEEKAAKRIEDAVVDALNKGFRTGDIYSPGNKLVGCKEMGEEVLKSVESKVPATV,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.036212172654445,,s_432bb4b606ec423ec0d88ead,test
catpreddb_km_km_35894a4080b0fc,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C2SC(C)(C)C3C(=O)O)c2ccccc2)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-3.769551078621726,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_358d352009d21b,catpred_iteration1_km,km,B3VS85,B3VS85,TLTQVSAFGSNPGNLNMYVYRPATLPDNAPLVVLLHGCSQDAATYHAHSGWAKYADSLGFALVYAEQKSANNSSSCFNWFQKSDTARGSGEAQSIRSMVDYAVRTYSLDEERVYISGLSAGGAMASEMLAAYPDVFAGGSIVAGIPTGCASSLLDATTCMFSGRNLTPKQWGDLVRAKNPGWQGPWPRVAIWHGTADAVVTPKNAQSSRDQWTNVWGIGQTPARTANLGANTTVEYYQDSSGRDVVARYLVSGMGHGTPADPGSGTDQCGTAGAYFLDTICSTYHTIQFWELDGDPQPSPSPSPSPSPSPSPTTPPAGECVTANNYQHVAEGRAYVSYGYAYSVGGNDLLGLWNIYVITSVQETSPGYWERVSGC,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1023729087095585,,s_16aa3d1265c24731fc6e91e1,test
catpreddb_km_km_359fd885244ebd,catpred_iteration1_km,km,A0A1Y0UV69,A0A1Y0UV69,MSTEAPRLIRSIRLLDAAEDRIKTEFTAPPPPEKSLKTPALLELAKEFQPFAVVLTNNAPLKGKDVDALPECVKLVSTVSVGLDHLDIPTLHARGIAVSNTPNVLTDCNADLSMMLILAACRRAAEYYTLMKNGWHHGLGMGGMLGHRVTGKRLGIVGMGRIGQAVAKRARGFDMTILYHNRSRLSAAEEAGATYFEKLEDMLPHCDVLTLHMPGSPSAPPLMNSQTFSLLPKGSVFVNAARGSLVDEDALIEALESGHLFGAGLDVYRQEPNPNPRLTALPNIFMTPHAGSATIETRTAMCMLALDNVEALAKGLPMPTPVTV,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_3ec0dc664857423fb2e2db96,test
catpreddb_km_km_35aa8036aa510d,catpred_iteration1_km,km,P76641,P76641,MMSGEHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWENGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGAYGEQLLEWLNKHTFPTERRYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINMRMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFAPTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDVYHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFNLKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFYLATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVDKLFVMMTLGDDRSIYRTYVDGRLVYERN,N=c1nc(O)[nH]c(=N)[nH]1,N=c1nc(O)[nH]c(=N)[nH]1,N=c1nc(O)[nH]c(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_6be357ed52bee5995478ed69,test
catpreddb_km_km_35b2c1067e0e68,catpred_iteration1_km,km,Q9HAS3,Q9HAS3,MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNTKQDEEQVTVEQDSPRNREHMEDDDEEMQQKGCLERRYDTVCGFCRKHKTTLRHIIWGILLAGYLVMVISACVLNFHRALPLFVITVAAIFFVVWDHLMAKYEHRIDEMLSPGRRLLNSHWFWLKWVIWSSLVLAVIFWLAFDTAKLGQQQLVSFGGLIMYIVLLFLFSKYPTRVYWRPVLWGIGLQFLLGLLILRTDPGFIAFDWLGRQVQTFLEYTDAGASFVFGEKYKDHFFAFKVLPIVVFFSTVMSMLYYLGLMQWIIRKVGWIMLVTTGSSPIESVVASGNIFVGQTESPLLVRPYLPYITKSELHAIMTAGFSTIAGSVLGAYISFGVPSSHLLTASVMSAPASLAAAKLFWPETEKPKITLKNAMKMESGDSGNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWFGNMFDYPQLSFELICSYIFMPFSFMMGVEWQDSFMVARLIGYKTFFNEFVAYEHLSKWIHLRKEGGPKFVNGVQQYISIRSEIIATYALCGFANIGSLGIVIGGLTSMAPSRKRDIASGAVRALIAGTVACFMTACIAGILSSTPVDINCHHVLENAFNSTFPGNTTKVIACCQSLLSSTVAKGPGEVIPGGNHSLYSLKGCCTLLNPSTFNCNGISNTF,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(CO)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-2.128088389198125,,s_9f1cf3571f91ea70ba225e03,test
catpreddb_km_km_35b30ec56b8743,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.5363090705315275,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_35b5c83c9df679,catpred_iteration1_km,km,O07529,O07529,MNMLVINGTPRKHGRTRIAASYIAALYHTDLIDLSEFVLPVFNGEAEQSELLKVQELKQRVTKADAIVLLSPEYHSGMSGALKNALDFLSSEQFKYKPVALLAVAGGGKGGINALNNMRTVMRGVYANVIPKQLVLDPVHIDVENATVAENIKESIKELVEELSMFAKAGNPGV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_51b28bd3ae8d4e00b6efac4c,test
catpreddb_km_km_35dce92c8d3335,catpred_iteration1_km,km,Q88IJ7,Q88IJ7,MSDRYAVIGRPINHTKSPLIHGLFAQASNQQLEYGAIEGSLDDFEAQVLQFRSEGGKGMNITAPFKLRAFELADRRSERAQLARAANALKFEDGRIVAENFDGIGLLRDIEENLGEPLRNRRVLLLGAGGAVRGALLPFLQAGPSELVIANRDMAKALALRNELDHSRLRISRYEALEGQSFDIVVNATSASLTADLPPLPADVLGEAALAYELAYGKGLTPFLRLAREQGQARLADGVGMLVEQAAEAFAWWRGVRPDTRAVINQLTIPLE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.69815722519265,,s_0c0d843b21f182e40510ca14,test
catpreddb_km_km_35dfb4ae610cab,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.7695510786217263,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_35edf2b5148bc6,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.0362121726544449,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_36055a5b417cec,catpred_iteration1_km,km,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,CN[C@H](CC(=O)O)C(=O)O,CN[C@H](CC(=O)O)C(=O)O,CN[C@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.5049027295481434,,s_74cdd8566f34570e4d30f31c,test
catpreddb_km_km_36100ba14714cc,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(=O)O,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(=O)O,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3098039199714864,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_363678c632c30f,catpred_iteration1_km,km,P50317,P50317,MGDLTIPTMDDIDIQSKKVLLRIDINSPVDENGKIIDDSRIKAHIGTIKELINKGNSVVLISHQGRPGDKDFTSLEEHAKLISKYLDREVIFVDDVIGPYAREMIKKLENNGILLLDNIRLISEELIEAPPQQHVKSFLVKKLAPLFDIYINDAFATAHRSQPSIVGFPLALPSAAGRVMEREVSALAKIFNAEDTPKIFTLGGGKVHDTIRIIENLVRKRIADRILTGGLVAELFSVAKGMNLNPKNMEILEKLGILSLIPRARKLLLSGAPIEIPVDYKVEINGNVIEEPASKVTGIIKDIGSTTAEIYSSFIKDAKVVVLRGPMGVIEDERFKSGSKSVLKASLEGQGYVIIGGGHMISALDEDMKIDSSKVHISTGGGALLLFLSGERLPALEALSMSVVNSGD,O=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O,O=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O,O=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.7481880270062004,,s_84c1c44d3d3765119cda3118,test
catpreddb_km_km_3640e641278a7c,catpred_iteration1_km,km,Q02108,Q02108,MFCTKLKDLKITGECPFSLLAPGQVPNESSEEAAGSSESCKATVPICQDIPEKNIQESLPQRKTSRSRVYLHTLAESICKLIFPEFERLNVALQRTLAKHKIKESRKSLEREDFEKTIAEQAVAAGVPVEVIKESLGEEVFKICYEEDENILGVVGGTLKDFLNSFSTLLKQSSHCQEAGKRGRLEDASILCLDKEDDFLHVYYFFPKRTTSLILPGIIKAAAHVLYETEVEVSLMPPCFHNDCSEFVNQPYLLYSVHMKSTKPSLSPSKPQSSLVIPTSLFCKTFPFHFMFDKDMTILQFGNGIRRLMNRRDFQGKPNFEEYFEILTPKINQTFSGIMTMLNMQFVVRVRRWDNSVKKSSRVMDLKGQMIYIVESSAILFLGSPCVDRLEDFTGRGLYLSDIPIHNALRDVVLIGEQARAQDGLKKRLGKLKATLEQAHQALEEEKKKTVDLLCSIFPCEVAQQLWQGQVVQAKKFSNVTMLFSDIVGFTAICSQCSPLQVITMLNALYTRFDQQCGELDVYKVETIGDAYCVAGGLHKESDTHAVQIALMALKMMELSDEVMSPHGEPIKMRIGLHSGSVFAGVVGVKMPRYCLFGNNVTLANKFESCSVPRKINVSPTTYRLLKDCPGFVFTPRSREELPPNFPSEIPGICHFLDAYQQGTNSKPCFQKKDVEDGNANFLGKASGID,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.1870866433571443,,s_700caa792b7faa7a82ca6196,test
catpreddb_km_km_3648eb591fd6ab,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,NNC(=O)c1ccncc1,NNC(=O)c1ccncc1,NNC(=O)c1ccncc1>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_3653da918a0fe7,catpred_iteration1_km,km,P53004,P53004,MNAEPERKFGVVVVGVGRAGSVRMRDLRNPHPSSAFLNLIGFVSRRELGSIDGVQQISLEDALSSQEVEVAYICSESSSHEDYIRQFLNAGKHVLVEYPMTLSLAAAQELWELAEQKGKVLHEEHVELLMEEFAFLKKEVVGKDLLKGSLLFTAGPLEEERFGFPAFSGISRLTWLVSLFGELSLVSATLEERKEDQYMKMTVCLETEKKSPLSWIEEKGPGLKRNRYLSFHFKSGSLENVPNVGVNKNIFLKDQNIFVQKLLGQFSEKELAAEKKRILHCLGLAEEIQKYCCSRK,C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O,C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O,C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O>>,public_strict_iteration1_fulltrue_msa,,-2.593646555850379,,s_11342393ff618e3c41413bb9,test
catpreddb_km_km_367030bea22602,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CCC(O)C(=O)O,CCC(O)C(=O)O,CCC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4183012913197454,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_36adb2362f120b,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2365720064370627,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_36b674e8447eb7,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,CCOC(=O)[C@H](CCCNC(=N)N)N=C(O)c1ccccc1,CCOC(=O)[C@H](CCCNC(=N)N)N=C(O)c1ccccc1,CCOC(=O)[C@H](CCCNC(=N)N)N=C(O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.5185139398778875,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_36c06ac3a2d8a7,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](O)c3ccccc3)[C@H]2SC1,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](O)c3ccccc3)[C@H]2SC1,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](O)c3ccccc3)[C@H]2SC1>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_36cb8aa6b240df,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.619788758288394,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_36d480eb141ede,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5910646070264992,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_36fd4e39958bcc,catpred_iteration1_km,km,P9WJM1,P9WJM1,MAERFVVTGGNRLSGEVAVGGAKNSVLKLMAATLLAEGTSTITNCPDILDVPLMAEVLRGLGATVELDGDVARITAPDEPKYDADFAAVRQFRASVCVLGPLVGRCKRARVALPGGDAIGSRPLDMHQAGLRQLGAHCNIEHGCVVARAETLRGAEIQLEFPSVGATENILMAAVVAEGVTTIHNAAREPDVVDLCTMLNQMGAQVEGAGSPTMTITGVPRLHPTEHRVIGDRIVAATWGIAAAMTRGDISVAGVDPAHLQLVLHKLHDAGATVTQTDASFRVTQYERPKAVNVATLPFPGFPTDLQPMAIALASIADGTSMITENVFEARFRFVEEMIRLGADARTDGHHAVVRGLPQLSSAPVWCSDIRAGAGLVLAGLVADGDTEVHDVFHIDRGYPLFVENLVSLGAEIERVCC,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2775306141159691,,s_6024f687e092c2ed6165f096,test
catpreddb_km_km_3713594877dea1,catpred_iteration1_km,km,Q95JH5,Q95JH5,MDPKYQRVALNDGHFMPVLGFGTYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,OC1CCOc2ccccc21,OC1CCOc2ccccc21,OC1CCOc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.136677139879544,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_371a3bde3d6224,catpred_iteration1_km,km,Q9MYU4,Q9MYU4,MEDRRESELKTFCSKNILVILGFSSIIAVIALLALGLTQNKPLPENVKFGIVLDAGSSHTSLYIYKWPAEKENDTGVVSQVEECKLKGPGISEFAKKLGEIDIYLEACMERARTVVPKSQHAETPVYLGATAGMRLLRMKNENLASKILSTVAESITRYPFDFQGARIITGQEEGAYGWITINYLLDKFIQKSGWFNLKPRKGDTQETYGALDLGGASTQITFVPQNQVLESPENTLHFRLYGKNYSVYTHSFLCYGKDQALLQKLTKDLKNTNGTIHEPCFHSGYQRRMNVSHLYEAPCTRRFLTSLPFPELEIQGTGDFQKCQQSIRPLFNTSYCPYSRCSFDGVFLPLPQGDFAAFSAFYYVMGFLNLTSEEGSFQSKVTSTLEAFCSRPWAELQMYFGDVKEKYLSEYCFSGTYILTLLLSGYHFTAETWKNIHFMGKVQSTSVGWTLGYMLNLTNMIPSEEPSSTRLSHSTYVFLMVLFSLILVIVVIIGLFVCHRPSYFWKDMV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.633431419552677,,s_9a0e07b7012bc1cc9b27b550,test
catpreddb_km_km_3767bf8ea24024,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_37705fa1f577fa,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_3782b20824aae1,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-3.0317431287605685,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_378355a28d9275,catpred_iteration1_km,km,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,1.08278537031645,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_km_km_3787247d2a6bbb,catpred_iteration1_km,km,O04862,O04862,MSILKCLGVRGNQLCAARNYLKVLGFSSFHTAPNSSIEIQTQDEEVVIALGSNVGDRLHNFKEALKLMRKSGIHITRHASLYETAPAYVTDQPRFLNSAVRADTKLGPHELLAALKRIEKDMGRTDGIRYGPRPIDLDILFYGKFKVRSDILTVPHERIWERPFVMAPLMDLLGTAIDSDTVASWHSFSGHSGGLNALWEKLGGESLIGEEGMYRVMPVANGLLDWSRRTLVMGILNLTPDSFSDGGNFQSVKSAVSQARLMISEGADIIDIGAQSTRPMASRISAEEELGRLIPVLEAVMSIPEVEGKLISVDTFYSEVALEAVRKGAHIINDVSAGKLDASMFKVMAELDVPYVAMHMRGDPSTMQDSENLKYDNVCKDISSELYSRVREAEISGIPAWRIIMDPGIGFSKKTEDNLAALTGIPDIREEISKRSLAISHAPILIGPSRKRFLGEICSRPSAVDRDPATIASVTAGVLCGANIVRVHNVKDNLDAVKLCDAILKQKSSPIKFKQ,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_21cb6f464fcfeed0526f89c7,test
catpreddb_km_km_37b0993023bfe3,catpred_iteration1_km,km,Q9ZN18,Q9ZN18,MKRMLAEFEKIQAILMAFPHEFGDWAYCIEEARESFLHIIQTIAKHAKVLVCVHTNDTIGYETLKNLPGVEIARIDTNDTWARDFGAISVENHGVLECLDFGFNGWGLKYPSNLDNQVNFKLKHLGFLKHPLKTMPYILEGGSIESDGAGSILTNTQCLLEKNRNPHLNQNGIETMLKKELGAKQVLWYSYGYLKGDDTDSHTDTLARFLNKDTIVYSACEDENDEHYTALKKMQEELKTFKKLDGTPYKLIPLEIPKAVYNENQQRLPATYVNFLLCNNALIVPTYNDPNDTLILETLRQHTPLEVIGVDCNTLIKQHGSLHCVTMQLY,N=C(N)NCCCCN,N=C(N)NCCCCN,N=C(N)NCCCCN>>,public_strict_iteration1_fulltrue_msa,,-1.4814860601221125,,s_755d12fb6ba62f190eccbae9,test
catpreddb_km_km_37cfd341b62ec9,catpred_iteration1_km,km,Q9H9P8,Q9H9P8,MVPALRYLVGACGRARGLFAGGSPGACGFASGRPRPLCGGSRSASTSSFDIVIVGGGIVGLASARALILRHPSLSIGVLEKEKDLAVHQTGHNSGVIHSGIYYKPESLKAKLCVQGAALLYEYCQQKGISYKQCGKLIVAVEQEEIPRLQALYEKGLQNGVPGLRLIQQEDIKKKEPYCRGLMAIDCPHTGIVDYRQVALSFAQDFQEAGGSVLTNFEVKGIEMAKESPSRSIDGMQYPIVIKNTKGEEIRCQYVVTCAGLYSDRISELSGCTPDPRIVPFRGDYLLLKPEKCYLVKGNIYPVPDSRFPFLGVHFTPRMDGSIWLGPNAVLAFKREGYRPFDFSATDVMDIIINSGLIKLASQNFSYGVTEMYKACFLGATVKYLQKFIPEITISDILRGPAGVRAQALDRDGNLVEDFVFDAGVGDIGNRILHVRNAPSPAATSSIAISGMIADEVQQRFEL,O=C(O)CC[C@H](O)C(=O)O,O=C(O)CC[C@H](O)C(=O)O,O=C(O)CC[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.252574989159953,,s_a62fe8db5f74c6c0529ac87f,test
catpreddb_km_km_37e5a468e1925d,catpred_iteration1_km,km,P80456,P80456,MEPAPELLFYVNGRKVVEKQVDPETMLLPYLRKKLRLTGTKYGCGGGGCGACTVMISRYNRVTKKIRHYPVNACLTPICSLYGAAVTTVEGIGSTTTRLHPVQERIAKFHGTQCGFCTPGMVMSMYALLRNHPEPTLDQLADALGGNLCRCTGYRPIIEAYKTFCKTSDCCQNKENGFCCLDQGINGLPEVEEENQTRPNLFSEEEYLPLDPTQELIFPPELMTMAEKQPQRTRVFSGERMMWISPVTLKALLEAKSTYPQAPVVMGNTSVGPGVKFKGIFHPVIISPDSIEELNVVSHTHSGLTLGAGLSLAQVKDILADVVQKVPEENAQTYRALLKHLGTLAGSQIRNMASLGGHIISRHLDSDLNPLLAVGNCTLNVLSKEGERQIPLDEQFLSRCPEADLKPQEILASVHIPYSRKWEFVLAFRQAQRKQNALAIVNSGMRVFFGEGDGIIRELAISYGGVGPTIICAKNSCQKLIGRSWNEEMLDTACRLILDEGEDMLITGGRHPYLGKYKAGFMNDGRIVALDVEHYSNGGCSLDESLLVIEMGLLKMENAYKFPNLRCRGWACRTNLPSNTAFRGFGFPQAGLITECCITEVAAKCGLSPEKVRAINFYKEIDQTPYKQEINAKNLTQCWNECLAKSSYFQRKVAVEKFNAENYWKQRGLAIIPFKYPRGLGSVAYGQAAALVHVYLDGSVLVTHGGIEMGQGVHTKMIQVVSRELKMPMSNVHLRGTSTETVPNTNASGGSVVADLNGLAVKDACQTLLKRLEPIINKNPQGTWKEWAQAAFDKSISLSATGYFRGYDSNIDWDKGEGHPFEYFVYGAACSEVEIDCLTGDHKTIRTDIVMDVGYSINPALDIGQVEGAFIQGMGLYTIEELHYSPQGILYSRGPNQYKIPAICDIPAELNVTFLPPSEKSNTLYSSKGLGESGVFMGCSVFFAIREAVCAARQARGLSAPWKLSSPLTPEKIRMACEDKFTKMIPRDKPGSYVPWNVPV,Nc1ncc2ncn(CCC(CO)CO)c2n1,Nc1ncc2ncn(CCC(CO)CO)c2n1,Nc1ncc2ncn(CCC(CO)CO)c2n1>>,public_strict_iteration1_fulltrue_msa,,-0.4256986725969532,,s_04b9f3c94ca3b5e5a9ff9ad1,test
catpreddb_km_km_37e9ba382bf3d4,catpred_iteration1_km,km,E2JA31,E2JA31,MSILNNKEVIVIIDAWSGGKHLIPAFQALGYFCLHVQSTFLPEVFIADNQLAIARSDRHIVHDGNIETLLSQLQPYTIKAILAGSEGAVGLADCLNDALELTFSNQFELSAARRNKYLMQEQLALKGVASINQQLAGHSDELKQWLAGHAHWPVVLKPIQSAGTDGVFICHDLAQALQAFEAILAKKDFFGSPNREVLCQEFLAGEEFVVNGIACQGEYFFTELWQSKKQQRNGFPVYETQYLHYQNDAGFDVLTAYTVQVCQTLGINNGAFHAEVMMTSGGPVLIEIGARVAGGADPYIIEECLGHSQISKLAQAVLHPAKFLQECRRQHDFSGHRRAAYVYMISPSPGRVQVSPEEKFIKIDGVISINYHYAPGDIQQETCDLLSSPGVIIAIRDNPALLKQTIAEIRDVEADFYHLGLIDE,N=C(O)/C=C/C(O)=NC[C@H](N)C(=O)O,N=C(O)/C=C/C(O)=NC[C@H](N)C(=O)O,N=C(O)/C=C/C(O)=NC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_dd231b207901506b1bef7a84,test
catpreddb_km_km_37f461945fb167,catpred_iteration1_km,km,P17174,P17174,MAPPSVFAEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGTGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIVVLHACAHNPTGIDPTPEQWKQIASVMKHRFLFPFFDSAYQGFASGNLERDAWAIRYFVSEGFEFFCAQSFSKNFGLYNERVGNLTVVGKEPESILQVLSQMEKIVRITWSNPPAQGARIVASTLSNPELFEEWTGNVKTMADRILTMRSELRARLEALKTPGTWNHITDQIGMFSFTGLNPKQVEYLVNEKHIYLLPSGRINVSGLTTKNLDYVATSIHEAVTKIQ,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3138672203691534,,s_be94aa68fdcbc97624dc66b1,test
catpreddb_km_km_3805f13b1117c4,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_381198fd5f590b,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-0.553396623470076,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_384fc2c9799a2b,catpred_iteration1_km,km,Q9S4M7,Q9S4M7,MAKVYKDLREFLEVLEQEGQLIRVKEEVNPEPDIAAAGRAAANLGKNQPAVFFEKIKGYKYSVVTNVHGSWQNHALMLGLDKNTSTKDQFYELNRRWDKFPVPPNVVKREAAPCKENVIDKDINLFEILPLYRINEQDGGFYISKASVVTADPEYPDDFNKLNVGTYRIQVKDRDRVGIQALAMHDIAVQLEKAEAENKPLPIAITIGNNPLVTFMASTPVGYNQNEYEFVGALQDGVPMDIVKSDLYDHLYVPAGSEVVLEGHIIPRVRTVEGPFGEFPGSYSGARLQCEVKIDRITHRTNPIFENLYLGIPWTEIDYLMALNTSVPLYKQLKETMPEVVAVNAMYTHGIGVIISTKVRYGGYAKGVAFRLLSTPHGMPYSKIVIVVDEFVDPFNLEQVMWALTTRVHPGKDVSIIENCPGMPLDPSTNPPGMHTKMIIDATTPVPPEPNPRETQLLDPPDGTEEWEEKLKELLKNQNR,O=C(O)c1ccc(O)cc1,O=C(O)c1ccc(O)cc1,O=C(O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_b24e83f29df4439ba6a95c20,test
catpreddb_km_km_386076dd24cdc4,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,Oc1ccc2ccc3cc4ccccc4c4ccc1c2c34,Oc1ccc2ccc3cc4ccccc4c4ccc1c2c34,Oc1ccc2ccc3cc4ccccc4c4ccc1c2c34>>,public_strict_iteration1_fulltrue_msa,,-0.7721132953863264,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_386d21c060bcd7,catpred_iteration1_km,km,Q9C1V4,Q9C1V4,MASLVAGALCILGLTPAAFARAPVAARATGSLDSFLATETPIALQGVLNNIGPNGADVAGASAGIVVASPSRSDPNYFYSWTRDAALTAKYLVDAFIAGNKDLEQTIQQYISAQAKVQTISNPSGDLSTGGLGEPKFNVNETAFTGPWGRPQRDGPALRATALIAYANYLIDNGEASTADEIIWPIVQNDLSYITQYWNSSTFDLWEEVEGSSFFTTAVQHRALVEGNALATRLNHTCSNCVSQAPQVLCFLQSYWTGSYVLANFGGSGRSGKDVNSILGSIHTFDPAGGCDDSTFQPCSARALANHKVVTDSFRSIYAINSGIAEGSAVAVGRYPEDVYQGGNPWYLATAAAAEQLYDAIYQWKKIGSISITDVSLPFFQDIYPSAAVGTYNSGSTTFNDIISAVQTYGDGYLSIVEKYTPSDGSLTEQFSRTDGTPLSASALTWSYASLLTASARRQSVVPASWGESSASSVPAVCSATSATGPYSTATNTVWPSSGSGSSTTTSSAPCTTPTSVAVTFDEIVSTSYGETIYLAGSIPELGNWSTASAIPLRADAYTNSNPLWYVTVNLPPGTSFEYKFFKNQTDGTIVWEDDPNRSYTVPAYCGQTTAILDDSWQ,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.72916478969277,,s_5f0631374fe680a8b20d9d28,test
catpreddb_km_km_3877084bdb791f,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)[C@H](O)[C@@H]3O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)[C@H](O)[C@@H]3O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)[C@H](O)[C@@H]3O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.9452107265478068,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_38933a1b15a521,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_38ac4d763e0a17,catpred_iteration1_km,km,D4GYE6,D4GYE6,MILTVTPNPAVDHTIHFDEPLQTGVVHRTDDAVFTAGGKGINVAKYASALDADVTASGFLGGHFGKFVRDRLDADGIASDFVTVDADTRLNTTVLAADGEYKLNHNGPQIRAADVDELVETAQANEPDTLLVGGSLPPGMSLSDVDRLARAGDWKIAVDMGGEYLAELDADYYVCKPNRSELAAATGRTVETEADAVEAAEELHARGFEYVLASLGADGALLVTDDEVLSAPALDVEVVDTVGAGDAVMSGFLAAREHGLSDADALRMGVLTASRVVGVAGTRVPDLEDVLTNETHVEVTTVRTR,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0492180226701816,,s_3eb6cfd7abcb75cd7d47d0b4,test
catpreddb_km_km_38bee35d8cd30a,catpred_iteration1_km,km,A0A832T5N0,A0A832T5N0,MIIETPSKVILFGEHAVVYGYRAISMAIDLTSTIEIKETQEDEIILNLNDLNKSLGLNLNEIKNINPNNFGDFKYCLCAIKNTLDYLNIEPKTGFKINISSKIPISCGLGSSASITIGTIKAVSGFYNKELKDDEIAKLGYMVEKEIQGKASITDTSTITYKGILEIKNNKFRKIKGEFEEFLKNCKFLIVYAEKRKKKTAELVNEVAKIENKDEIFKEIDKVIDEALKIKNKEDFGKLMTKNHELLKKLNISTPKLDRIVDIGNRFGFGAKLTGAGGGGCVIILVNEEKEKELLKELNKEDVRIFNCRMMN,CC(O)(CCO)CC(=O)[O-],CC(O)(CCO)CC(=O)[O-],CC(O)(CCO)CC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.1627301688851597,,s_5501434741f9bcf0405706e0,test
catpreddb_km_km_38ebeafef96f58,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.3098039199714864,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_38efd0b126f491,catpred_iteration1_km,km,Q52675,Q52675,MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPTPMLEGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPQGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGADHVTPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPYLMGETDSTPKTAEWASDISGVPAETIKELARLFISKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSYHYSGGGTPSTSGPALSGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFIVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAVAERLGKGKEFTEGKDEMGWIKSFYDDAAKQGKAGGVEMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVLAEVEKYTGPAVTLTGFVAPKAAE,CS(C)=O,CS(C)=O,CS(C)=O>>,public_strict_iteration1_fulltrue_msa,,-2.0132282657337552,,s_40f832a68f29dbf50e94d9c3,test
catpreddb_km_km_38fe678b9d62df,catpred_iteration1_km,km,A0A0M3KL09,A0A0M3KL09,PSKAFETLPNIYLVGPMGAGKTTVGRHLAELLGREFLDSDHEIERKTGATIPWIFEKEGEVGFRTRETVVLNELTSRKALVLATGGGAITQAPNREFLKQRGIVVYLYTPVELQLQRTYRDKNRPLLQVENPEQKLRDLLKIRDPLYREVAHYTIETNQGAARDLAQKILQLILSNKLK,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.8326826652518239,,s_1f7d13c47bf7e5592b79862e,test
catpreddb_km_km_39011cd24e6c70,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.7160033436347992,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_39049abd102065,catpred_iteration1_km,km,F6IXY6,F6IXY6,MKVIVIGCTHAGTAAVNQILASNPETDVTIYERNDNVSFLSCGIALYLGGEVADPQGLFYSSPEQLAKLGANVHMQHDVTDVDTENHEITVTDLKTGESKKDYYDKLVVTTGSWPVIPPIDGIDSPNVYLCKNWTHAQSLWEAAKPAKRVIVIGGGYIGTELVEAYQKQGKEVTLIDGLPRILNKYLDKGFTDRVEKDFVDHGIKMALNQMVKGFSDDGKEVTVKTDKGSYTADMAILCVGFRPNTSLLKGKVDMNPNGSIKTNDYMQTSDPDIYGAGDSVAVHYNPTKKDAYIPLATNAVRQGTLVGLNIFKPTRKYMGTQSTSGLMLFGKTIVSSGMTLEHAQAEKVPAEAVTFEDNYRPEFMPTTKPVLMQLVYNPETREILGAQFMSEHDVSQSANVISVMIQNHNTIDDLGFVDMFFQPIYDRPFNYLNLLGQAAIAHAAEKVTE,N=C(O)C1=CN(Cc2ccccc2)C=CC1,N=C(O)C1=CN(Cc2ccccc2)C=CC1,N=C(O)C1=CN(Cc2ccccc2)C=CC1>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_ff0e45f2a0a3549e1b2abf1d,test
catpreddb_km_km_3916931654af02,catpred_iteration1_km,km,K0JCW6,K0JCW6,MRYRQVHLDFHTSEHISDIGRNFSKKNFQEMLQLGHVNSITVFAKCHHGWAYFPSATNEIHPRLDFDLLGAQIEAAHEIGVKVPIYISVGFDEKLAWEKPQWLMRDEADRMNWVDSFMKPGYHQFCLNTPYLDLVIEQVQEVVRKYDGDGIFLDIVGERTCYCTTCLKQMQADGLDPHNKEDVIANGRRIYANYTTRIREAIDAIKPGLPVFHNAGHIHQGRRDLMGMNSHLELESLPTGGWGYDHFPLSARYAQPTGFHFLGMTGKFHTFWGEFGGYKHPNALRYETALSLANGARCSIGDQLHPGGQMDRATYELIGKAYAEVEAKEAWCVNAVNLADVALLTVEAAGVQQESGAMYSGKVDMGAVRMLLEGKILFDIVDLESDWSGYKVLILPDSIVMKDTILPKVEAFLAAGGKVLASGRSGLNVELTRQMLPLGFTDSGLNPFRPDYFRPLCDGMANLGEAAYVMYGDGRRIELTDGTELGRREDPYFNRQAFRFCSHQHAPSSEQEGGPGMVESAQGIYIAWNVFEDYATKGSLILKEMVLFALRRLLGEQITLKTTLPAQGVTTLQHQAAERRYINHLLYASPVKRGERVEIIEDMIPLQQVEVQLQLPVTDVKRVYLAPQMTEIEFKASGGDVQFTVPQLECHQMVVVEYNE,C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2839966563652008,,s_ef86715f7d65e1c9bfe31e6d,test
catpreddb_km_km_3916a3e322cbde,catpred_iteration1_km,km,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,O=C(O)CCC(O)C(=O)O,O=C(O)CCC(O)C(=O)O,O=C(O)CCC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0152998609829755,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_km_km_391f93187bbb72,catpred_iteration1_km,km,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-1.3098039199714864,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_km_km_3922ed8b2fe716,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.744727494896694,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_3943ccd2dc433f,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0087739243075051,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_39651657303bf8,catpred_iteration1_km,km,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2676062401770315,,s_2bf532d075628659b9957308,test
catpreddb_km_km_3989f20e6d52bf,catpred_iteration1_km,km,Q5I6B5,Q5I6B5,MEKIEVSIISRDTIKPSAASSSLHPYKLSIIDQFTPTTYFPVIFFYPITDRVFNLPQTLTDLKNTVSQALTLYHPLSGRIKNNLYIDDFEAGIPYLEARVNFHMIDFLRLPKIEWLNEFVPMAPYRKETISEFLPLLGIQVNIFDSGIAIGVSFSHKINDGQTASCFLKSWVAIFRGYRNKIIHPNLSQAALLLPSRDDLPEKYVAMMERMWFGEKKVVTRRFVFDAKAISALQDEGKSEYVPKPSRVQALTGFLWKHQLAASRALSSGTSTRFSVASQTVNLRSKMNMKTTLDNAIGNIFLWASARLDLNDTAPGSSDLKLCDLVNLLNESIKEFNSDYLEILKGKEGYGGMCDLLDFMEEGSFVEPAPEFYSFSSWTRFFDQVDFGWGRPSWVGFSGRVETRNFTIFVETQCDDGIDAWVTVDEKQMAMLEQDPQFLAFASPNPRISIASSVGMD,OCc1ccccc1,OCc1ccccc1,OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.1875207208364631,,s_c7bbaddd8533855138d88c4c,test
catpreddb_km_km_3997ed1dec75f6,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCC1CCC(=O)O1,CCCC1CCC(=O)O1,CCCC1CCC(=O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_39ad4da83e7995,catpred_iteration1_km,km,Q924C3,Q924C3,MERDGEQAGQGPRHGPAGNGRELESPAAASLLAPMDLGEEPLEKAERARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKAHNDCCINYSSVCQEKKSWVEEACETIDAPQCPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVRSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSYERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDHIVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTEVPETYYSFNYEALAKNLSCRETNQHFRPYLKHFLPKRLHFAKNDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNESHGSLNHLLKKPIYTPSHPKEESFLSQCPIKSVSSDLGCTCDPSIVPIMDFEKQFNLTTDAVEDVYSMTVPNGRPRNLQKQHRVCLLHQQQFLTGYSLDLLMPLWTSYTFLSNDQFSTDDFSNCLYQDLRIPLSPMHKCSYYKSTSKLSYGFLTPPRLNRVSRQIYSEALLTSNIVPMYQSFQVIWQYLHDTVLRRYAQERNGVNVVSGPVFDFDYDGRYDSSEILKQNTRVIRSQENLIPTHFFIVLTSCKQLSESPLKCTALESSAFLLPHRPDNIESCTHGKQESAWVEELLALHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1079053973095195,,s_62d5a3f405a9bb37c7be487b,test
catpreddb_km_km_39b15cc67a6141,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCC/C=C\CCCCCCCC(=O)[O-],CCCCCC/C=C\CCCCCCCC(=O)[O-],CCCCCC/C=C\CCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_39d233c590c8f3,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.489405350465031,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_39e0fb56ebc880,catpred_iteration1_km,km,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1,CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1,CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@H](N)C[C@@H]2N)O1>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_km_km_39e9366136c8a4,catpred_iteration1_km,km,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,CCC(=O)OCC(COC(=O)CC)OC(=O)CC>>,public_strict_iteration1_fulltrue_msa,,1.146128035678238,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_km_km_39fc06e7c2585a,catpred_iteration1_km,km,Q8KQL6,Q8KQL6,MKVLLYSQKQSMLKKSGIGRAFYHQKRALEAVGIEYTTDPKDTYDLVHVNIAHSNKIKKFRKKYPVIVHGHSTVQDFRRSFAFWRVIAPFFYKHLQNIYGIADLIITPTRYSKFLIESMHVVKSPVVALSNGIDLDAYEYKQENVDAFRKHFDLEPNQKVVIGVGLLFERKGIHDFIEVARTMPNVTFIWFGNLSKLATTHFIRKRIKNKPKNMIMPGYVDGAVIKGAFSGADCVFFPSYEETEGIVVLEGLASKTPVVLRDIPVYYDWLFHKEHVLKGHNNFEFSKLIEKVLHEDQTEMIENGYKIVQDRSIEKIGEGLKQAYQEVIKIKR,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_f54699c2adf95cb7963676f9,test
catpreddb_km_km_3a0cbfade31755,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.136677139879544,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_3a18c44a8177d0,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(S)CCc1ccccc1,O=C(O)CN=C(S)CCc1ccccc1,O=C(O)CN=C(S)CCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.42021640338319,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_3a2bbbd6674dba,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_3a3b4890760f55,catpred_iteration1_km,km,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.882728704344236,,s_75fd08e1a005c55cbd677978,test
catpreddb_km_km_3a43ca1ac88042,catpred_iteration1_km,km,A0A2J9QFK1,A0A2J9QFK1,MAKKLLGIDLGGTSIKFGILTLDGQVQEKWAIETNILEDGKHIVPDIVSSIKHRLGLYNLTKEDFVGIGMGSPGAVDRNLKTVTGAFNLNWAATQEVGTIIEAELGIPFAIDNDANVAALGERWVGAGNNNPDVVFVTLGTGVGGGIIADGNLIHGVAGAGGEIGHIIVEPDTGFECTCGNKGCLETVASATGVVRVARHLAEEYEGISSIKAGIDNGDDVSSKDIFVAAQAGDKFANSVVEKVTFYLGLATANISNILNPNTVVVGGGVSAAGEFLRSHIESYFKLYAFPQVKQSTKIKIAELGNDAGIIGAASLAHQFLES,[Mg+2],[Mg+2],[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,0.5740312677277188,,s_a668980814b2775a4189bbf4,test
catpreddb_km_km_3a4cc5b1413410,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_3a51375f2fbb8f,catpred_iteration1_km,km,Q9UVQ5,Q9UVQ5,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSISTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-2.2541091122079173,,s_7be56673c21fd425bdc26c98,test
catpreddb_km_km_3a6bafc0d22cb2,catpred_iteration1_km,km,Q9T003,Q9T003,MSSDQLSKFLDRNKMEDNKRKVLDEEAKASLDIWKYVFGFADIAAAKCAIDLKIPEAIENHPSSQPVTLAELSSAVSASPSHLRRIMRFLVHQGIFKEIPTKDGLATGYVNTPLSRRLMITRRDGKSLAPFVLFETTPEMLAPWLRLSSVVSSPVNGSTPPPFDAVHGKDVWSFAQDNPFLSDMINEAMACDARRVVPRVAGACHGLFDGVTTMVDVGGGTGETMGMLVKEFPWIKGFNFDLPHVIEVAEVLDGVENVEGDMFDSIPACDAIFIKWVLHDWGDKDCIKILKNCKEAVPPNIGKVLIVESVIGENKKTMIVDERDEKLEHVRLMLDMVMMAHTSTGKERTLKEWDFVLKEAGFARYEVRDIDDVQSLIIAYRS,CC(O)=NCCc1c[nH]c2ccc(O)cc12,CC(O)=NCCc1c[nH]c2ccc(O)cc12,CC(O)=NCCc1c[nH]c2ccc(O)cc12>>,public_strict_iteration1_fulltrue_msa,,-0.4868396181547729,,s_fe6f536e74ae55ae1967f705,test
catpreddb_km_km_3a6c07bb6f680e,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,CC(=O)C=O,CC(=O)C=O,CC(=O)C=O>>,public_strict_iteration1_fulltrue_msa,,4.0,,s_451a9f71732397357584e474,test
catpreddb_km_km_3a74d48a2cb07b,catpred_iteration1_km,km,Q9LBV3,Q9LBV3,MTDRQGLLTDRIALITGASSGIGAAQRGLFAREGAAVVVTARREERLAGLVDELRAQGARAAYVVADVTRSEDAVRAVEFTVERFGRLDAAFNKRRHGAGRTPLHLMDDPVYDDIMDTNVRGVFNCLRPEIAAMLASGAGGSIVNTSSTGGLVATPVAAPYVVSKHAVLGLTKGPAAEYGAHGIRVNAIAPGTTRSEMVADWFAQNPDAEELLHRATPQPRTAEPQEIAEAAAWLCSERASFVTGSTLVVDGGFTIL,CC(C)CCCC(=O)C1C(=O)OC[C@H]1CO,CC(C)CCCC(=O)C1C(=O)OC[C@H]1CO,CC(C)CCCC(=O)C1C(=O)OC[C@H]1CO>>,public_strict_iteration1_fulltrue_msa,,-1.9546770212133424,,s_f95c92701a3efa3d0230916d,test
catpreddb_km_km_3a88560075bdaa,catpred_iteration1_km,km,A0A2U9N624,A0A2U9N624,MGSESLVHVFLVSFIGQGHVNPLLRLGKRLAAKGLLVTFCTAECVGKEMRKSNGITDEPKPVGDGFIRFEFFEDRWAEDEPMRQDLDLYLPQLELVGKEVIPEMIKKNSEQGRPVSCLINNPFIPWVCDVAESLGLPSAMLWVQSAACLAAYYHYYHGLVPFPSESDMFCDVQIPSMPLLKYDEVPSFLYPTSPYPFLRRAILGQYGNLEKPFCILMDTFQELESEIIEYMACLCPIKAVGPLFKNPKAQNAVRGDFMKADDSIIGWLDTKPKSSVVYISFGSVVYLKQEQVDEIAHGLLSSGVSFIWVMKPPHPDSGFELLVLPEGFLEKAGDRGKVVQWSPQEKILEHPSTACFVTHCGWNSTMESLTSGMPVVAFPQWGDQVTDAKYLVDEFKVGVRMCRGEAEDRVIPREEVEKCLLEATSGPKAAEMKQNALKWKAAAEAAFSEGGSSDRNLQAFVDEVRRISASLNSKSSAVGYVKSKINGVVEYVDSKLNGKAAPVEGAKTRTNGIAKVEEPKAANGKVEIAELTPINGKVEIAGLKPINGKVELVES,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4975728800155673,,s_6a314246aab04833071d364b,test
catpreddb_km_km_3a8ef6b6d3bcd4,catpred_iteration1_km,km,Q96EM0,Q96EM0,MESALAVPRLPPHDPGTPVLSVVDMHTGGEPLRIVLAGCPEVSGPTLLAKRRYMRQHLDHVRRRLMFEPRGHRDMYGAVLVPSELPDAHLGVLFLHNEGYSSMCGHAVLALGRFALDFGLVPAPPAGTREARVNIHCPCGLVTAFVACEDGRSHGPVRFHSVPAFVLATDLMVDVPGHGKVMVDIAYGGAFYAFVTAEKLGLDICSAKTRDLVDAASAVTEAVKAQFKINHPDSEDLAFLYGTILTDGKDAYTKEPTTNICVFADEQVDRSPTGSGVTARIALQYHKGLLELNQMRAFKSSATGSVFTGKAVREAKCGDFKAVIVEVSGQAHYTGTASFIIEDDDPLRDGFLLK,O=C(O)[C@H]1NCC[C@@H]1O,O=C(O)[C@H]1NCC[C@@H]1O,O=C(O)[C@H]1NCC[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9703468762300934,,s_db09e0e0c317621e0330ddd9,test
catpreddb_km_km_3a97efb31ca964,catpred_iteration1_km,km,A0A6A5PXG6,A0A6A5PXG6,MSAVNVAPELINADNTITYDAIVIGAGVIGPCVATGLARKGKKVLIVERDWAMPDRIVGELMQPGGVRALRSLGMIQSINNIEAYPVTGYTVFFNGEQVDIPYPYKADIPKVEKLKDLVKDGNDKVLEDSTIHIKDYEDDERERGVAFVHGRFLNNLRNITAQEPNVTRVQGNCIEILKDEKNEVVGAKVDIDGRGKVEFKAHLTFICDGIFSRFRKELHPDHVPTVGSSFVGMSLFNAKNPAPMHGHVILGSDHMPILVYQISPEETRILCAYNSPKVPADIKSWMIKDVQPFIPKSLRPSFDEAVSQGKFRAMPNSYLPARQNDVTGMCVIGDALNMRHPLTGGGMTVGLHDVVLLIKKIGDLDFSDREKVLDELLDYHFERKSYDSVINVLSVALYSLFAADSDNLKALQKGCFKYFQRGGDCVNKPVEFLSGVLPKPLQLTRVFFAVAFYTIYLNMEERGFLGLPMALLEGIMILITAIRVFTPFLFGELIG,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.869666231504994,,s_1b749f7d087a5ec8f24d8b69,test
catpreddb_km_km_3aa4f75ed03623,catpred_iteration1_km,km,Q5MY95,Q5MY95,MGLSRKEQVFLALLGASGVSGLTALILLLVEATSVLLPTDIKFGIVFDAGSSHTSLFLYQWLANKENGTGVVSQALACQVEGPGISSYTSNAAQAGESLQGCLEEALVLIPEAQHRKTPTFLGATAGMRLLSRKNSSQARDIFAAVTQVLGRSPVDFWGAELLAGQAEGAFGWITVNYGLGTLVKYSFTGEWIQPPEEMLVGALDMGGASTQITFVPGGPILDKSTQADFRLYGSDYSVYTHSYLCFGRDQMLSRLLVGLVQSRPAALLRHPCYLSGYQTTLALGPLYESPCVHATPPLSLPQNLTVEGTGNPGACVSAIRELFNFSSCQGQEDCAFDGVYQPPLRGQFYAFSNFYYTFHFLNLTSRQPLSTVNATIWEFCQRPWKLVEASYPGQDRWLRDYCASGLYILTLLHEGYGFSEETWPSLEFRKQAGGVDIGWTLGYMLNLTGMIPADAPAQWRAESYGVWVAKVVFMVLALVAVVGAALVQLFWLQD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.8241115063411182,,s_3f20c11685a86dff6e99cdf7,test
catpreddb_km_km_3ad571b2462c49,catpred_iteration1_km,km,O08467,O08467,MNEIKGIERAVQVEVPRPRFLLLAFTDINGSLKGMEIPMERYEEAVEDGVSFDGSSIPGFEGIEDSDLIFKADPSTYAEIPWEGIGRVYGYIYKGDEPYQADPRGILKRVLERLEKEGLKAHIGPEPEFYIFKKNGTWELHIPDSGGYFDLVGLDKAREIRREIALYMPYLGLKPEVLHHEVGKAQHEIDFRYDEALRTADNIVSFKHVVKAVAELHGYYATFMPKPIYGFPGNGMHLHISLWKDGENVFIGEDGLSDTALHFIGGILKHAKALAALTNPTVNSYKRLVPGYEAPVYISWGYRNRSALIRVPAFKGSGARIEYRCPDPSANPYLALAGILMVGLDGIKKKVEPDSYVETNVYEMDDAERERLGIDTLPGSLGEALEELKKDKTVREALGGAYKNFIDYKEREWEEYIEYLSSRDIPIDTKKVTEWELERYFYV,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.3710678622717365,,s_65f56d67ce4d07a65643cb4e,test
catpreddb_km_km_3ae2ccc83ddc87,catpred_iteration1_km,km,Q42707,Q42707,MAAQLGLPLVSCHRGASQAASSSAHLVPGASAIMQAGNRRQKMRAPALRDRVVFARVVPVDGSVGFAGSSTEQETAVESATPTAVPSKVVLGRSSFPRGFIFGAASAAYQVEGAWNEGGRGPSIWDTFTHDHPEKIADHSNGDKATDSYKKYKEDVKLLKDLGLDSYRFSISWSRILPKGTLQGGINQEGIQYYNDLINELLKNGIRPMVTLFHWDVPQALEDSYKGFRSSEIVNDFKDYADICFKEFGDRVKHWITLNEPWSLSTMGYAFGRHAPGRCSTWYGCPAGDSANEPYEVTHNLLLAHANAVKIYRDNYKATQNGEIGITLNSLWYEPYSKSHEDVEAATRALDFMFGWYMDPLVNGDYPFIMRALVRDRLPFFTHAESELIKGSYDFIGINYYTSNYAQHAPVTEDHTPDNSYFDSYVNQSGEKNGVPIGPLQGSWIYFYPRGLKELLLYVKRRYCNPKIYITENGTAEVEKEKGVPLHDPERKEYLTYHLAQVLQAIREGVRVKGHFTWALTDNFEWDKGYTERFGLIYIDYDKDFNRQPKDSTKWFSKFLRT,CC(CCC1(O)O[C@@H]2CC3[C@@H]4CC=C5CC(OC6O[C@H](CO)[C@@H](O)[C@H](OC7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)CCC5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)C(O)[C@@H]1O,CC(CCC1(O)O[C@@H]2CC3[C@@H]4CC=C5CC(OC6O[C@H](CO)[C@@H](O)[C@H](OC7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)CCC5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)C(O)[C@@H]1O,CC(CCC1(O)O[C@@H]2CC3[C@@H]4CC=C5CC(OC6O[C@H](CO)[C@@H](O)[C@H](OC7O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@H]6O[C@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)CCC5(C)[C@@H]4CC[C@]3(C)[C@@H]2[C@H]1C)CO[C@@H]1O[C@H](CO)[C@H](O)C(O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_fe3391ce156f285d4d313a6d,test
catpreddb_km_km_3af70a177cad2d,catpred_iteration1_km,km,A0A2J9QFK1,A0A2J9QFK1,MAKKLLGIDLGGTSIKFGILTLDGQVQEKWAIETNILEDGKHIVPDIVSSIKHRLGLYNLTKEDFVGIGMGSPGAVDRNLKTVTGAFNLNWAATQEVGTIIEAELGIPFAIDNDANVAALGERWVGAGNNNPDVVFVTLGTGVGGGIIADGNLIHGVAGAGGEIGHIIVEPDTGFECTCGNKGCLETVASATGVVRVARHLAEEYEGISSIKAGIDNGDDVSSKDIFVAAQAGDKFANSVVEKVTFYLGLATANISNILNPNTVVVGGGVSAAGEFLRSHIESYFKLYAFPQVKQSTKIKIAELGNDAGIIGAASLAHQFLES,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_a668980814b2775a4189bbf4,test
catpreddb_km_km_3b13e58ae6853d,catpred_iteration1_km,km,P32811,P32811,MEGGAKSNDVSAAPIAQPLSEDPTDIASNIKYHAQYTPHFSPFKFEPLQAYYAATADSVRDRLIKQWNDTYLHYDKVNPKQTYYLSMEYLQGRALTNAVGNLDIHNAYADALNKLGQQLEEVVEQEKDAALGNGGLGRLASCFLDSMATLNLPAWGYGLRYRYGLFKQLITKAGQEEVPEDWLEKFSPWEIVRHDVVFPIRFFGHVEVLPSGSRKWVGGEVLQALAYDVPIPGYRTKNTNSLRLWEAKASSEDFNLFLFNDGQYDAAAQLHSRAQQICAVLYPGDATENGKLLRLKQQFFLCSASLQDIIARFKEREDGKGSHQWSEFPKKVAIQLNDTHPTLTIPELMRLLMDDEGLGWDESWNITTRTIAYTNHTVLPEALEKWSQAVMWKLLPRHMEIIEEIDKRFVATIMSERPDLENKMPSMRILDHNATKPVVHMANLCVVSSHTVNGVAQLHSDILKAELFADYVSVWPTKFQNKTNGITPRRWIRFCSPELSHIITKWLKTDQWVTNLELLANLREFADNSELHAEWESAKMANKQRLAQYILHVTGVSIDPNSLFDIQVKRIHEYKRQLLNILGVIYRYKKLKGMSPEERKNTTPRTVMIGGKAFATYTNAKRIVKLVTDVGDVVNSDPDVNDYLKVVFVPNYNVSVAEMLIPGSELSQHISTAGMEASGTSNMKFALNGCLIIGTLDGANVEIREEIGEDNFFLFGATADEVPQLRKDRENGLFKPDPRFEEAKQFIRSGAFGTYDYNPLLESLEGNSGYGRGDYFLVGHDFPSYMDAQARVDEAYKDRKRWIKMSILSTSGSGKFSSDRTISQYAKEIWNIAECRVP,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_2800d25335d28e804e4d45a0,test
catpreddb_km_km_3b2bc651a58c9a,catpred_iteration1_km,km,G9J616,G9J616,MIRPLSLPLPLLRCPAPARLSRPPPPPPPPTQGNCRLLRAHGRPQRHRRRPRSSSGASASLSVSGPEMDPAARKDLYPHVEPFDTGRLRVSDVHTIYYEQSGNPGGHPVVFLHGGPGAGTSPGNRRFFDPEFYRIVLFDQRGAGKSTPHACLEENTTWDLVADIEKLRQHLDIPEWQVFGGSWGSTLALAYSQTHPDKVTGIVLRGIFLLRKKELDWFYEGGAAAVFPDAWEPFRDFIPEDERNCFIAAYSKRLTSSDADVQIEAAKRWTTWEMMTAHLLQNHENIKRGEDDKFSLAFARIENHYFINKGFLDSDSHLLDNVDKIRHIKTFIVQGRYDMCCPMMSAWDLHKAWPEAEFKVVPDAGHSANEVGVAAELVSATEKLKSMLKK,OC(=Nc1ccc2ccccc2c1)[C@@H]1CCCN1,OC(=Nc1ccc2ccccc2c1)[C@@H]1CCCN1,OC(=Nc1ccc2ccccc2c1)[C@@H]1CCCN1>>,public_strict_iteration1_fulltrue_msa,,-1.1106982974936896,,s_273b19fe536463f3d0c80bc7,test
catpreddb_km_km_3b4ac047ff9f68,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO>>,public_strict_iteration1_fulltrue_msa,,-2.3767507096021,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_3b6c59ff14c6ca,catpred_iteration1_km,km,A8IW39,A8IW39,MQLNVRSTASGARSSTRSRRMTAVVQAVAQRAGTIDVQRNENFGKLRAGYLFPEIARRRKAHQEKNPDAKIISLGIGDTTEPLPKYIADAMAKAAAGLATREGYSGYGAEQGQGALREAVASTFYGHAGRAADEIFISDGSKCDIARIQMMFGSKPTVAVQDPSYPVYVDTSVMMGMTGDHNGTGFDGIEYMVCNPDNHFFPDLSKAKRTDIIFFCSPNNPTGAAATRAQLTELVNFARKNGSILVYDAAYALYISNPDCPKTIYEIPGADEVAIETCSFSKYAGFTGVRLGWTVVPKALKYANGEPVHADWNRVMTTCFNGASNIVQAGGLACLQPEGLKEMNAMIKFYKENAQILKTTFTEMGFSVYGGDDAPYIWVGFPGKPSWDVFAEILERCNIVTTPGSGFGPAGEGFVRASAFGSRENILEAVRRFKEAYGKRN,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_2105e8461c2d2ae046198893,test
catpreddb_km_km_3b8c927f9d2bfd,catpred_iteration1_km,km,P14299,P14299,MKDMGEDRPGIGHSTNLVGLPTDLLASAWFNQAAPEIHIAGVREMNRSLFEMLAEAPDLESAGEAFYKYMIAMFGLDPEQQDHRPGQGGAVRRFHASYLRLLKGWGYDTNAKEGAVLKGWVESRFGLFPTFHREPITKFASKAWITYIEEKMTSRFHNNSIYVQLDLMYEFCQWALARFAAPGESALLLYRGVNDFTEHQMIERIDNRQVVVRMNNLVSFSSDRGVADCFGDTILETRVPVSKIVFFNTLLTSHPLKGEGEYLVIGGDYLVKASYL,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1>>,public_strict_iteration1_fulltrue_msa,,0.9030899869919436,,s_5e9f31e94fc9501b6ba74821,test
catpreddb_km_km_3b9c6417ee459f,catpred_iteration1_km,km,B9X0T8,B9X0T8,MTKILLMLALALGAAGLRWPAAVPQRRATSGRAAGARLERAVGPVAVAPVEAPSVSRSSESAVDAMRGAAEAPSPFKKLMAANRAEIAVRIMRAATELNVATVAIYGYEDRFSQHRWGADQSFQLEKKDPADAAVRAYLDIEQIVALAKREGVDAIHPGYGFLSESPEFAQACSDAGITFVGPTVANLKTFSDKTTARVAAIAADVPVVPGTDEPVTTEAGARAFVEEYGLPVIIKAAMGGGGKGMRLVRDMEELGASFASASTEAEAAFGDGSVFLERYIESPRHIEVQIIGDGKGGAVHLCERDCSVQRRYQKVVEIAPAWSLDPALRNKLHEDSLRLMRSAKYLNAGTVEFLVDGEGRHYFIEVNPRIQVEHTVTEEVTGIDLVQAQMRIASGASFEEVGLVQDQIQARGIAVQCRVTTENPERNFAPDTGTLSVYRHSAGYGMRQDGIGYSGMTVTPYYDSLLVKYTARGSNWGEVIRRMTRALQEARIRGVKTNITGDITDPSKGKYTLDYYLEYARQLAQLGVHSIAIKDMAGLLKPRAAALLVGAIRKELPDMLIHVHSHDTAGNSLASMLSAAEAGADVVDVAIDSMSGITSQPSLGALAAATAGSELDIGVRPQDLEPLNSYWEQVRSLYAPFESGQLSGSSDVYRNEIPGGQYTNLLFQASQLGLGDQWVEVKRKYAQANLLLGDIPKVTPSSKVVGDLAQLMVAQKLEPDQLIEQAESLAFPDSVVSYFQGGIGLPPGGFPEPLRSKVLKGRSLEDGRAAYDGRPGATMKPYDFDKELGLLQASYPSNKGERDALSYALYPQVFRDWQEHRAVYGEVEALPTEAFLHPMAVGDEVEFATEPGRSWIVKLVSVPKPDENGQTQVIMELNGERWFVPVTDNSVQSATAREKAGGSPGSVGSPMPGVVVDVKVKPGDTIREGEPLVVLSAMKMETAIPAPASGVVERLLVSAGDKVEGDDLLAQIGEGAPKEEGGSSAKGGLFSSLFKGSGE,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_7ac5240f7b1968c266bede9a,test
catpreddb_km_km_3baacf6249ac1f,catpred_iteration1_km,km,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,CCCCCCCCCCCCCC=CC(O)C(N)CO,CCCCCCCCCCCCCC=CC(O)C(N)CO,CCCCCCCCCCCCCC=CC(O)C(N)CO>>,public_strict_iteration1_fulltrue_msa,,-0.7282303619807837,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_km_km_3bade6f9a3569f,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(O)nc4=O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(O)nc4=O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(O)nc4=O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.1739735758759475,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_3bbe0dd5777d44,catpred_iteration1_km,km,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9562869165810628,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_3bca7603d48ca3,catpred_iteration1_km,km,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,COc1cc(/C=C/C(=O)O)ccc1O,COc1cc(/C=C/C(=O)O)ccc1O,COc1cc(/C=C/C(=O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.1631697135111212,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_km_km_3bd6de3b565cf8,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-3.086186147616284,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_3bddadc6a6250e,catpred_iteration1_km,km,O82390,O82390,MNARALLCSSNIHSLYTSNRPPEKTSSSRSLRNLKPSPKSLRVWIYPRNRSSVFRVLVRSSDKSESSNSYYVEGDKVSGNNDVVSDSPSSIVLPWWEEFPKRWVIVLLCFSAFLLCNMDRVNMSIAILPMSAEYGWNPATVGLIQSSFFWGYLLTQIAGGIWADTVGGKRVLGFGVIWWSIATILTPVAAKLGLPYLLVVRAFMGVGEGVAMPAMNNILSKWVPVQERSRSLALVYSGMYLGSVTGLAFSPFLIHQFGWPSVFYSFGSLGTVWLTLWLTKAESSPLEDPTLLPEERKLIADNCASKEPVKSIPWRLILSKPPVWALISCHFCHNWGTFILLTWMPTYYHQVLKFNLMESGLLSVFPWMTMAISANAGGWIADTLVSRGFSVTNVRKIMQTIGFLGPAFFLTQLKHIDSPTMAVLCMACSQGTDAFSQSGLYSNHQDIAPRYSGVLLGLSNTAGVLAGVLGTAATGHILQHGSWDDVFTISVGLYLVGTVIWNLFSTGEKIID,[Na+],[Na+],[Na+]>>,public_strict_iteration1_fulltrue_msa,,0.0681858617461616,,s_df9208657a27ec809774ea85,test
catpreddb_km_km_3bf377d160516c,catpred_iteration1_km,km,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_d45caf713d065ae4220c2800,test
catpreddb_km_km_3c065b7101de98,catpred_iteration1_km,km,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CCl)C(=O)O,N[C@@H](CCl)C(=O)O,N[C@@H](CCl)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3263358609287514,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_3c25eeed1fe05e,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.4436974992327127,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_3c437f64af50b3,catpred_iteration1_km,km,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,C[C@H](N)CC(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)CC(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)CC(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.7212463990471711,,s_0c3e58e911f51068e88986ab,test
catpreddb_km_km_3c5389dcf9bc75,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,CC(O)=Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,CC(O)=Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_3c53a663041f51,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.017728766960432,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_3c56ffa6ed56bc,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.6919651027673603,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_3c5ae851d78608,catpred_iteration1_km,km,Q5LRT0,Q5LRT0,MLGQMMYQPLLISSLIDHAARYHGEAQIWSVSTEGGVEETNWAGIADNARRLGSVLTDAGLAPQSRVATLAWNNRRHLEIYYGVSGAGFVLHTINPRLFPEQLVYILNHAEDRILFFDATFLPLVEGIRPHLTTVERLVLMGPRDEAAAARIEGLEFYDEFVATGDAGFDWPDLDERTASSLCYTSGTTGNPKGVLYSHRSTVLHSFGSNTRDCIGFSARDVVMPVVPMFHVNAWGTPYACAMSGSCMVLPGPDLHGEALVGLIDRYRVTIALGVPTIWQGLLATARAKGSTLESLTRTVIGGAACPPSMIAEFRDRYGVDTVHAWGMSEMSPLGTTNQPLAKHGALPIEAQHKLRENQGRPPYGVELKIVDDDGNTLPNDGQTQGDLMVRGHWVLDSYFQLQDQPILSDGWFATGDVATLDRDGYMTIRDRSKDIIKSGGEWISSVELENIAVAHPKLATAAVIGVPHPKWDERPLLVAVKAEGETPDEAELLAFFDGKIAKWQVPDRVVFVEALPLNATGKVLKRTLREQFRDVLTG,CCC(=O)[O-],CCC(=O)[O-],CCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.4927603890268375,,s_a5f87fece84bb75d5e29c14c,test
catpreddb_km_km_3c60f580e88f4e,catpred_iteration1_km,km,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.1015741254750564,,s_b8c0da372cb95f619176f62b,test
catpreddb_km_km_3c689bc8758288,catpred_iteration1_km,km,E9LVI0,E9LVI0,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.7772835288524167,,s_622f654e005640bab6abcb8a,test
catpreddb_km_km_3c70375f285dfe,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8124792791635369,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_3ca1596fba2d2d,catpred_iteration1_km,km,P04798,P04798,MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS,COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1,COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1,COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1>>,public_strict_iteration1_fulltrue_msa,,-2.512063252903799,,s_716474a92aa109ca90555f9e,test
catpreddb_km_km_3ca2f95c969e08,catpred_iteration1_km,km,A0A228BX09,A0A228BX09,MPPPPEVSPVTGNPVSPHYIHSSTLHFQDVNGRSLVLRGVNLSGSAKHPNNQPSHIREGFWETAEAGKGDFINKPLNLDDGSADLHLARLKAWGYNLLRYVFTWESLEHAGPKEYDYAYMDYIIAVLRKCKEWGFRVFMDPHQDVWSRFTGGSGAPLWTLYACGIDPYHLTATAAAYLHCEWPSAESPKPQDFPAMIWGTNYTHLANQTIWTFFFAGKTYAPKCIIDGKNIQDFLQDHFIDAVGELAKRIAEEAGDLLDECVIGWDSINEPGEGLIGCKDLAVIPAEQQLKKGPSPTPIEGMRLGMGEAQDVQAWNFGPMGPYRGSRQTIDPKGVKLWLSKEDDVKRGSGKWGWTRGKEWALGTCIWAHHGVWEIATSTLLRPDYFSTLPTNPGHQVDFVDDFWALHWLAYSSRIRLHHPESIHFIQAPVLRQPPKLPESFLKGRACSSPHFYDGLTLMTKHWNWFNADAIGVIRKKYWSIVQAVRIGEGPIRKMIQGELAVLKQDTIDILGNYPTLVGEIGIPYDMDDKKAYGYVDGGRGEGDYSSQQKAMDCSMNACDGPNCLNYAIWNYVPDNVHEWGDNWNGEDLSLWSVDDKEQESYHDSPRSDTPNFSTNSNSLTNSSATLTVPMSGASKLRPSPSVIDSGDFSPTLILDGSRAVAAFCRPYPVATVGIPERIDFDITSTKFKYAVRVRADDIANEQVYTEIYLPFVHYAASLNASRSAGHNPNLGQTTSTSADGDDSTVSSRQTSKVDLIEDERAIKSSDPSSVSIRSVPYSSFAQLSLDVTIVASHGRVEIQGQTLRWWYPVPGTGEEVYTIEVQRNGGALRRDLGYVQQGNFLDVCPECVIA,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0877779434675845,,s_d2a6244868eea8688e269a0b,test
catpreddb_km_km_3ca5675a1d6c0b,catpred_iteration1_km,km,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_3e77477216a36cf6ae48eafe,test
catpreddb_km_km_3cbbc0c0d449c4,catpred_iteration1_km,km,P22073,P22073,MTIFQFPQDFMWGTATAAYQIEGAYQEDGRGLSIWDTFAHTPGKVFNGDNGNVACDSYHRYEEDIRLMKELGIRTYRFSVSWPRIFPNGDGEVNQEGLDYYHRVVDLLNDNGIEPFCTLYHWDLPQALQDAGGWGNRRTIQAFVQFAETMFREFHGKIQHWLTFNEPWCIAFLSNMLGVHAPGLTNLQTAIDVGHHLLVAHGLSVRRFRELGTSGQIGIAPNVSWAVPYSTSEEDKAACARTISLHSDWFLQPIYQGSYPQFLVDWFAEQGATVPIQDGDMDIIGEPIDMIGINYYSMSVNRFNPEAGFLQSEEINMGLPVTDIGWPVESRGLYEVLHYLQKYGNIDIYITENGACINDEVVNGKVQDDRRISYMQQHLVQVHRTIHDGLHVKGYMAWSLLDNFEWAEGYNMRFGMIHVDFRTQVRTPKESYYWYRNVVSNNWLETRR,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.0,,s_926c3c81258ea31bfc2ecbee,test
catpreddb_km_km_3cc77c95b8d02c,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,CC(S)C(=O)O,CC(S)C(=O)O,CC(S)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_3cd715f1b36f04,catpred_iteration1_km,km,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,CCCCCCCl,CCCCCCCl,CCCCCCCl>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_e220e6dd4311615191e3744b,test
catpreddb_km_km_3cef9a19f827c5,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCCC/C=C/C(C)=O,CCCCC/C=C/C(C)=O,CCCCC/C=C/C(C)=O>>,public_strict_iteration1_fulltrue_msa,,-0.0268721464003013,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_3cf319cf685048,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)c(Br)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(Br)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(Br)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_3cf8532b491482,catpred_iteration1_km,km,B5ARZ9,B5ARZ9,MNLKNLIIYEAFARAYPGEKGKKFLSLEKDLERLKGMGINTVWLMPIHPTGVEGRKGTLGSPYAIRDYYEIDLLIGTKGDFKKFVKRAHELNMYVLMDMVLNHAAVDNVLVKKHPEWFLRDENGNPTRKVPDWSDVVDFDYSNGELREYMINMMRYWVEEFDVDGFRCDVAGLVPLDFWLQARKNLDPVKRLIWISETHDPYMYQAFDITYDYDGYYRFRDFIEGKNSLREYIDFLRMQDHMYPRGYIKMRFLENHDQPRVAKFLSRESLMHWIAFLFTVKGVPLVHNGQEYALKEDLDIFNEYTLPIPGEENEIFSLHRKLAHYRYKTNVFSNGEMIFIRNDQPERVISYLWRHGNRFILCVLNPLLENTSVTLDFSGIWENICIHSKNVFNDDIVRVSVKNSRAKIKVGREPLILSFVLY,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.1003705451175629,,s_c2ee9fcdf9a067adb2bd36a5,test
catpreddb_km_km_3cfbad4d58e3c8,catpred_iteration1_km,km,Q7SI97,Q7SI97,MAPKAKIVLVGSGMIGGVMATLIVQKNLGDVVMFDIVKNMPHGKALDTSHTNVMAYSNCKVSGSNTYDDLKDADVVIVTAGFTKAPGKSDKEWNRDDLLPLNNKIMIEIGGHIKNNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIVGLGGVLDTSRLKYYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVGGIPLQEFINNKKITDQELDAIFDRTINTALEIVNLHASPYVAPAAAIIEMAESYIRDLRKVLICSTLLEGQYGHKDIFAGTPLVIGGNGVEQVIELQLNADEKKKFDEAVAETSRMKALI,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2441251443275083,,s_cdd51448777a436db21c296b,test
catpreddb_km_km_3d204cb2c5be8b,catpred_iteration1_km,km,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_km_km_3d32e52574a399,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_3d360dc232cccb,catpred_iteration1_km,km,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,CCC=O,CCC=O,CCC=O>>,public_strict_iteration1_fulltrue_msa,,2.618048096712093,,s_1f8beb386de84deb2f180511,test
catpreddb_km_km_3d3970c993b48b,catpred_iteration1_km,km,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,NC(Cc1cccc(O)c1)C(=O)O,NC(Cc1cccc(O)c1)C(=O)O,NC(Cc1cccc(O)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9208187539523751,,s_20763196f05a193ee16b396c,test
catpreddb_km_km_3d3be8cc27e5dd,catpred_iteration1_km,km,Q4J8K9,Q4J8K9,MAKIYTDKDVSLDVIKEKRVAVLGYGSQGRAWALNLRDSGIKVSVGLEREGNSWKQAENDGFKPLRTEEAVRNSDIIIFLLPDMIQRTVYLERVKPYLKEGMDLVFAHGFNIHYRLIEPPSNVDVYMIAPKAPGPIVREYFAKGGGVPALVATYQDHSGKALQKALAVAKAIGATRAGVIETTFKEETETDLFGEQVDLVGGVMQLMRYAFQTLVEAGYQPEVAYFETINEMKLIVDLVYEKGFSGMLTAVSDTAKYGGMTVGKMVIDESVKERMKKALDNIRSGKFAEKWVEEYGKGANTIKEGMKEVDNSTEEKVGRSLRDIILRGKPKS,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_10a36b526837be63a11d1b7f,test
catpreddb_km_km_3d3e3d26b1cf19,catpred_iteration1_km,km,P11178,P11178,MQGSAKMAMAVAVAVARVWRPSRGLGRTGLPLLRLLGARGLARFHPHRWQQQQHFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYKSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALDDTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDLGKGRQMPVHYGCRERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGILSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHHLQSRGWWDDEQEKAWRKQSRKKVMEAFEQAERKLKPNPSLIFSDVYQEMPAQLRKQQESLARHLQTYGEHYPLDHFEK,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_6ab38fd0f667596d6f2abce4,test
catpreddb_km_km_3d435dfffb51fb,catpred_iteration1_km,km,Q9FUY7,Q9FUY7,MMMKISFNTCFQILLGFIVFIASITLLGRIFSRPSKTKDRCRQLPPGRPGWPILGNLPELIMTRPRSKYFHLAMKELKTDIACFNFAGTHTITINSDEIAREAFRERDADLADRPQLSIVESIGDNYKTMGTSSYGEHFMKMKKVITTEIMSVKTLNMLEAARTIEADNLIAYIHSMYQRSETVDVRELSRVYGYAVTMRMLFGRRHVTKENMFSDDGRLGKAEKHHLEVIFNTLNCLPGFSPVDYVDRWLGGWNIDGEEERAKVNVNLVRSYNNPIIDERVEIWREKGGKAAVEDWLDTFITLKDQNGNYLVTPDEIKAQCVEFCIAAIDNPANNMEWTLGEMLKNPEILRKALKELDEVVGKDRLVQESDIRNLNYLKACCRETFRIHPSAHYVPPHVARQDTTLGGYFIPKGSHIHVCRPGLGRNPKIWKDPLAYEPERHLQGDGITKEVTLVETEMRFVSFSTGRRGCVGVKVGTIMMAMMLARFLQGFNWKLHRDFGPLSLEEDDASLLMAKPLLLSVEPRLASNLYPKFRP,CSCCCCCCC[C@H](N)C(=O)O,CSCCCCCCC[C@H](N)C(=O)O,CSCCCCCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4271283977995198,,s_288feb46e99335d506565a69,test
catpreddb_km_km_3d544903c72110,catpred_iteration1_km,km,P30526,P30526,MSADGLAAFLAEANEFRTIPIVRKFVADVIEPLGVFANLREEAVFLLESKDDESPWARYSFIGVAPFLTLESETGETFSVKDENGNEQITAPTLKEAFQWVERTLAVKPLAETVPFTGGAVGFLGYDFISAIEKVPRHKNRDVPMKTAYFVFCESLFAFDQKKRELLVIHYIRLSGNETEEEKIEAYRAAERRMADLAAKAARPQAEQPLLPAESESGRTASFAKAVSNYDKKQFLRDVEAVKRYIAAGDVFQAVLSQRFCVPVQAGGFAIYRLLRYINPSPYMFYFQLDGVEIVGSSPEKLIQVHRRRVEIDPIAGTRRRGRSPEEDERLADELYHDPKERAEHYMLVDLARNDIGRVAKYGTVEVPVLLQIGKFSHVMHLISKVVGELDDNVHPIDALLAAFPAGTVSGAPKVRAMQILQELEPTARGLYAGAIAYIGFDGNIDSCIAIRTAVVKDGYAYVQAGAGIVADSVPELEWKETRNKASALMNAIEQAERLFAKGERAVC,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O,C=C(O[C@@H]1C=C(C(=O)O)C=C[C@H]1O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.42021640338319,,s_962fe31f8f2adf3de722b3a8,test
catpreddb_km_km_3d6e24939027cd,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,O=C(CO)CO,O=C(CO)CO,O=C(CO)CO>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_451a9f71732397357584e474,test
catpreddb_km_km_3db72da4442716,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.096910013008056,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_3dcc7819edd260,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_37892504ee980fd328015aac,test
catpreddb_km_km_3dd7557d3ca8f0,catpred_iteration1_km,km,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,O=C(O)C(=O)COP(=O)(O)O,O=C(O)C(=O)COP(=O)(O)O,O=C(O)C(=O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0523970435513177,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_km_km_3de0f63d1da530,catpred_iteration1_km,km,Q7Z8P9,Q7Z8P9,MSNEQTFIAIKPDGVQRGLIGPIISRFENRGFKLVAMKLVSPPQSQLEQHYADLSDKPFFKGLVSYMLSGPICAMVWEGRDVVKTGRTILGATNPLASAPGTIRGDFAIDVGRNVCHGSDSVENAKKEIALWFKPEELISWKSATFDWVYEKA,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.3957739469155299,,s_cf15e7b0ad16095e703f227c,test
catpreddb_km_km_3df988f1c75b31,catpred_iteration1_km,km,Q97LM4,Q97LM4,MKKFSVVIAGGGSTFTPGIVLMLLDNMDKFPIRKLKFYDNDKERQAIVAGACEIILKEKAPEIEFLATTNPKEAFTDVDFVMAHIRVGKYAMRELDEKIPLKYGVVGQETCGPGGIAYGMRSIGGVIEILDYMEKYSPNAWMLNYSNPAAIVAEATRKLRPNSKILNICDMPIGIETRMAEILGLESRKEMTVKYYGLNHFGWWSDIRDKDGNDLMPKLKEHVKKYGYVAENGDTQHTDASWNDTFAKAKDVYAVDPSTLPNTYLKYYLFPDYVVEHSNKEYTRANEVMDGREKFVFGECKKVIENQSTKGCKMEIDEHASYIVDLARAISYNTHERMLLIVPNNGSIENFDSTGMVEIPCIVGSNGPEPLTMGKIPQFQKGLMEQQVSVEKLVVEAWKEKSYQKLWQAITLSRTVPSAKVAKQILDELIEVNKDYWPELN,O=P([O-])([O-])OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)CO[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O,O=P([O-])([O-])OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)CO[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O,O=P([O-])([O-])OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)CO[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0861861476162833,,s_be4aea315c1e1fcf408ccb27,test
catpreddb_km_km_3e040752c23e87,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_3e08c2ce69e10b,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_3e12984577ff57,catpred_iteration1_km,km,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_65b17f02c00084bc7891919d,test
catpreddb_km_km_3e630c7c625c6a,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.487183244469651,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_3e695d311a4080,catpred_iteration1_km,km,Q7Z8P9,Q7Z8P9,MSNEQTFIAIKPDGVQRGLIGPIISRFENRGFKLVAMKLVSPPQSQLEQHYADLSDKPFFKGLVSYMLSGPICAMVWEGRDVVKTGRTILGATNPLASAPGTIRGDFAIDVGRNVCHGSDSVENAKKEIALWFKPEELISWKSATFDWVYEKA,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.1303337684950061,,s_cf15e7b0ad16095e703f227c,test
catpreddb_km_km_3e6b3b4d10cacb,catpred_iteration1_km,km,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C>>,public_strict_iteration1_fulltrue_msa,,-2.3467874862246565,,s_3f380f88a54b8c0bed83425a,test
catpreddb_km_km_3e6fa5af9e1f03,catpred_iteration1_km,km,P80928,P80928,MPMFVVNTNVPRASVPDGFLSELTQQLVQAMGKPAQYIAVHVVPDQLMAFGGSSEPCALCSLHSIGKIGGAQNRSYSKLLCGLLAERLRISPDRIYINYYDMNAANVGWNGSTFA,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.8442099110013552,,s_88d8e4cd760ca6d42c4e359f,test
catpreddb_km_km_3e7107df45d179,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,NCC(=O)O,NCC(=O)O,NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1295513867822283,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_3e75983fa770c9,catpred_iteration1_km,km,B6E9W4,B6E9W4,MTTGDKAKPQSTPASGDIDQQALFFHRYPRPGKLEIQPTKPLGNQRDLALAYSPGVAAPCLAIKDDPESAADFTARSNLVAVVSNGTAVLGLGNIGPLASKPVMEGKAVLFKKFAGIDVFDIEIDAPTVERMVDVVSALEPTFGGINLEDIKAPECFEVERQLREKMEIPVFHDDQHGTAIIVAAAVLNGLELAGKDITKAKIVASGAGAAALACLNLLVTLGAKRENIWVHDLEGLVYKGREVLMDEWKAVYAQDSANRVLADSIGGADVFLGLSAAGVLKPELLAQMAEKPLIMALANPTPEIMPEVARAARPDAMICTGRSDFPNQVNNVLCFPHIFRGALDCGARTINEEMKMAAVRAIAGLAREEPSDVAARAYSGETPVFGPDYLIPSPFDQRLILRIAPAVAKAAAESGVATRPIQDFDAYLDKLNRFVFRSGFIMKPVFAAAKNAPKNRVIFAEGEDERVLRAAQVLLEEGTAKPILIGRPQIIETRLRRYGLRIRPDVDFEVVNPEGDPRYRDYVDEYFALVGRLGVIPEAARTIVRTNTTVIGALAVKRGEADALICGVEGRYSRHLRDVSQIIGKKPGVLDFSALSLLISQRGATFFTDTYVSYNPSAEEIAQTTVMAAGEIRRFGITPHAALVSHSNFGSRESESAAKMRAALKLVRELAPDLEVDGEMHGDAAISETLRERVMPNSTLKGEANLLVFPNLDAANITLGVVKTMTDSLHVGPILLGSALPAHILSPSVTSRGVVNMAALAVVEASHPA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.9956786262173574,,s_790e3b8aa3d58c531675d543,test
catpreddb_km_km_3eaf4181e30d4a,catpred_iteration1_km,km,Q54116,Q54116,MRVLVTGGAGFIGSHYVRQLLGGAYPAFAGADVVVLDKLTYAGNEENLRPVADDPRFRFVRGDICEWDVVSEVMREVDVVVHFAAETHVDRSILGASDFVVTNVVGTNTLLQGALAANVSKFVHVSTDEVYGTIEHGSWPEDHLLEPNSPYSAAKAGSDLIARAYHRTHGLPVCITRCSNNYGPYQFPEKVLPLFITNLMDGRRVPLYGDGLNVRDWLHVTDHCRGIQLVAESGRAGEIYNIGGGTELTNKELTERVLELMGQDWSMVQPVTDRKGHDRRYSVDHTKISEELGYEPVVPFERGLAETIEWYRDNRAWWEPLKSAPDGGK,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-1.469800301796918,,s_213bbd42cf1cb8794df441b4,test
catpreddb_km_km_3ebb8ecd20f172,catpred_iteration1_km,km,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,CCSC[C@H](N)C(=O)O,CCSC[C@H](N)C(=O)O,CCSC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8633228601204559,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_km_km_3ec75f9863f36a,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.3098039199714864,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_3edcf65a349686,catpred_iteration1_km,km,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,N=O,N=O,N=O>>,public_strict_iteration1_fulltrue_msa,,-4.0,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_km_km_3edf3ad2a75964,catpred_iteration1_km,km,Q04212,Q04212,MVNEKVNPFDLASVSPLVLGGAILNQQYTDEPESIPLEDIIKYAFSHGINAIDTSPYYGPSEVLYGRALSNLRNEFPRDTYFICTKVGRIGAEEFNYSRDFVRFSVHRSCERLHTTYLDLVYLHDVEFVKFPDILEALKELRTLKNKGVIKNFGISGYPIDFITWLAEYCSTEESDIGSLDAVLSYCNLNLQNNKLLNFRERLLRNAKLKMVCNASILSMSLLRSQETRQFHPCSHELRECASQAAKYCQEQNVDLADLATRYAISEWVGKGPVVLGVSSMEELKLALDNYEIVKSNGNRLSSKDGQLVEYIQKNIFKEHFNEEWSSGIPHPEMI,OC[C@H]1OC(O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1079053973095195,,s_1b480b479e86e0133ff3f910,test
catpreddb_km_km_3ee55db55cb23b,catpred_iteration1_km,km,Q76IQ9,Q76IQ9,MKYGYFDNDNREYVITRPDVPAPWTNYLGTEKFCTVISHNAGGYSFYNSPEYNRVTKFRPNATFDRPGHYVYLRDDDSGDYWSISWQPVAKSLDEAQYQIRHGLSYSKFQCDYNGIHARKTLFVPKGEDAEIWDVVIKNTSDQVRTISAFSFVEFSFSHIQSDNQNHQMSLYSAGTAYRPGLIEYDLYYNTDDFEGFYYLASTFDPDSYDGQRDRFLGLYRDEANPLAVEQGRCSNSAQTCYNHCGSLHKQFTLQPGEEIRFAYILGIGKGNGERLREHYQDVANIDAAFAAIKAHWDERCAKFQVKSPNQGLDTMINAWTLYQAETCVVWSRFASFIEVGGRTGLGYRDTAQDAISVPHANPEMTRKRIVDLLRGQVKAGYGLHLFDPDWFDPEKEDVAPSKSPTVVPTPSDEDKIHGIKDTCSDDHLWLIPTICKYVMETGETSFFDQMIPYADGGEASVYEHMKAALDFSAEYVGQTGICKGLRADWNDCLNLGGGESSMVSFLHFWALQEFIDLAKFLGKDQDVNTYTEMAANVREACETHLWDDEGGWYIRGLTKNGDKIGTAQQQEGRVHLESNTLAVLSGLASQERGEQAMDAVDEHLFSPYGLHLNAPSFSTPNDDIGFVTRVYQGVKENGAIFSHPNPWAWVAETKLGRGDRAMKFYDALNPYNQNDIIEKRIAEPYSYVQFIMGRDHQDHGRANHPWLTGTSGWAYFAVTNYILGVQSGFTGLSVDPCIPSDWPGFEVTRQWRGATYHIQVENPDHVSKGVKSITLNGAPIQGRIPPQAQGSDNQVVVVLG,CC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C1O,CC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C1O,CC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.146128035678238,,s_d24d15431a8db96d17b3098d,test
catpreddb_km_km_3efd366c91f4cf,catpred_iteration1_km,km,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCc1ccccc1,NCc1ccccc1,NCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3467874862246563,,s_7b85f430e37427f09efb431e,test
catpreddb_km_km_3f02df5f364c50,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,O=C1C(Cl)=C(Cl)C(=O)c2ccccc21,O=C1C(Cl)=C(Cl)C(=O)c2ccccc21,O=C1C(Cl)=C(Cl)C(=O)c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_3f2a885735488c,catpred_iteration1_km,km,A2RU49,A2RU49,MSSGNYQQSEALSKPTFSEEQASALVESVFGLKVSKVRPLPSYDDQNFHVYVSKTKDGPTEYVLKISNTKASKNPDLIEVQNHIIMFLKAAGFPTASVCHTKGDNTASLVSVDSGSEIKSYLVRLLTYLPGRPIAELPVSPQLLYEIGKLAAKLDKTLQRFHHPKLSSLHRENFIWNLKNVPLLEKYLYALGQNRNREIVEHVIHLFKEEVMTKLSHFRECINHGDLNDHNILIESSKSASGNAEYQVSGILDFGDMSYGYYVFEVAITIMYMMIESKSPIQVGGHVLAGFESITPLTAVEKGALFLLVCSRFCQSLVMAAYSCQLYPENKDYLMVTAKTGWKHLQQMFDMGQKAVEEIWFETAKSYESGISM,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.0915149811213502,,s_dd249254cd4a1f1e10d048d7,test
catpreddb_km_km_3f4045fd2e3d1d,catpred_iteration1_km,km,P21953,P21953,MAVVAAAAGWLLRLRAAGAEGHWRRLPGAGLARGFLHPAATVEDAAQRRQVAHFTFQPDPEPREYGQTQKMNLFQSVTSALDNSLAKDPTAVIFGEDVAFGGVFRCTVGLRDKYGKDRVFNTPLCEQGIVGFGIGIAVTGATAIAEIQFADYIFPAFDQIVNEAAKYRYRSGDLFNCGSLTIRSPWGCVGHGALYHSQSPEAFFAHCPGIKVVIPRSPFQAKGLLLSCIEDKNPCIFFEPKILYRAAAEEVPIEPYNIPLSQAEVIQEGSDVTLVAWGTQVHVIREVASMAKEKLGVSCEVIDLRTIIPWDVDTICKSVIKTGRLLISHEAPLTGGFASEISSTVQEECFLNLEAPISRVCGYDTPFPHIFEPFYIPDKWKCYDALRKMINY,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.309894379144197,,s_f5cb3b8e0e3b02ef901952cb,test
catpreddb_km_km_3f54d72e12e2ae,catpred_iteration1_km,km,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21>>,public_strict_iteration1_fulltrue_msa,,-0.5361070110140927,,s_08e94d00e198158ed1db5b76,test
catpreddb_km_km_3f74a68d3fac06,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@@H](O)[C@@H](C)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@@H](O)[C@@H](C)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@@H](O)[C@@H](C)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_3f7547c9acb1ad,catpred_iteration1_km,km,Q3A7N7,Q3A7N7,MADEIFDLIVLGAGPGGYVGAIRAAQLGMKVAVVESRPTLGGVCLNEGCIPSKALLDSSEHFALARDKFDMHGIEIPAPKLNLAKMMERKEGVVSDLTGGIAFLFKKNKVTWIKGRGKLLGAGGDGLQQVEVTGKNAGVVKGKNVLLATGGKVAQVPGITVDNDVIIDNVGALSIDKVPEHLMIIGAGYIGLELGSVWLRLGSKVTVVEMLPKMLPKTDADTTQALQRSLKKQGMTFNMGTTVGGIEVSGGKATVKLVKNDKEKEVVCDKVLMSIGRKPNTDGLGLEELGVEMGERGTIKVDDNYATNVPGIYAIGDLIPGPMLAHKASEEAVVFVERLVGKNSEVHYGTIPGVCYTWPEVASVGKTEQQLQEEGTPVKVGKFNFVGNGRARAMAETEGFVKIIAHAENGQVLGVHIFGPRASDMIAEAVAVMSYGGTAHDIGAMFHGHPTLSEAVKEAALDVDGAAVHC,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_d02c2fdf8b0ae996ba178ff8,test
catpreddb_km_km_3faecb5e2592e7,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6575773191777937,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_3fb57394783e42,catpred_iteration1_km,km,A0QY29,A0QY29,MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVVPDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAMYTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFHPAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADRPESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAALWRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVPAALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIEIDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGYGF,NCCc1cnc[nH]1,NCCc1cnc[nH]1,NCCc1cnc[nH]1>>,public_strict_iteration1_fulltrue_msa,,1.2041199826559248,,s_c98fff9ef9ca8eb344a3f0c8,test
catpreddb_km_km_3fc399104e5fff,catpred_iteration1_km,km,Q5HQ78,Q5HQ78,MITMKDIIRDGHPTLREKAKELSFPLSNNDKETLRAMREFLINSQDEETAKRYGLRSGVGLAAPQINEPKRMIAVYLPDDGNGKSYDYMLVNPKIMSYSVQEAYLPTGEGCLSVDENIPGLVHRHHRVTIKAQDIDGNDVKLRLKGYPAIVFQHEIDHLNGIMFYDYIDANEPLKPHEEAVEV,CSCC[C@H](N=CO)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(=O)O,CSCC[C@H](N=CO)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(=O)O,CSCC[C@H](N=CO)C(O)=N[C@@H](C)C(O)=N[C@@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3477202170340381,,s_81d4dc40eccffb79aed7af8c,test
catpreddb_km_km_3fe067e25e0a4c,catpred_iteration1_km,km,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.3279021420642825,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_km_km_3fed8b01c4c2a0,catpred_iteration1_km,km,A8YBP8,A8YBP8,MLIARDITQLVGRTPLVQLNRIPVAEGVKARIVVKLESMNPAASVKDRIGVSMVEDAEAAGLIHPDKTILVEPTSGNTGIALAMVAAAKGYRLVLTMPETMSLERRAMLKAYGAQLELTPGSQGMEGAITRAEEIVENTPNAYSLQQFRNPANPKIHRETTAEEIWADTDGLVDIVIGGVGTGGTITGIAETIKPRRPQFQAIAVEPSNSPVLSGGQPGPHKIQGIGAGFIPAIFRPELIDEVIIVDDTEAFAYARRLARQEGLLSGISAGAALWAAIQVGKRPENEDKLIVMIQPSFGERYLSTALFKDLEDID,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.361453919517135,,s_b39fddc5573a668f7ec7a7b3,test
catpreddb_km_km_40086aa1a46568,catpred_iteration1_km,km,P0CU53,P0CU53,MASSSRFAALLLLALPALALPPSQVVPRAACATPSTVPGYNNDRLPDPFLFDDGTAVTSSADWDCRRSQIAAVVQGYEAGYLPPQPPIVSATFSSSDGTGTLTVTAGLSSDNTISFSEPITYPSGTAPAAGWPLVIAYDVLSIPVPDGIAVMVYNNDDIAQENDLSSRGVGLFYDLYGTDATASAMTAWVWGVSRIIDALETTPAANINTAKIAVTGCSRDGKGALMAGAFEPRVALTIPQESGSGGDTCWRLSKYEQDSGDVVQQATEIVTENVWFSTNFDNYVNNLSVLPYDHHELAAMVAPRPLLSYENTEYEWLSPLSAYGCMSAAHTVYEALGIPDYHGFVQVGNHSHCYFPDTLDDSLYAFFDRFLLDEDDVSTDYFTTNYQFNGTVWNASYWINWTTPQLD,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4969384574706056,,s_9fec1b0c57b37f0d9dbb181d,test
catpreddb_km_km_4009407a247b35,catpred_iteration1_km,km,Q8II79,Q8II79,MENEQNNQDSENGLDYFRSMYDRYRDVFINHINDYVLEDDIKIIISKYYKLLFDYNCLGGKNNRGILVILIYEYVKNRDINCNEWEKVACIAWCIEILQASFLVADDIMDKGETRRNKHCWYLLKDVEIKNAVNDVFLLYNAIYKLLDVYLRNDNCYLDLITSFREATLKTIVGQHLDTNIFSDKYSHIDKDIDVNNINISQENKININMLNFKVYQNIIIHKTAYYSFFLPIVCGMQMGGISLDNLLYKKVENIAILMGEYFQVHDDYIDTFGDSKKTGKVGSDIQNNKLTWPLIKAFELCSQPEKEDIIRNYGKDNVTCIKFINDIYEHYNIRDHYVEYEKKQKMKILEAINQLHHEGIEYVLKYVMDILFTGA,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O,C=C(C)CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.803424581248588,,s_c42938b12aaaad3b796cfd65,test
catpreddb_km_km_4010988e67be65,catpred_iteration1_km,km,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.1135092748275181,,s_2bf532d075628659b9957308,test
catpreddb_km_km_401112b2d2f13e,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2076083105017461,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_4012490ae78279,catpred_iteration1_km,km,B0V8W9,B0V8W9,MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKDIVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGHQHLVFEYLGHKFGVLICEDIWSINTVKQLSQLNVDTVLVLNSSPYEVGKPQHRKQTLSELAKQLHLNIVYVNQVGGQDDLIFDGTSFVSNQNGEIALQAPSFKEDLYIAEFDRDTKLYKVVESAPALETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAIGAERVQAVMMPYTYTSQISVEDAAEQARRMGVTFGIAEIHSIVNSFMQTLYPFFGNSPADATEENLQARARGTLLMGLSNKFGNLVLSTGNKSELSVGYCTLYGDMVGGFAVLKDVYKTIVFELAKYRNSLSETPVIPERVITRPPSAELRPDQKDQDSLPAYDVLDAILYAYIEEDLGQADIIAKGFDKEVVEKVIRLVDRNEYKRRQGAIGPRITSRAFSRERRYPIVNGWTAND,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.6334684555795865,,s_7c4a98d7ecd761e629472228,test
catpreddb_km_km_40255771b1775b,catpred_iteration1_km,km,Q8N4J0,Q8N4J0,MQRRRRPPPPTSRLPEGCGGGGGGSEEVEVQFSAGRWGSAAAVSAAAAAATRSTEEEEERLEREHFWKIINAFRYYGTSMHERVNRTERQFRSLPANQQKLLPQFLLHLDKIRKCIDHNQEILLTIVNDCIHMFENKEYGEDGNGKIMPASTFDMDKLKSTLKQFVRDWSETGKAERDACYQPIIKEILKNFPKERWDPSKVNILVPGAGLGRLAWEIAMLGYACQGNEWSFFMLFSSNFVLNRCSEINKYKLYPWIHQFSNNRRSADQIRPIFFPDVDPHSLPPGSNFSMTAGDFQEIYSECNTWDCIATCFFIDTAHNVIDYIDTIWKILKPGGIWINLGPLLYHFENLANELSIELSYEDIKNVVLQYGFKVEVEKESVLSTYTVNDLSMMKYYYECVLFVVRKPQ,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_480b955f6b56cd604a59a8c8,test
catpreddb_km_km_402dfa8228a820,catpred_iteration1_km,km,Q6F9G0,Q6F9G0,MDLQQQPLFRQKALVAGQWCDADNAEKTPIFNPATQELIGYVPNMGRAETERAIEAAYASWEMWKTKTAKERSALLKKWYDLILLNLDVLAEILTTEQGKPFNEAKGEIIYAASFIEWFAEEAKRIYGDIIPSPYPDARIVVNKQPIGVVAAITPWNFPAAMITRKVAPALAAGCPCIVKPAPETPFTALALADLAIQAGIPAEIMSVVTGDAAQIGDAIFASDHVRKFTFTGSTPIGKLLLEKSAKTLKKVSLELGGNAPFIVFDDADIEAAVEGALIAKFRNAGQTCVCVNRFLVQSGVYEKFIQVFKAKIESLKIGNGLEAGSEIGPLINAQAVAKVQSHIEDALSKNGRLITGGQVHATGELFFEPTLIADANTEMMVATQETFGPLAAIFKFDTEQQAIQMANDTEFGLAAYCYTRDLGRAWRMSEQLEYGMVGINKGLISNEVAPFGGIKHSGLGREGSKYGIEDYLEIKYTLFGGL,O=CCCC(=O)O,O=CCCC(=O)O,O=CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_d54286fc98adab6346fd9054,test
catpreddb_km_km_4039c4e81fbea7,catpred_iteration1_km,km,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_km_km_404ee476205524,catpred_iteration1_km,km,Q09IZ4,Q09IZ4,MILRILNLVMLAILARTTFAQLQQVTNFGPNPTNVGIYAYRPSGLPANPALIVAMHYCTGTAQAYYSGTRYATLANTYKFIVIYPNAPDSGGCWDVHTNATLTHDAGGDSLGIASAIRYAINTWGVDRNRVFATGTSSGAMMTNVLAGAYPDLIKAGAAFAGVPYGCFAGPGMWNSQCAQGQLTKTAQQWGDQVRSGYPGYTGSRPKMQIWHGTRDETLNYNNFDEAIKQWTNIFGYSTTATQVQQNSPLSGWTRSTYGPNFQAISAANVPHNIPVQENDVLNWFGITGGGPTTTTTTTGPTQPPTTTTPGGPLQTQWGQCGGIGWTGPTACQPPFTCQYTNDWYSQCR,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1,CC(=O)Oc1ccc2c(C)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.7861766255669616,,s_87d966b798baa57fa1902ada,test
catpreddb_km_km_40504c33e6350b,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)/C=C/c1ccccc1,O=C(O)CN=C(O)/C=C/c1ccccc1,O=C(O)CN=C(O)/C=C/c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_4051edb96d7e78,catpred_iteration1_km,km,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.42021640338319,,s_2764a837703abb2f4c81a0d2,test
catpreddb_km_km_4053ac06654990,catpred_iteration1_km,km,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.00436480540245,,s_85471f35fb7860385479be86,test
catpreddb_km_km_405424cc3a8167,catpred_iteration1_km,km,Q95JC8,Q95JC8,MSFKSQSIGIIGAPFSKGQPRGGVEEGPTALRKAGLLEKLKEQECDVKDYGDLCFADVPNDTPFQIVKNPRSVGKANQQLADVVAEIKKNGRTSLVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTTTGNLHGQPVSFLLKELKEKIPEVPGLSWVTPCLSAKDIVYIGLRDVDPAEHYILKTLGIKYFSMIEVDKLGIGKVMEEAFSYLLGRKKRPIHLSFDVDGLDPFFTPATGTPVHGGLSYREGIYITEEIYKTGLLSGLDIMEVNPSLGKTPEEVTRTVNTAVALVLACFGVAREGNHKPIDYLKPPK,N=C(N)NCCCC(N)C(=O)O,N=C(N)NCCCC(N)C(=O)O,N=C(N)NCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9080823612768868,,s_01d40e9cbebe02ca74b20d7c,test
catpreddb_km_km_40663046439453,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,O=C(CO)[C@@H](O)CO,O=C(CO)[C@@H](O)CO,O=C(CO)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_4077be5349f6d9,catpred_iteration1_km,km,A8IW39,A8IW39,MQLNVRSTASGARSSTRSRRMTAVVQAVAQRAGTIDVQRNENFGKLRAGYLFPEIARRRKAHQEKNPDAKIISLGIGDTTEPLPKYIADAMAKAAAGLATREGYSGYGAEQGQGALREAVASTFYGHAGRAADEIFISDGSKCDIARIQMMFGSKPTVAVQDPSYPVYVDTSVMMGMTGDHNGTGFDGIEYMVCNPDNHFFPDLSKAKRTDIIFFCSPNNPTGAAATRAQLTELVNFARKNGSILVYDAAYALYISNPDCPKTIYEIPGADEVAIETCSFSKYAGFTGVRLGWTVVPKALKYANGEPVHADWNRVMTTCFNGASNIVQAGGLACLQPEGLKEMNAMIKFYKENAQILKTTFTEMGFSVYGGDDAPYIWVGFPGKPSWDVFAEILERCNIVTTPGSGFGPAGEGFVRASAFGSRENILEAVRRFKEAYGKRN,N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O,N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O,N[C@@H](CCC[C@H](N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_2105e8461c2d2ae046198893,test
catpreddb_km_km_40793eb01b4f6c,catpred_iteration1_km,km,Q7WT42,Q7WT42,MAKKDEKSHKNAPLIGIDIGGTGIKGGIVDLKKGKLLGERFRVPTPQPATPESVAEAVALVVAELSARPEAPAAGSPVGVTFPGIIQHGVVHSAANVDKSWLNTDIDALLTARLGRPVEVINDADAAGLAEARYGAGAGVKGTVLVITLGTGIGSAFIFDGKLVPNAELGHLEIDGHDAETKASAVARERDGLSWDEYSVLLQRYFSHVEFLFSPELFIVGGGISKRADEYLPNLRLRTPIVPAVLRNEAGIVGAAIEIALQHKLAK,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.1760912590556811,,s_c93f37d836e08bd4e4249043,test
catpreddb_km_km_407d8da9ff66cb,catpred_iteration1_km,km,C1E5X2,C1E5X2,MAAASAGGKIQAAPMVYVAGEEMTRYTMDLILERWIKPHVDTSAWEFFDLRAKNRDDTEDQVLRDVISAGARLKAIFKEPTITPTADQVKRLGLKKAWGSPNGAMRRGWNGITISRDTIHIDGVELGYKKPVFFERHAVGGEYSAGYKIVGKGKLTTTFVPEAGGEPIVVDDRKITDDLNAVVAYHNPLDNVAHLARIFFGRCLDAGIVPYVVTKKTVFKWQEPFWESMKTVFDAEFKQKFYEKGVMKPGSELVHLLSDAATMKLVVWTDGGFGMAAHNYDGDVLTDELAQVHKSPGFITSNLVGVDDNGTLIKEFEASHGTVTDMDEARLRGEETSLNPLGMVEGLIGAMNHAADVHGGSSGVHPWTGKLRAVIHKLFREGRGTRDLCGAGGLTTEQFIDAVAEEL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.2617385473525377,,s_4e180c1f88f8ca9ca85fa1f7,test
catpreddb_km_km_407e658d137c6e,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1nc(=O)c2[nH]c(=O)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O3)c2[nH]1,Nc1nc(=O)c2[nH]c(=O)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O3)c2[nH]1,Nc1nc(=O)c2[nH]c(=O)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O3)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-4.236572006437063,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_408ac522950a66,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.3488345356578004,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_4092ad776869df,catpred_iteration1_km,km,P9WJJ3,P9WJJ3,MNFYSAYQHGFVRVAACTHHTTIGDPAANAASVLDMARACHDDGAALAVFPELTLSGYSIEDVLLQDSLLDAVEDALLDLVTESADLLPVLVVGAPLRHRHRIYNTAVVIHRGAVLGVVPKSYLPTYREFYERRQMAPGDGERGTIRIGGADVAFGTDLLFAASDLPGFVLHVEICEDMFVPMPPSAEAALAGATVLANLSGSPITIGRAEDRRLLARSASARCLAAYVYAAAGEGESTTDLAWDGQTMIWENGALLAESERFPKGVRRSVADVDTELLRSERLRMGTFDDNRRHHRELTESFRRIDFALDPPAGDIGLLREVERFPFVPADPQRLQQDCYEAYNIQVSGLEQRLRALDYPKVVIGVSGGLDSTHALIVATHAMDREGRPRSDILAFALPGFATGEHTKNNAIKLARALGVTFSEIDIGDTARLMLHTIGHPYSVGEKVYDVTFENVQAGLRTDYLFRIANQRGGIVLGTGDLSELALGWSTYGVGDQMSHYNVNAGVPKTLIQHLIRWVISAGEFGEKVGEVLQSVLDTEITPELIPTGEEELQSSEAKVGPFALQDFSLFQVLRYGFRPSKIAFLAWHAWNDAERGNWPPGFPKSERPSYSLAEIRHWLQIFVQRFYSFSQFKRSALPNGPKVSHGGALSPRGDWRAPSDMSARIWLDQIDREVPKG,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_93be385222238d1589bdf3e5,test
catpreddb_km_km_40aa677248d6ab,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,CSCC[C@H](NC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O,CSCC[C@H](NC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O,CSCC[C@H](NC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_40cc708713dcbd,catpred_iteration1_km,km,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.6812412373755872,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_40dbdc762105c8,catpred_iteration1_km,km,A0QY29,A0QY29,MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVVPDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAMYTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFHPAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADRPESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAALWRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVPAALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIEIDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGYGF,NCC(O)c1ccc(O)cc1,NCC(O)c1ccc(O)cc1,NCC(O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.4771212547196624,,s_c98fff9ef9ca8eb344a3f0c8,test
catpreddb_km_km_40e8e3a82c00c0,catpred_iteration1_km,km,Q00441,Q00441,MTTVPDLESDSFHVDWYRTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEKYRGEFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALIRVQDDDDGRLSADELTSIALVLLLAGFEASVSLIGIGTYLLLTHPDQLALVRRDPSALPNAVEEILRYIAPPETTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPKQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVRLDG,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-0.5559552040819237,,s_cf50d631c1b1309ed4f5653e,test
catpreddb_km_km_40eb75bbad7623,catpred_iteration1_km,km,P22734,P22734,MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.5021824027012252,,s_6090164565ad94333335d06f,test
catpreddb_km_km_40f1716ecd8f27,catpred_iteration1_km,km,Q65CC7,Q65CC7,MHLLVRALVEEMAGRGVPHRVLTMSPPKVPKDIRIGQRIKVHARRLPVLPIPSDLEGYFGLVGAWAKGSLLWVLRNRKRLRREIGARVHAHCDGSGAAAFYPYLMSRILGVPLVVQIHSSRYLSQHPTTLFERVTDPIAKWAERHAVRKAAAVLMLTDRARDEMRRKAQLPAERVHRLAYLASDQFKDADTEARRAELRERYGLDDRPIVLYVGRIAAEKGVEYYIEAAAELTRRGRDCQFVIAGDGPARPDLEKLIGARGLRDRVTITGFMSHEFIPSMISLGELVVLPSRYEELGIVILECMTMRRPLVAHDVNGVNKLIEDGTTGIVVPPFRTPEMADAVERLLDDPELRERMAENAAPLPAAKYSLSAAGDQLAGIYREIGL,N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O,N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O,N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](N)C[C@@H]2N)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.951544993495972,,s_6ee1d2392fde898fa85f518c,test
catpreddb_km_km_40ff26c811c9a8,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_41481e4c6ed70e,catpred_iteration1_km,km,K4CB47,K4CB47,MGSEKMMKINIKESTLVKPSKPTPTKRIWSSNLDLIVGRIHLLTVYFYKPNGSSNFFDNKVIKEALSNVLVSFYPMAGRLGRDEQGRIEVNCNGEGVLFVEAESDSCVDDFGDFTPSLELRKLIPSVETSGDISTFPLVIFQITRFKCGGVALGGGVFHTLSDGLSSIHFINTWSDIARGLSVAVPPFIDRTLLRARDPPTSSFEHVEYHPPPTLNSSKNRESSTTTMLKFSSEQLGLLKSKSKNEGSTYEILAAHIWRCTCKARGLPEDQLTKLHVATDGRSRLCPPLPPGYLGNVVFTATPIAKSCELQSEPLTNSVKRIHNELIKMDDNYLRSALDYLELQPDLSTLIRGPAYFASPNLNINSWTRLPVHECDFGWGRPIHMGPACILYEGTIYIIPSPNSKDRNLRLAVCLDAGHMSLFEKYLYEL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_8cb0426bcd3214c6ac076000,test
catpreddb_km_km_4151ebd6971ae9,catpred_iteration1_km,km,P9WK13,P9WK13,MSASPLKVAVTGAAGQIGYSLLFRLASGSLLGPDRPIELRLLEIEPALQALEGVVMELDDCAFPLLSGVEIGSDPQKIFDGVSLALLVGARPRGAGMERSDLLEANGAIFTAQGKALNAVAADDVRVGVTGNPANTNALIAMTNAPDIPRERFSALTRLDHNRAISQLAAKTGAAVTDIKKMTIWGNHSATQYPDLFHAEVAGKNAAEVVNDQAWIEDEFIPTVAKRGAAIIDARGASSAASAASATIDAARDWLLGTPADDWVSMAVVSDGSYGVPEGLISSFPVTTKGGNWTIVSGLEIDEFSRGRIDKSTAELADERSAVTELGLI,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_c636a6959bff03450d3c3522,test
catpreddb_km_km_41643aa065f9b0,catpred_iteration1_km,km,Q9ZT84,Q9ZT84,MSSTLSDVFRSHPIHIPLSNPPDFKSLPDSYTWTPKDDLLFSASASDETLPLIDLSDIHVATLVGHACTTWGAFQITNHGVPSRLLDDIEFLTGSLFRLPVQRKLKAARSENGVSGYGVARIASFFNKKMWSEGFTVIGSPLHDFRKLWPSHHLKYCEIIEEYEEHMQKLAAKLMWFALGSLGVEEKDIQWAGPNSDFQGTQAVIQLNHYPKCPEPDRAMGLAAHTDSTLMTILYQNNTAGLQVFRDDVGWVTAPPVPGSLVVNVGDLLHILTNGIFPSVLHRARVNHVRSRFSMAYLWGPPSDIMISPLPKLVDPLQSPLYPSLTWKQYLATKATHFNQSLSIIRN,C=C1CC23CC1(O)CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O,C=C1CC23CC1(O)CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O,C=C1CC23CC1(O)CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_4dd1c96c03c0ff5238a2e238,test
catpreddb_km_km_416a9ed36813d3,catpred_iteration1_km,km,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC([O-])=NCCS(=O)(=O)O)c(CCC([O-])=NCCS(=O)(=O)O)c2C)N=C1O,C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC([O-])=NCCS(=O)(=O)O)c(CCC([O-])=NCCS(=O)(=O)O)c2C)N=C1O,C=CC1=C(C)/C(=C\c2[nH]c(Cc3[nH]c(/C=C4/N=C(O)C(C)=C4C=C)c(C)c3CCC([O-])=NCCS(=O)(=O)O)c(CCC([O-])=NCCS(=O)(=O)O)c2C)N=C1O>>,public_strict_iteration1_fulltrue_msa,,-0.6428351201273834,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_km_km_417e67d2d9a994,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CCCCC(=O)C(=O)[O-],CCCCC(=O)C(=O)[O-],CCCCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.7634279935629373,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_41c8ffa9045fef,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,C=COC(=O)CC,C=COC(=O)CC,C=COC(=O)CC>>,public_strict_iteration1_fulltrue_msa,,0.8450980400142568,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_41e1904996e89e,catpred_iteration1_km,km,W8VZ54,W8VZ54,MTSYDYDYVVIGGGSGGMASSKEAARLGARVALFDFVKPSTQGTKWGLGGTCVNVGCVPKKLMHYAGLLGAGLHDARHFGWRLGEPTHDWTALRTAVQNHVKSLNFGYRNGLRSAKVNYLNQLARFADPHTVEYTEKDGSVKRLTAAHICISVGGRPIIPTDVPGAVEHAITSDDIFALKNAPGRTLVVGASYIALECAGFLNELGYDVTVAVRSIVLRGFDRQCSEKVASLMADIGVKFKYGPLPTKIEKADGQLHVTFSDGTVDTYQTVLYATGRYADTGGLALENAGVVVGKNGKIPVINEVTNVPHIYAVGDIVEGGLELTPVAIRAGELLARRLFAGATEQMDYVNVPTAVFTPFEYGCVGYTEEAAIAKYGEENIETYLFEFASLELGAAHRSKVPARRADEFDDALPLPCLSKLVCLKPEGERVVGFHYVGPNAGEVTQGFALAVILGATKKDFNKVIGIHPTDAESFTALDITRASGQPFAASGGCGGGKCG,O=C([O-])c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-],O=C([O-])c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-],O=C([O-])c1cc(SSc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)ccc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_e77e91408a71927ee8058d29,test
catpreddb_km_km_4200a10b1f09c0,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.6190933306267428,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_421797770a5ca5,catpred_iteration1_km,km,O93874,O93874,MPHVENASETYIPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKVVSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFGHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFSVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSHHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVNGKVLTLDGGAA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.1870866433571443,,s_c6855cbee948f6d8ae468865,test
catpreddb_km_km_421c9cca92d12b,catpred_iteration1_km,km,Q8A8X4,Q8A8X4,MKKYIILLLALCSMSACDYEAVNTNPYGVSDGELGPLKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNTDLISSGNYIGYFGNNNNWGFNNEANWNFTDSRMNYAYQNFYSQIFLPWNEIYEIAKDSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVMAQYDLIYNGNVQNWVKLANSLMLRIAVRVHFIDETLAKEYITKALDPKNGGVIEDISSEAKIKSSDKMPLLNSMLASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYKYGTYNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYPNAVEAWTEYRRTGFPYLMKPMDEAAPGRIGASIEDCRVPERFRFAPTAYNSNPNMAEIPTLLGGGDIGATKLWWVRSNRPKQPNQ,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_a69da7593ae7a4a443263f83,test
catpreddb_km_km_422ac8aa55b7a8,catpred_iteration1_km,km,Q9L9F4,Q9L9F4,MLILGLNGNVSAAGADVVPNLNELYMHDAAATLVRDGVLVAAVEEERLNRIKKTTKFPSNAIRECLAAAGAKPADVDAIAYYFPEDFFDDIFQQLYTEHPSVPTRYSREMILERLRVDLGWAAPPDILHYVPHHLAHAMSTYYRSGMREALVVVMDGAGERNCTTIYRSDGAELFEIASYPVPKSLGMFYLYGTRHLGYGFGDEYKVMGLAPYGDPSTYRDVFSTLYSLGPNGTYELIPRGGVVFRMTTILREHGLQPRRRGEPFTQAHMDFAASVQETTEQIAMHVIGYWARSTGLRNLAFGGGVAHNSTLNGRILTSGLFDEVFVHPASHDAGSSEGAALVVARERGERVWPLPRLTNASLGPDLGDVDSLERTLKSWSPLVDVERPDDIVEATAHLLAAGEAIGWAHGRSEFGPRALGNRSILADARPKENQTRINAMVKKRESFRPFAPVVTAEAAGDYFDLPETVGHHDFMSFVVQVRADRRELLGAVTHVDGSARVQVVTEETNPRFHRLVTRFGELTGTPVLLNTSFNNHAEPIVQSVDDVLTSYLTTSLDVLVIEDFVVRRRTELPLALEDFTIGFRPVTRLVRRLADVSAGRPGAPEVSHEIYLDHTSGPRATISAAMYELLTHADGVTPLGSLGIELTGELLTELYDLWQGRFVTVAPVGDGAGSAP,CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1O,CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1O,CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(Cl)c3oc2=O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.8446639625349377,,s_cf92563dbf75db8cc3f111e8,test
catpreddb_km_km_425d82f715ca79,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_4266924b4541a8,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_427339d8ccaf98,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.167491087293764,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_427433463c200c,catpred_iteration1_km,km,G8XUN7,G8XUN7,MNTRIPPGPGAVPMPSRRLFVQGLAAGGVVAGIAAVGVPQRALAAATAAPRLAGAPAVLSDTRIELAIGESLANFTGRTRPAITVNGSLPAPILRWREGQTVDLFVRNTLERHPTSIHWHGILLPANMDGVPGLSFNGIGPGETYHYHFELKQSGTYWYHSHSMFQEQAGLYGALIIDPAEPAPYHHDREHVILLSDWTDMDPGALFRRMKKLAEHDNYYKRTLPDFLRDVKRDGWSAALSDRGMWGRMRMTPTDISDINAHTYTYLMNGTAPAGNWTGLFRSGEKVLLRFINGASMTYFDVRIPGLKMTVVAADGQYIHPVSIDEFRIAPAETYDVLVEPTGQDAFTIFCQDMGRTGFAAGTLAVRHGLQAPIPAPDPRPLLTMSDMGHDMGSGGHGGHDMAAMKGMEGGCGASMGHDGDTASRAPKHPASERNNPLVDMQSSATEPKLDDPGIGLRDNGRQVLTYGAMRSLFEDPDGREPSREIELHLTGHMEKFSWSFDGIPFASAEPLRLNYGERMRIVLVNDTMMQHPIHLHGVWSDLENAQGEFQLRKHTIDMPPGTRRSYRVRADALGRWAYHCHLLYHMEAGMMREVRIEE,Oc1ccccc1O,Oc1ccccc1O,Oc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_d5955ff5ac396c6fbc4cd205,test
catpreddb_km_km_428ba45f62fac5,catpred_iteration1_km,km,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,COc1cc(OC)cc(C(=O)[C@H](O)c2cc(OC)cc(OC)c2)c1,COc1cc(OC)cc(C(=O)[C@H](O)c2cc(OC)cc(OC)c2)c1,COc1cc(OC)cc(C(=O)[C@H](O)c2cc(OC)cc(OC)c2)c1>>,public_strict_iteration1_fulltrue_msa,,0.034995831304712,,s_1f8beb386de84deb2f180511,test
catpreddb_km_km_42a07c414aa903,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,COC(=O)C[C@@H](N)C(=O)OC,COC(=O)C[C@@H](N)C(=O)OC,COC(=O)C[C@@H](N)C(=O)OC>>,public_strict_iteration1_fulltrue_msa,,2.7323937598229686,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_42a310b614e93d,catpred_iteration1_km,km,P22256,P22256,MNSNKELMQRRSQAIPRGVGQIHPIFADRAENCRVWDVEGREYLDFAGGIAVLNTGHLHPKVVAAVEAQLKKLSHTCFQVLAYEPYLELCEIMNQKVPGDFAKKTLLVTTGSEAVENAVKIARAATKRSGTIAFSGAYHGRTHYTLALTGKVNPYSAGMGLMPGHVYRALYPCPLHGISEDDAIASIHRIFKNDAAPEDIAAIVIEPVQGEGGFYASSPAFMQRLRALCDEHGIMLIADEVQSGAGRTGTLFAMEQMGVAPDLTTFAKSIAGGFPLAGVTGRAEVMDAVAPGGLGGTYAGNPIACVAALEVLKVFEQENLLQKANDLGQKLKDGLLAIAEKHPEIGDVRGLGAMIAIELFEDGDHNKPDAKLTAEIVARARDKGLILLSCGPYYNVLRILVPLTIEDAQIRQGLEIISQCFDEAKQ,NCCCC(=O)O,NCCCC(=O)O,NCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7634279935629373,,s_c32f0b4849ddded75e72f613,test
catpreddb_km_km_42aa494f444011,catpred_iteration1_km,km,Q9SMJ3,Q9SMJ3,MATCSAYLCCPATSASLKKRVFPDGSAGFLFFGGRRLSNRLVTPKSVIRADLNSMVSDMSTNAPKGLFPPEPEHYRGPKLKVAIIGAGLAGMSTAVELLDQGHEVDIYESRTFIGGKVGSFVDKRGNHIEMGLHVFFGCYNNLFRLMKKVGAEKNLLVKEHTHTFVNKGGEIGELDFRFPVGAPLHGINAFLSTNQLKTYDKARNAVALALSPVVRALVDPDGALQQIRDLDSVSFSDWFMSKGGTRASIQRMWDPVAYALGFIDCDNISARCMLTIFALFATKTEASLLRMLKGSPDVYLSGPIKKYIIDKGGRFHLRWGCREVLYETSSDGSMYVSGLAMSKATQKKIVKADAYVAACVVPGIKRLVPQKWRELEFFGNIYKLIGVPVVTVQLRYNGWVTELQDLERSRQSKRATGLDNLLYTPDADFSCFADLALASPEDYYIEGQGSLLQCVLTPGDPYMPLPNEEIIRRVSKQVLALFPSSQGLEVTWSSVVKIGQSLYREGPGKDPFRPDQKTPVENFFLAGSYTKQDYIDSMEGATLSGRQASAYICDAGEQLLALRKKIAAAELNEISKGVSLSDELSLV,CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C,CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C,CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.0757207139381184,,s_93c291c369b78e813602d327,test
catpreddb_km_km_42f801d27aa93a,catpred_iteration1_km,km,D7BAR0,D7BAR0,MSSLTPELRQSILEHLGFLYGERAPAVLGRLEEICSGFPAQRREGGWSEKDALLITYGDQIHAEGEPPLQTLYDFLYERLRGVFSGVHLLPFYPSTSDDGFSVVDFQRVDPELGTWTDIRIIAQDFRLMADLVCNHVSASSPWFQGFLQDDPQYQGFFITVDPGTDLSTVFRPRALPLLTPFQTPSGEKLVWTTFSPDQTDLNYANPEVLLEVIEALLCYVRNGAGLIRLDAVGFIWKEIGTSCMHLEGAHRIVKLMRLVLDAVAPHVLLVSETNAPHRENISYFGNGHDEAQLVYQFPLPPLVMHTFRTGDASKLAGWAAGLTLPSERTTFFNFLASHDGIGVVPAGGILQPEEIAALVRQALEHGGRVNHKDTPDGPVPYELCLTLFDALSNPNSDEAEDLKIARFLAANVILLSLQGIPGVYIHSLFGSPSDHAGFEESGIPRRLNRHKFTKAELEERLADPASRAAKILAAYSHLLRVRSMHPAFHPNAPQRILPSTEVLRIVRGEGDQAVGCYINVTDRPQVVSRIGKNLITGQWFTGVLKPYQAAWIID,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9084850188786496,,s_0058539aac40e33eed965c7c,test
catpreddb_km_km_42f9f7a0ddffaa,catpred_iteration1_km,km,Q9XS57,Q9XS57,MTQTLKLASRVFHRVCRAPELGSRGSDSAPRGLADLPGPSTPGFLAELFCKGGLSRLHELQVQGAARFGPVWLASFGKVRTVYVAAPTLVEQLLRQEGPLPERCSFSPWTEHRRRRQRSCGLLTAEGEEWQRLRSLLAPLLLRPQAAARYAGTLHDVVQDLVRRLRSQRGLGAGPPALVRDVAGEFYKFGLEGIAAVLLGSRLGCLEPEVPPDTETFIRAVGSVFVSTLLTMAMPSWLHRLVPGPWARLCRDWDQMFAFAQEHVERREAEAAMKSQGKPEEDLGSGAHLTYFLFREELPAPSILGNVTELLLAGVDTVSNTLSWALYELSRHPEVQMALHSEIKTALGPSSSAHPSATVLSQLPLLKAVVKEVLRLYPVVPGNSRVPDKDICVGDYIIPKNTLVTLCHYATSRDPAQFPEPNSFRPARWLGECPAPHPFASLPFGFGKRSCMGRRLAELELQMALAQILIHFEVQPEPGSAPIRPMTRTVLVPERSINLQFVDR,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)O,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)O,C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)O>>,public_strict_iteration1_fulltrue_msa,,-3.0132282657338,,s_bf20937a147528ae15d198a4,test
catpreddb_km_km_430ef6966947ee,catpred_iteration1_km,km,P96318,P96318,MVSHPCTADEAKPPSEGQLARFENGKLIVPDNLIVAYFKGDGIGPEIVESAKKVLDAAVDKAYGGTRRIVWWEVTAGEEAQKECGSLLPDGTLQAFKLARVNLKGPLTTPVGGGFRSLNVTLRMVLDLYSNVRPVKWYGQPTPHCHPENIDWVIFRENTEDVYAGIEWPFDSPEAQKIRDFLKKEFGIELTPDTGIGIKPISKWRTQRHVRRAMEWAIRNGYKHVTIMHKGNIMKYTEGAFRQWAYDLILSEFRDYVVTEEEVNTKYGGKAPEGKIIVNDRIADNMLQQIITRPGEYNVIVTPNLNGDYISDEANALVGGIGMAAGLDMGDGIAVAEPVHGSAPKYAGKNVINPTAEILSGMYLLSDFVGWPEVKLLVEYAVKQAIAHKQVTYDLAREMGGVTPISTTEYTDVLVDYIRHADLKALKGQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_18da4dea7a0b5b8d4731137d,test
catpreddb_km_km_43109b2506dff2,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.7958800173440754,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_431bda07f45c6e,catpred_iteration1_km,km,Q7SIG3,Q7SIG3,VVGGRVAQPNSWPWQISLQYKSGSSYYHTCGGSLIRQGWVMTAAHCVDSARTWRVVLGEHNLNTNEGKEQIMTVNSVFIHSGWNSDDVAGGYDIALLRLNTQASLNSAVQLAALPPSNQILPNNNPCYITGWGKTSTGGPLSDSLKQAWLPSVDHATCSSSGWWGSTVKTTMVCAGGGANSGCNGDSGGPLNCQVNGSYYVHGVTSFVSSSGCNASKKPTVFTRVSAYISWMNGIM,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.1673173347481761,,s_20f7683f837eb8444a532bea,test
catpreddb_km_km_4324c4ad5ccbc8,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CC(O)CC(=O)OCC[N+](C)(C)C,CC(O)CC(=O)OCC[N+](C)(C)C,CC(O)CC(=O)OCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,0.0863598306747482,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_432802a8f92fdd,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CC(=O)O,CC(=O)O,CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5276299008713387,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_433ad3e2152fed,catpred_iteration1_km,km,P10633,P10633,MELLNGTGLWSMAIFTVIFILLVDLMHRRHRWTSRYPPGPVPWPVLGNLLQVDLSNMPYSLYKLQHRYGDVFSLQKGWKPMVIVNRLKAVQEVLVTHGEDTADRPPVPIFKCLGVKPRSQGVILASYGPEWREQRRFSVSTLRTFGMGKKSLEEWVTKEAGHLCDAFTAQAGQSINPKAMLNKALCNVIASLIFARRFEYEDPYLIRMVKLVEESLTEVSGFIPEVLNTFPALLRIPGLADKVFQGQKTFMALLDNLLAENRTTWDPAQPPRNLTDAFLAEVEKAKGNPESSFNDENLRMVVVDLFTAGMVTTATTLTWALLLMILYPDVQRRVQQEIDEVIGQVRCPEMTDQAHMPYTNAVIHEVQRFGDIAPLNLPRFTSCDIEVQDFVIPKGTTLIINLSSVLKDETVWEKPHRFHPEHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVPVGQPRPSTHGFFAFPVAPLPYQLCAVVREQGL,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12>>,public_strict_iteration1_fulltrue_msa,,-2.0222763947111524,,s_365f886fcc63c11e2d2d706e,test
catpreddb_km_km_434948c8f17344,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,CC(O)=Nc1ccccc1S,CC(O)=Nc1ccccc1S,CC(O)=Nc1ccccc1S>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_435344a061bf08,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.0160585361622095,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_435619da1193ce,catpred_iteration1_km,km,Q0BRB0,Q0BRB0,MTLSMTLEGIQAFLAQGGTIEQVVTEAYDRITRYGDKAVWIALRPREEVLAEARALDASPATGKPLYGVPFAVKDNIDVAGLPCSAACPAFTYEPDRDATVVARLRAAGAIVLGKTNLDQFATGLVGTRSPFGAPRCVFDQDYISGGSSSGSAVAVAAGLVAFSLGTDTAGSGRVPAAFNNLVGVKPTKGLLSTSGVVPACRSLDCVTVFAASVAEGTLIRRIAEGYDAADPYSRPSQKRRLPHVGLRVGVPRQDQREFYGNTAYAALYQRALDEMISLDAELVEIDFAPFRDAAKLLYGGPWVAERLEAVGDHLSRAPDSFDPVVRSIVETAKTLSAVDAFRGQYELAALTQQANAQWARMDILLLPTAPTIHKVEAVMADPVRLNSQLGHYTNFVNLLDCAAIAVPAGFIETGLPFGVTLVGPAFSDDSMALIADRLHRRLEPGYGQDRASLPDPVLEETNPEQIALAVVGAHLSGQPLHWQLTERNATLVARTRTAPEYRLYALAETIPPKPGLVADPDFTGDGIEIELWSMDAEAFGTFTALVPAPLAIGTLRLADGTSVKGFVCEPAGLVGAQDITRFGGWRAYLAQ,N=C(O)NC(=O)O,N=C(O)NC(=O)O,N=C(O)NC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8388903526330403,,s_aac7747d36921b289751af42,test
catpreddb_km_km_4386421cbda9cc,catpred_iteration1_km,km,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,N[C@@H](CS)C(=O)O,N[C@@H](CS)C(=O)O,N[C@@H](CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0407971728155794,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_km_km_438e4e6b78b3fb,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_43ab67eb39f749,catpred_iteration1_km,km,P71875,P71875,MSTDTSGVGVREIDAGALPTRYARGWHCLGVAKDYLEGKPHGVEAFGTKLVVFADSHGDLKVLDGYCRHMGGDLSEGTVKGDEVACPFHDWRWGGDGRCKLVPYARRTPRMARTRSWTTDVRSGLLFVWHDHEGNPPDPAVRIPEIPEAASDEWTDWRWNRILIEGSNCRDIIDNVTDMAHFFYIHFGLPTYFKNVFEGHIASQYLHNVGRPDVDDLGTSYGEAHLDSEASYFGPSFMINWLHNRYGNYKSESILINCHYPVTQNSFVLQWGVIVEKPKGMSEEMTDKLSRVFTEGVSKGFLQDVEIWKHKTRIDNPLLVEEDGAVYQLRRWYEQFYVDVADIKPEMVERFEIEVDTKRANEFWNAEVEKNLKSREVSDDVPAEQH,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_17b685d1dec68eb1ef1f91ee,test
catpreddb_km_km_43afaced53617e,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.8181564120552275,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_43c0303d4da2c7,catpred_iteration1_km,km,Q92442,Q92442,MAKVSFIFVAIALITGNVLCQTDATYAVSSSAPGYKIDGHVRKTEAGLHIPLTLNSRGNKKTGIDTFGKTIKDITVDVEYETEERLHVKISDKAKKQYLVPDSPLGFERPQIKHYVSPKHSNLDFQYTAKPFSFKVVRKDDKTTIFDTTNMPLVFEDQYLELSTKVPEDANIYGIGEVTAPFRRTHNVTTLWARDNPDDFYRNIYGAHPYYQEVRDGKAHGALLMNAHGMDVITTEGRITYKVIGGILDFYFFAPKSGKPNDLSIAYTDLIGKPMMPSHWMLGWHHCRYGYPNIDKVETVKRKYKEANIPLQTVWVDIDYMEETKDFTFDKVNFPQDRMIGLGEQLHKDGQNYVVMVDPAISANTTYEPYVRGTEMDVWIKNADGSDFIGSVWPGFTTFPDWWHPNATKYWNKEIIDFVDMLGVDGLWIDMNEPASFCLGSCGSGKVDAGNQPYRWTYTEEEQAANHTRWEKELKAMGNPPGEERNLLYPKYAINNGAGNLSEFTVATTALHYGNIPHYDIHNLYGHAESHITRQALIKHKNKIRPFVLTRSSFPGSGKSVGHWTGDNHSFWPYLKNSIANILNFQMFGVSYSGADVCGFNSDTTEELCTRWMEIGAFYPFARNHNNNAAKDQEPYLWESTAEASRIAINTRYEMLPYFYTLFEESNRLGLGVWRPLIFEYPAYEELVSNDVQTLVGSDILLSPVLDEGKTSVKAQFPGGQWYDWYTHELTVDNKSNKKVKTVTLDAPLTHIPIHIRGGAIIPTKTPKYTVGETFATPYNLVIALDKKGQASGRLYIDDGESLEVKSSSGYHFHLQEWSPQGFWQVWLQEGRKDWLHHHYWQARQQVAKGSRWQEDYQIDPWQE,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.170696227168975,,s_1201537268318bfa06028239,test
catpreddb_km_km_43d0b5da15c520,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_43d1d0287eb4da,catpred_iteration1_km,km,E5BBQ3,E5BBQ3,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,O=C([O-])c1ccc(C(=O)OCCO)cc1,O=C([O-])c1ccc(C(=O)OCCO)cc1,O=C([O-])c1ccc(C(=O)OCCO)cc1>>,public_strict_iteration1_fulltrue_msa,,0.865103974641128,,s_622f654e005640bab6abcb8a,test
catpreddb_km_km_43e1c8b147f108,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCC(O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(O)C(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_43ed43f29e16de,catpred_iteration1_km,km,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8014037100173551,,s_23a07e04da444562badc1284,test
catpreddb_km_km_442862991d49a8,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_442db7c99390f0,catpred_iteration1_km,km,A0A286Y392,A0A286Y392,MPEENIFLFVPNLIGYARIVFALISFYFMPCCPLTASSFYLLSGLLDAVDGHAARALNQGTRFGAMLDMLTDRCSTMCLLVNLALLYPRATLLFQLSMSLDVASHWLHLHSSVVRGSESHKMIDLSGNPVLRIYYTSRPALFTLCAGNELFYCLLYLFNFSEGPLVGSVGLFRMGLWITAPIALLKSVISVIHLITAARNMAALDAADRARKK,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_23146ed55028eb525a95a161,test
catpreddb_km_km_44315e519074e3,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CC(C)CN,CC(C)CN,CC(C)CN>>,public_strict_iteration1_fulltrue_msa,,0.534026106056135,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_4441720a7158fa,catpred_iteration1_km,km,A0A4Y5R2N2,A0A4Y5R2N2,MANTEHVRLLGLWSSPFSRRVEWALKLKDVDYEYIEEDIFNKSSQLIELNPVHKAVPVFVHGEKVIAESFVILEYIDETWKQCPLMPQDPHERAMTRFWTKFAEEKMSAAWTATCSLGEEKEKAAKLTVDALEKIEGVLKGKRFFGGESIGYSDIAVGWMSYWLPIWEEVGSTKIVDPLQFPALTSWMRNFLEHPVIKENLPPRDKMIIYFQKRSIEFFPRPRG,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,0.5278875659527047,,s_4ae5820f2be4a47c60a27118,test
catpreddb_km_km_446ee7e87daf1f,catpred_iteration1_km,km,P38993,P38993,MTNALLSIAVLLFSMLSLAQAETHTFNWTTGWDYRNVDGLKSRPVITCNGQFPWPDITVNKGDRVQIYLTNGMNNTNTSMHFHGLFQNGTASMDGVPFLTQCPIAPGSTMLYNFTVDYNVGTYWYHSHTDGQYEDGMKGLFIIKDDSFPYDYDEELSLSLSEWYHDLVTDLTKSFMSVYNPTGAEPIPQNLIVNNTMNLTWEVQPDTTYLLRIVNVGGFVSQYFWIEDHEMTVVEIDGITTEKNVTDMLYITVAQRYTVLVHTKNDTDKNFAIMQKFDDTMLDVIPSDLQLNATSYMVYNKTAALPTQNYVDSIDNFLDDFYLQPYEKEAIYGEPDHVITVDVVMDNLKNGVNYAFFNNITYTAPKVPTLMTVLSSGDQANNSEIYGSNTHTFILEKDEIVEIVLNNQDTGTHPFHLHGHAFQTIQRDRTYDDALGEVPHSFDPDNHPAFPEYPMRRDTLYVRPQSNFVIRFKADNPGVWFFHCHIEWHLLQGLGLVLVEDPFGIQDAHSQQLSENHLEVCQSCSVATEGNAAANTLDLTDLTGENVQHAFIPTGFTKKGIIAMTFSCFAGILGIITIAIYGMMDMEDATEKVIRDLHVDPEVLLNEVDENEERQVNEDRHSTEKHQFLTKAKRFF,[Cu+],[Cu+],[Cu+]>>,public_strict_iteration1_fulltrue_msa,,-1.4213607900319276,,s_47d6ad19027377fc8c915789,test
catpreddb_km_km_4472954e268742,catpred_iteration1_km,km,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.0968563016507833,,s_0424465e822fd7a94a631a04,test
catpreddb_km_km_44734d4b0d61c3,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,O=CCCC(=O)C(=O)O,O=CCCC(=O)C(=O)O,O=CCCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0604807473813814,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_447ddc814aa2aa,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-3.0809219076239263,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_44964777a0c157,catpred_iteration1_km,km,Q68SL7,Q68SL7,MSVVSAVSFMRPLHMRSPGPRGRRHTLPASEFRSLSPEDAISVFEIEREAFISVSGECPLHLDEVRHFLTLCPELSLGWFEEGRLVAFIIGSLWDQERLTTDALTLHKPHGTTVHIHVLAVHRTFRQQGKGSILMWRYLQYLRCLPYIRRAVLMCEDFLVPFYQKSGFKVQGPSDITVGPLTFIEMLYPVRGHAFMRRNSGC,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2076083105017461,,s_ecc820d6303eca4ddb9ee17a,test
catpreddb_km_km_44a225c866f972,catpred_iteration1_km,km,Q81P63,Q81P63,MKIKKESLEMRQMRKKVVLIGTGLIGGSLALAIKKDHDVTITGYDIFQEQVERAKELHVVDEIAVDLQHACEEAHLIVFASPVEETKKLLHKLASFHLREDVIVTDVGSTKGSIMNEAEALFSKEISFIGGHPMAGSHKTGVESAKAHLFENAFYILTPMHHVPNEHVEELKDWLKGTGSHFLVLNTEEHDYVTGIVSHFPHLIAAGLVKQVEKHAGDNPLIHQLAAGGFKDITRIASSSPKMWSDIVKQNREHLMVLLKEWISEMEDLYDTVSSGDAGEIQNYFADAKEYRDSLPVRKRGAIPAYHDLYVDVLDKVGALAHVTSILAREEISITNLQILEAREGLLGVLRISFQREEDRMKAKLALGEEKYQTYETI,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6252516539898961,,s_c80e98cfb506d47134818ce5,test
catpreddb_km_km_44a557d99e0040,catpred_iteration1_km,km,Q52QT9,Q52QT9,LKMLVSYVDNLPTGDEHGLFYALDLGGTNFRVLRVQLGGKEKRAVQQYEEVPIPPHLMVGTSTELFDFIAAELERFVETEGDDFHLPEGRHRELGFTFSFPVHQTSISSGTLVKWTKGFCINGTVGEDVVAELSSAMERQGLDMKVTALVNDTVGTLAGGIYADNDVVAAVILGTGTNAAYVEHANTIPKWHG,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.6232492903979004,,s_47f0f329f03db35a2d6572df,test
catpreddb_km_km_44b120a5f79e2d,catpred_iteration1_km,km,Q8X270,Q8X270,MWPSAKFIDGRVAFSRMPAERELDEVARDFDAVVVLVEDYELPYSLDEWEKRGVEVLHGPIPDFTAPSVEQLLEILRWIEERVREGKKVLIHCMGGLGRSGTVGVAWLMYSRGLSLREALMEVRRKRPGAVETQEQMEVLKELEERI,Cc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12,Cc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12,Cc1cc(=O)oc2c(F)c(OP(=O)(O)O)c(F)cc12>>,public_strict_iteration1_fulltrue_msa,,-0.3511810137759499,,s_1e8de87a5d959aa995e9ecfe,test
catpreddb_km_km_44bcc0f50e7503,catpred_iteration1_km,km,A8NU13,A8NU13,MRPTARQFTLPDLFSICPLQDATNPWYKQAAAESRAWINSYNIFTDRKRAFFIQGSNELLCSHVYAYAGYEQFRTCCDFVNLLFVVDEISDDQNGQDARATGRIFVNAMRDAHWDDGSILAKITHEFRERFVRLAGPKTVRRFADLCESYTDCVAREAELRERNQVLGLNDFIALRRQNSAVLLCYSLVEYILGIDLDDEVYEDPTFAKAYWAACDFVCWANDVYSYDMEQAKGHTGNNVVTVLMKEKDLSLQEASDYIGRECEKQMRDYLEAKSQLLQSTDLPQEAVRYIEALGYWMVGNLVWSFESQRYFGAQHERVKATHVVHLRPSSVLEASCDSDSDSDC,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_32294fc987518b3d6e4d1e15,test
catpreddb_km_km_44d9b30266f705,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CC=CC(=O)OCC[N+](C)(C)C,CC=CC(=O)OCC[N+](C)(C)C,CC=CC(=O)OCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.1191864077192085,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_44db502ab2b783,catpred_iteration1_km,km,A4V929,A4V929,MNITIIGSGPAGVYSAIVSAKLGNKVKLVEKNDKLGGTCVLYGCIPSKAMLHPLFLKYLAEETGKKLNFSFSEIQKKLQKNVVNRLSKGVEYMLESYGIEVIHGKAQLKGGNIQVGGQTIPSVKIIVATGTEKPQIEGTIASDDLPYLDKEFSKVLVIGGGAGGVEYAWLLKMSGKDVSIVEKSDSLLPYLDEDLKKAVSAYFKKIGIKLYLSSEITLGDKPRIGNEELPQPDIILYTFGRKPALDGFEELPHEKWIKVDKRMYTGVNNIYAAGDITGTFTAHEAIHEGFIAGLNASGVEKYYNPEAVPKVIYTEPQIAYVGNTKGKCVKINMAEIPRAIAEGLTEGFLKVCTEGKKITGAVAFSHDAENIITLISMFINYGIEIDKAIDFIEPHPSYLEAVFEALLRLNS,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.1487416512809247,,s_d9a1cc84bf8d687ec7e38e60,test
catpreddb_km_km_44dc15de7b4953,catpred_iteration1_km,km,O85596,O85596,MIIGVPKEIKNHEYRVGMIPASVRELISHGHQVFVETNAGAGIGFSDDDYIAVGASILPTAAEVFAQADMIVKVKEPQAVERAMLKEGQILFTYLHLAPDFPQTEDLIKSKAVCIAYETVTDNMGRLPLLAPMSEVAGRMSIQAGAQTLEKSHGGRGLLLGGVPGVEPAKVVIVGGGVVGANAARMAVGMRADVTILDRNIDTLRKLDEEFQGRAKVVYSTEDAIEKHVLAADLVIGAVLIPGAAAPKLVTKEHIAKMKPGAAVVDVAIDQGGCFETSHATTHADPTYIVDDVVHYCVANMPGAVARTSTFALNNATLPYIVKLANKGYREALLADHGFLEGLNVIHGKVTCKEVAEAFNLEYVQPETAIAMFN,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.4771212547196624,,s_5c4d41ee42fc307757c45309,test
catpreddb_km_km_44f23b74872b81,catpred_iteration1_km,km,Q02745,Q02745,MAPMRKKSTLKLLTLLVLFIFLTSFFLNYSHTVVTTAWFPKQMVIELSENFKKLMKYPYRPCTCTRCIEEQRVSAWFDERFNRSMQPLLTAKNAHLEEDTYKWWLRLQREKQPNNLNDTIRELFQVVPGNVDPLLEKRLVSCRRCAVVGNSGNLKESYYGPQIDSHDFVLRMNKAPTEGFEADVGSKTTHHFVYPESFRELAQEVSMILVPFKTTDLEWVISATTTGRISHTYVPVPAKIKVKKEKILIYHPAFIKYVFDRWLQGHGRYPSTGILSVIFSLHICDEVDLYGFGADSKGNWHHYWENNPSAGAFRKTGVHDGDFESNVTTILASINKIRIFKGR,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6883753548010497,,s_ac8ecf4904e3b33efb7914f7,test
catpreddb_km_km_4505f500728883,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,O=C(C(O)N1CCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(C(O)N1CCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(C(O)N1CCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.6720978579357175,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_450d22a72da113,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,Cc1cc(=O)oc2cc(O)ccc12,Cc1cc(=O)oc2cc(O)ccc12,Cc1cc(=O)oc2cc(O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.711846605205954,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_45118f6099bca5,catpred_iteration1_km,km,Q97U94,Q97U94,MIWIEDENGNKYQCDSNGNCENLAIVKVNTKEYNNDGKIYSIEGKSFVKLSKFPITLKLNLKADQILSLTTQQIYSEVYGKAFTYYNQLAIDMEPVTEPPKELKYDIKSLDHEKYIRTYPCWLYPVFNNIPDYTVFALVKSGNSYEAFFTLSNNYVTAYLFGDSVRLYTGFNTDEIKRSYFLSIGTSDNPYKAIENAINIASKETFTFKLRKEKGFPDKVMNGLGWCSWNAFLTKDLNEENLIKVVKGIIERGLRLNWVIIDDGWQDQNNDRAIRSLNPDNKKFPNGFKNTVRAIKSLGVKYVGLWHAINAHWGGMSQELMKSLNVNGYFTNFLNSYVPSPNLEDAIGFYKAFDGNILRDFDLVKVDNQWVIHAIYDSFPIGLASRNIQIALQYSVGKDVINCMSMNPENYCNYFYSNVMRNSIDYVPFWKDGTKLHIMFNAYNSLLTSHIVYPDYDMFMSYDPYAKVHLVARVFSGGPIYITDRHPERTNIELLRMAVLPNGEVIRVDEPALITEDLLFKDPLRERVLLKLKGKVKGYNAIAFFNLNSGEVEEEYNNNEDYYYYKVFSGEFGVGKFNVKLRELDAEVVITFPKSNRVIGLREYILPPFTVIVSDNVVIPKADGTLLYVKDTELNEVKAREGIPVTIE,O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.5728716022004805,,s_71c2ba37809081a077823ddf,test
catpreddb_km_km_45147a84dc3afd,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(=O)C(C)O,CC(=O)C(C)O,CC(=O)C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.4697596263093091,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_4518b1a6877e23,catpred_iteration1_km,km,A9XWD7,A9XWD7,MSIETNTYDVIVVGSGAGAMLAAARAHDLGLSVLVVEKSDKYGGTSAVSGGAVWIPNNSQMQIKDSFDEALTYLKAATQGLVAEDRLLAYLESAPQMVEYINANMTLQYFPCHRYPDYYQHLPGAKPGGRTMEPMLFDAALLGDEFANLRMAYTGTLLMGKASMTATEAHVMLAKEPGWMLQVIKSLGRYYLDLPWRLKSRHDRKRGLGNAMAAGLRHALLERKVPLWLNTPFESLITEGAENKRVTGIVVKRNGQTLQLTARRGVVLGAGGFERNQQMREQYLPKPTNAAWSATPPHNTGDTIRAAMDIGARAELMDWAWWVPSIHVPGEAAQTGLFAERNLPGCIVVNGKGQRFINEASPYLEFGAAMYENHARSGSAVPAWLIFDGKFRYNYPMGPLMPGQIQPDRKAWLGKVYWRDDTLEGLAKQIGVDAAGLKQSVELNNQYAQDGKDREFDKGGNVFDRYYGDYNVKPNPCLAPIGKPPYYAMRVDAGDIGTKGGLLTDKDARVLDESDRPIEGLYCIGNNSASVMGKAYPGAGGTLGPAMTFGFRAANHIAASK,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.2763801644845366,,s_be9cc8c9d1978052c4026337,test
catpreddb_km_km_453439d1a6bbd7,catpred_iteration1_km,km,B2ZHM6,B2ZHM6,MAEALEVFVKAATGAPDKLGDCPFSQRVLLTLEEKQVPYNMKLIDTSNKPEWFLQINPEGKVPVIKIDDKWIPDSDVITQILEEKYPEPPLATPPEKATVGSKIFSTFIGFLKSKDPNDGTEQALLNELRAFDEYLKDNGPFINGEKISAADLSLAPKLYHMKVALGHFKKWSVPEEFTYVQSYMKAVFSRESFQRTNAADEQYIIAGWFPKVNA,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0128372247051722,,s_80559dadf76019b5f34f3c20,test
catpreddb_km_km_4543067c9d8137,catpred_iteration1_km,km,A0A317RMF0,A0A317RMF0,MIRNSLTDVFFAKDDVENLHEGVLRVLSKVGVKIENDEALGIFEQHGARVENGTVYIGEVLLNKALQTVPANFELQGFDRTVQVGLDHDPVVIPTNGTPMVLNFDGSYSDTNTDDLVNFYKLIDTSDVMQVTSEIAVDVPGLDKTKDSLLAQTALLMKYSHKPIYNILGATIHNYKKGSVAQGVRENIQFAKKYYGYDDKYVIYSGTCVISPLGVGWEAMDHFMGFIKENQPISITACSMTNLTAPGSLYGSVVEDAAAILSIVVLSQLMNPGLPVLYTSLSSMSDMRYVQLCMGAPEFALITLGHIALANFYKIPVRVGGALGDAFKADYQAGVESFVGLMAPMLSQSAMIPHGCGTMGSFNLTSYEKFIMDEETIRYLMRLRRGFEVSDKRKEKALKDITKVGPRGNFLGGRTPKEYREDNYLASEVFNRKGCKENTREEQGDIRDRARKVYDARMEAYELPDTTLEQKKLLNTELPEQYKFDI,CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2],CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2],CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2]>>,public_strict_iteration1_fulltrue_msa,,0.1271047983648076,,s_bba254c483e2e7b845fcb0d4,test
catpreddb_km_km_456c0ad7ee1b29,catpred_iteration1_km,km,S5U4F4,S5U4F4,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPYQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKIADP,O=C/C=C/c1ccc(O)cc1,O=C/C=C/c1ccc(O)cc1,O=C/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.0254883072626717,,s_08cbf502c176a7783bac2948,test
catpreddb_km_km_459a253669ebbd,catpred_iteration1_km,km,Q95JH5,Q95JH5,MDPKYQRVALNDGHFMPVLGFGTYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.1191864077192086,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_45b998d146ebb4,catpred_iteration1_km,km,Q9BKL3,Q9BKL3,MSANNVKPFTVFVEGNIGSGKTTFLEHFRQFEDITLLTEPVEMWRDLKGCNLLELMYKDPEKWAMTFQSYVSLTMLDMHRRPAPTPVKLMERSLFSARYCFVEHIMRNNTLHPAQFAVLDEWFRFIQHNIPIDADLIVYLKTSPSIVYQRIKKRARSEEQCVPLSYIEELHRLHEDWLINRIHAECPAPVLVLDADLDLSQITDEYKRSEHQILRKAVNVVMSSPNKHSPKKPISTTPIKITPHMRIL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.853871964321762,,s_5ad77e9ef5727a1c2da6bd8c,test
catpreddb_km_km_45b99b15a69824,catpred_iteration1_km,km,Q9FDD4,Q9FDD4,MSSALTDLFPLPIVQAPMAGGVSVPQLAAAVCEAGGLGFLAAGYKTADGMYQEIKRLRGLTGRPFGVNVFMPQPELAESGAVEVYAHQLAGEAAWYETELGDPDGGRDDGYDAKLAVLLDDPVPVVSFHFGVPDREVIARLRRAGTLTLVTATTPEEARAVEAAGADAVIAQGVEAGGHQGTHRDSSEDDGAGIGLLSLLAQVREAVDIPVVAAGGIMRGGQIAAVLAAGADAAQLGTAFLATDESGAPGPHKRALTDPLFARTRLTRAFTGRPARSLVNRFLREHGPYAPAAYPDVHHLTSPLRKAAAKAGDAQGMALWAGQGHRMARELPAGRLVEVLAAELAEARTALSDASRENESRKG,CC(C)[N+](=O)[O-],CC(C)[N+](=O)[O-],CC(C)[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.921686475483602,,s_bc717ed91b40bf007e2a0ed3,test
catpreddb_km_km_45beb37400144d,catpred_iteration1_km,km,H0VM25,H0VM25,MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAITYALSVGYRHIDCAAVYGNETEIGEALKANVGPGKAVPREEVFVTSKLWNTKHHPEDVEPALRKTLTDLQLEYLDLYLMHWPYAFERGDNPFPKNADGTVRYDSTHYKETWKALEVLVAKGLVRALGLSNFSSRQIDDVLSVASVRPAVLQVESHPYLAQNELIAHCQAHGLEVTAYSPLGSSDRAWRHPDEPILLEDPLVLALAEKYGRSPAQILLRWQVQRKVICIPKSVTPSRILENIQVFDFTFNPEEMKQLDALNKNWRYIVPMITVDGKRVPRDAGHPLYPFNDPY,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12>>,public_strict_iteration1_fulltrue_msa,,-1.7153899847843537,,s_03d502bb58a0cf841239f73f,test
catpreddb_km_km_45e3a8f5581ce9,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,COC(=O)[C@H](CCCCN)N=C(O)[C@H](CC(C)C)N=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)[C@H](CC(C)C)N=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)[C@H](CC(C)C)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.9542425094393248,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_45e6788954f3c1,catpred_iteration1_km,km,D6QX86,D6QX86,MERMVMRLMRNKSLLAGASSRGGGGLASSSIVDSSPFSTLQQQQQEDPGVLNIRDTAAHLIGRTPLVYLNKVTEGCGARVAAKLEFLQPSFSVKDRPAISMIEDAEKKGLITPGKTTLIEPTSGNMGIGLAFMAALKGYELVLTMPSYTSLERRVVMKAFGAQLVLTDPXXGXXGTXRKATQLYDNHPSAFMLQQFENPANVQVHYETTGPEIWEDTLGQVDIFVMGIGSGGTVTGVGKYLKEKNPNAKIYGVEPAEANVLNGGKPGPHLITGNGVGFKPDILDMDIMEKVLEVKGEDAVKMAQQLALQEGLLVGISSGANTVAAIELAKRPENKGKLIVTVHPSAGERYLSSALFEGLRKEAEAMQPVPVD,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9138138523837168,,s_282d05140e834a8d683bbbb6,test
catpreddb_km_km_45eb01d40ae6cd,catpred_iteration1_km,km,B8HEC1,B8HEC1,MTNRTAETTDPGRRRLLGAGAVATLAGALTLGTTSSAQAADKAPDANIYDVTSWKIKGRPAVTAQVDIGAVINDIIADIKKRQASADSRPGAVITIPPGDYDLRTQVVVDISYLTIAGFGHGFFSRNIKDNVDTSGWLDLQPGGSHIRVLTAPTAPQAFLVRRDGSPRLSGVVFRDFCLDGVEFPPDGNSYRNGRTGIEVASDNDSFHITGMGFVYLEHALIVRGADALRVHDNMIAECGNCVELTGAGQATIVSDNLMGAGPDGVTLLAENHEGLLVTGNNLFPRGRSLVEMSGCNRCSVTSNRFQGFFPGMMRLVNNCKENLVTGNHFRRGMEGFPPFLGKSNGLDDLYGVVHIAGDNNLFSSNLIAYDVAPDRIVPAGARPTMVLIAGGDSNVVATNHVVSNVEGQNVVLDASTVRSKVLDSGPASRITSYSADTAIRPTP,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(OC[C@@]2(OC[C@@]3(OC[C@@]4(OC[C@@]5(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.111598524880394,,s_814a305c817ef7a93559bdf4,test
catpreddb_km_km_45f8b92d6e469c,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.1398790864012364,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_4603f68c783dd9,catpred_iteration1_km,km,B4Y0U1,B4Y0U1,MASLNKHIKIHEQCKVSPSSSSTQLSLPLTFFDYIWLRFHPVERIFFYTLPSSHSHPTFFFENLVPKLKSSLSLTLQHFLPLAGNIVWPSDSPKPFLQFNPNDDGVSLLLAQCDDDDVSFDKILEHNSPQEASLSRSFVPHLESSDSFASIISIQITLFPKNGFSIGISTHHAVLDGKSSTMFIKAWSSICKSLEEETQSLNLEPLLEPFLERELIEDPNDFENSFINTWNRISSHFDKSSVKSIKIMSSMFQPIIKDAVRETFELTREDLEKINKRVFSKWNNIEDGAQEKEQEQPKKLSTFVLTCAYVSVCIAKAIQQSESDKKQKFSIGFPVDCRSRLVPPIPKNYCGNCVSNHIVDTEPYDFTKEDGVVIVAKKIYGKTQEMDKGFLDGIETMMYKYMAMIGEGVKGIGVAGSTRFGVYEIDFGFGRPAKVEITSIDRGLTIGLTESKDLKGGVEIGLVLEKHVMDLFQAIFREGLCFD,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21>>,public_strict_iteration1_fulltrue_msa,,-0.9982662871909996,,s_e2910705b7cf72407b0b94ac,test
catpreddb_km_km_4608858141db38,catpred_iteration1_km,km,P04798,P04798,MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS,COP(=S)(OC)Oc1ccc(SC)c(C)c1,COP(=S)(OC)Oc1ccc(SC)c(C)c1,COP(=S)(OC)Oc1ccc(SC)c(C)c1>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_716474a92aa109ca90555f9e,test
catpreddb_km_km_462b2e33d62e50,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)C1CCC2=O,C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)C1CCC2=O,C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-2.6020599913279625,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_46300d75cee7fe,catpred_iteration1_km,km,Q96UT7,Q96UT7,MSRFHSLFAFVVASLTAVAHAGIGPVADLTITNAAVSPDGFSRQAVVVNGGTPGPLITGNMGDRFQLNVIDNLTNHTMLKSTSIHWHGFFQKGTNWADGPAFINQCPISSGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPAADLYDVDNDDTVITLVDWYHVAAKLGPAFPLGADATLINGKGRSPSTTTADLSVISVTPGKRYRFRLVSLSCDPNYTFSIDGHNMTIIETDSINTAPLVVDSIQIFAAQRYSFVLEANQAVDNYWIRANPNFGNVGFTGGINSAILRYDGAAAVEPTTTQTTSTAPLNEVNLHPLVATAVPGSPVAGGVDLAINMAFNFNGTNFFINGASFTPPTVPVLLQIISGAQNAQDLLPSGSVYSLPSNADIEISFPATAAAPGAPHPFHLHGHAFAVVRSAGSTVYNYDNPIFRDVVSTGTPAAGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVFAEDIPDVASANPVPQAWSDLCPTYDARDPSDQ,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_270cd71f8368b1336b9b25f1,test
catpreddb_km_km_463333b7487981,catpred_iteration1_km,km,Q5I6B5,Q5I6B5,MEKIEVSIISRDTIKPSAASSSLHPYKLSIIDQFTPTTYFPVIFFYPITDRVFNLPQTLTDLKNTVSQALTLYHPLSGRIKNNLYIDDFEAGIPYLEARVNFHMIDFLRLPKIEWLNEFVPMAPYRKETISEFLPLLGIQVNIFDSGIAIGVSFSHKINDGQTASCFLKSWVAIFRGYRNKIIHPNLSQAALLLPSRDDLPEKYVAMMERMWFGEKKVVTRRFVFDAKAISALQDEGKSEYVPKPSRVQALTGFLWKHQLAASRALSSGTSTRFSVASQTVNLRSKMNMKTTLDNAIGNIFLWASARLDLNDTAPGSSDLKLCDLVNLLNESIKEFNSDYLEILKGKEGYGGMCDLLDFMEEGSFVEPAPEFYSFSSWTRFFDQVDFGWGRPSWVGFSGRVETRNFTIFVETQCDDGIDAWVTVDEKQMAMLEQDPQFLAFASPNPRISIASSVGMD,OCCc1ccccc1,OCCc1ccccc1,OCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.5314789170422551,,s_c7bbaddd8533855138d88c4c,test
catpreddb_km_km_4635a8fa9c5e06,catpred_iteration1_km,km,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,COc1cccc(C(=O)[C@H](O)c2cccc(OC)c2)c1,COc1cccc(C(=O)[C@H](O)c2cccc(OC)c2)c1,COc1cccc(C(=O)[C@H](O)c2cccc(OC)c2)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_1f8beb386de84deb2f180511,test
catpreddb_km_km_463a87f73b6eac,catpred_iteration1_km,km,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.6179877976444672,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_4642362b8044cf,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.621176281775035,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_4652459559c9de,catpred_iteration1_km,km,I3EBM6,I3EBM6,MPLVSMTEMLNKAKAEGYAVGQFNLNNLEFTQAILLAAEEEKSPVILGVSEGAGRYMGGFKTVVNMVKGLMEDYKITVPVAIHLDHGSSFEKCKEVIDAGFTSVMIDASHHPFEENVEVTKKVVEYAHARGVSVEAELGTVGGQEDDVIADGVIYADPKECEELVKRTGIDCLAPALGSVHGPYKGEPNLGFKEMEEIGRITGVPLVLHGGTGIPTKDIQRAISLGTAKINVNTENQIASAKKVREVLAENPNMYDPRKYLGPARDAIKETVIGKMREFGSSGKA,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_dfd08d794d93cb583b2aee40,test
catpreddb_km_km_465c451121d026,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.2329869469719323,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_4683e1106d40d8,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,O=C(O)CCl,O=C(O)CCl,O=C(O)CCl>>,public_strict_iteration1_fulltrue_msa,,-0.1426675035687315,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_468e8d27ac35ab,catpred_iteration1_km,km,P55772,P55772,MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.9208187539523751,,s_1d6314abafdcf5412b30cbfd,test
catpreddb_km_km_46a1fb27c54f89,catpred_iteration1_km,km,A0A482P6A8,A0A482P6A8,MEESKVSLNDKNEGRWCLKGTTALVTGGSKGIGYAIVEELAGLGARVYTCSRNEKELQECLDIWKKNGLNVEGSVCDLLSRTEREKLMQTVAHVFDEKLNILVNNAGVVIHKEAKDFTEEDYNIIMGTNFEAAYHLSQIAYPLLKASQNGNVIFLSSIAGFSALPSVALYSASKGAINQMTKNLACEWAKDNIRVNSVAPGVILTPLVETAIKKNPHQKEEIDNFIVKTPMGRAGKPQEVSALIAFLCFPAASYITGQIIWADGGFTANGGF,CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,CN1[C@@H]2CC[C@H]1C[C@@H](O)C2,CN1[C@@H]2CC[C@H]1C[C@@H](O)C2>>,public_strict_iteration1_fulltrue_msa,,-0.7258421507363202,,s_f98c926f36109796b46ceace,test
catpreddb_km_km_46b24a0534dfaf,catpred_iteration1_km,km,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,CC(O)=Nc1ccc(/C=N/NC(=N)S)cc1,CC(O)=Nc1ccc(/C=N/NC(=N)S)cc1,CC(O)=Nc1ccc(/C=N/NC(=N)S)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.197377805656408,,s_709e219952fa967255321ee7,test
catpreddb_km_km_46bd9e58da25f1,catpred_iteration1_km,km,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.408935392973501,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_km_km_46c228571d29d4,catpred_iteration1_km,km,P04035,P04035,MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVTQKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNSSLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_53ca26e9a4eeb6dc55931307,test
catpreddb_km_km_46fa7618cbe114,catpred_iteration1_km,km,Q60GK5,Q60GK5,MTIDLYYVPGSAPCRAVLLTAKALNLNLNLKLVDLHHGEQLKPEYLKLNPQHTVPTLVDDGLSIWESRAIITYLVNKYAKGSSLYPEDPKARALVDQRLYFDIGTLYQRFSDYFYPQVFAGAPADKAKNEKVQEALQLLDKFLEGQKYVAGPNLTVADLSLIASVSSLEASDIDFKKYANVKRWYETVKSTAPGYQEANEKGLEAFKGLVNSMLKK,CCCCCC(O)/C=C/C=O,CCCCCC(O)/C=C/C=O,CCCCCC(O)/C=C/C=O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_e62f0222fc13faae897a1b82,test
catpreddb_km_km_4704b726cec3fb,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_47145f533e4272,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-1.0268721464003014,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_4717ccd1021502,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],C[C@H](N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.958607314841775,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_471ecfd77b0b96,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,N[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.146128035678238,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_472457547908cf,catpred_iteration1_km,km,B6E9W4,B6E9W4,MTTGDKAKPQSTPASGDIDQQALFFHRYPRPGKLEIQPTKPLGNQRDLALAYSPGVAAPCLAIKDDPESAADFTARSNLVAVVSNGTAVLGLGNIGPLASKPVMEGKAVLFKKFAGIDVFDIEIDAPTVERMVDVVSALEPTFGGINLEDIKAPECFEVERQLREKMEIPVFHDDQHGTAIIVAAAVLNGLELAGKDITKAKIVASGAGAAALACLNLLVTLGAKRENIWVHDLEGLVYKGREVLMDEWKAVYAQDSANRVLADSIGGADVFLGLSAAGVLKPELLAQMAEKPLIMALANPTPEIMPEVARAARPDAMICTGRSDFPNQVNNVLCFPHIFRGALDCGARTINEEMKMAAVRAIAGLAREEPSDVAARAYSGETPVFGPDYLIPSPFDQRLILRIAPAVAKAAAESGVATRPIQDFDAYLDKLNRFVFRSGFIMKPVFAAAKNAPKNRVIFAEGEDERVLRAAQVLLEEGTAKPILIGRPQIIETRLRRYGLRIRPDVDFEVVNPEGDPRYRDYVDEYFALVGRLGVIPEAARTIVRTNTTVIGALAVKRGEADALICGVEGRYSRHLRDVSQIIGKKPGVLDFSALSLLISQRGATFFTDTYVSYNPSAEEIAQTTVMAAGEIRRFGITPHAALVSHSNFGSRESESAAKMRAALKLVRELAPDLEVDGEMHGDAAISETLRERVMPNSTLKGEANLLVFPNLDAANITLGVVKTMTDSLHVGPILLGSALPAHILSPSVTSRGVVNMAALAVVEASHPA,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3623262079625591,,s_790e3b8aa3d58c531675d543,test
catpreddb_km_km_472e27c7a31eb1,catpred_iteration1_km,km,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H](N=C(O)[C@H](Cc3ccc(O)cc3)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.1307682802690238,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_km_km_473de048e2a639,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.2071885917336448,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_47423c2f8a655a,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CCC(=O)CC1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,C[C@]12CCC(=O)CC1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,C[C@]12CCC(=O)CC1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_4743088183f494,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_4746631546b1d6,catpred_iteration1_km,km,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1,O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1,O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1>>,public_strict_iteration1_fulltrue_msa,,-0.1611509092627447,,s_668310886d09794f507cf2a6,test
catpreddb_km_km_47538a464bfa86,catpred_iteration1_km,km,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,O=C(O)c1cc(O)c2ccccc2c1O,O=C(O)c1cc(O)c2ccccc2c1O,O=C(O)c1cc(O)c2ccccc2c1O>>,public_strict_iteration1_fulltrue_msa,,-1.619788758288394,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_km_km_476e1a0777dfeb,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O>>,public_strict_iteration1_fulltrue_msa,,-1.4436974992327127,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_476f4835552680,catpred_iteration1_km,km,Q4CQE2,Q4CQE2,MTRRVAIGTDHPAFAIHENLILYVKEAGDEFVPVYCGPKTAESVDYPDFASRVAEMVARKEVEFGVLACGSGIGMSIAANKVPGVRAALCHDHYTAAMSRIHNDANIVCVGERTTGVEVIREIIITFLQTPFSGEERHVRRIEKIRAIEASHAGKKGVQ,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.6989700043360189,,s_9147ec93dd1fe32e101c7386,test
catpreddb_km_km_4776e6d385a1cf,catpred_iteration1_km,km,Q8KZT3,Q8KZT3,MPLITTETGKKMHVLEDGRKLITVIPGDGVGPECVEATLKVLEAAKAPLAYEVREAGASVFRRGIASGVPQETIESIRKTRVVLKGPLETPVGYGEKSANVTLRKLFETYANVRPVREFPNVPTPYAGRGIDLVVVRENVEDLYAGIEHMQTPSVAQTLKLISWKGSEKIVRFAFELARAEGRKKVHCATKSNIMKLAEGTLKRAFEQVAQEYPDIEAVHIIVDNAAHQLVKRPEQFEVIVTTNMNGDILSDLTSGLIGGLGFAPSANIGNEVAIFEAVHGSAPKYAGKNVINPTAVLLSAVMMLRYLEEFATADLIENALLYTLEEGRVLTGDVVGYDRGAKTTEYTEAIIQNLGKTPRKTQVRGYKPFRLPQVDGAIAPIVPRSRRVVGVDVFVETNLLPEALGKALEDLAAGTPFRLKMISNRGTQVYPPTGGLTDLVDHYRCRFLYTGEGEAKDPEILDLVSRVASRFRWMHLEKLQEFDGEPGFTKAQGED,O=C(O)CCC(C(=O)O)C(O)C(=O)O,O=C(O)CCC(C(=O)O)C(O)C(=O)O,O=C(O)CCC(C(=O)O)C(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9430951486635272,,s_3c7f8e07386ae675c0ef0fed,test
catpreddb_km_km_4791f37563bdc1,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-3.1487416512809245,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_4795bd45bf58bb,catpred_iteration1_km,km,E3VXL5,E3VXL5,MKWLIFGNKGWIGSMVSKILEQQGEQVVGAQSRADDESAVEREISEIKPDRVMSFIGRTHGPGYSTIDYLEQSGKLVENVKDNLYGPLCLAFICQKYNIHLTYLGTGCIFEGQNNFSADEKGFTENDKPNFFGSSYSVVKGFTDRLMHFFDNDVLNLRIRMPITIEQNPRSFITKILSYSRICSIPNSMTILDQMIPVMIDMARNKTTGTFNFTNPGLVSHNEILSLIRDIHKPNLTWENMSREQQLAILKADRSNNLLNTDKLQSLYPDVPDILTGIREVVSKMKFQQ,C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O,C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O,C[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O>>,public_strict_iteration1_fulltrue_msa,,0.2624510897304295,,s_10efb6d6b3eac1a942d4556d,test
catpreddb_km_km_479d80fda6ad37,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,CC(C)NCC(O)c1ccc(O)c(O)c1,CC(C)NCC(O)c1ccc(O)c(O)c1,CC(C)NCC(O)c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,1.763427993562937,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_47a4dd6081e0ab,catpred_iteration1_km,km,A0A841A5T7,A0A841A5T7,MAQERVALVTGGTRGIGAAISKRLKDKGYKVAANYGGNDEAANAFKAETGIPVFKFDVGDLASCEAGIKAIEAEVGPIDILVNNAGITRDGAFHKMTFEKWQAVIKTNLDSMFTCTRPLIEGMRSRNFGRIIIISSINGQKGQAGQTNYSAAKAGVIGFAKALAQESASKGVTVNVVAPGYIATEMVMAVPEDIRNKIISTIPTGRLGEADEIAHAVEYLASDEAGFVTGSTLTINGGQHFV,C[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@@H](O)CC(=O)SCCN=C(O)CCN=C(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_a9fe2bf93c0f5cd76f176392,test
catpreddb_km_km_47c0f17652310f,catpred_iteration1_km,km,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5920815154475862,,s_bae6cc38bc66160b71e73176,test
catpreddb_km_km_47c3476be0fab1,catpred_iteration1_km,km,Q8I6T2,Q8I6T2,MGKHIRILKNQYLQFMSKRCIQSKAAFNICGKINVENPIVELDGDEMTRIIWKDIKEKLILPYVNLKIKYFDLSIENRDKTNDQVTIEAAEEIKKTSVGIKCATITPDAARVKEFNLKEMWKSPNGTIRNILDGTVFRTPILIKNIPKLVPNWKKPIVIGRHAYADQYKQKSLKIEKSGKFEIVFTPDDNSQVLRETVFHFKSPGVCLGMYNTEESIRNFALSCFQYALDLKMPVYMSTKSTILKIYDGLFKDIFDEIYEKQFKKSFEQHNLWYEHKLIDDMVAQVLKSEGGFLWACKNYDGDIQSDAVAQGYGSLGLMSSVLLCPDGVTCVSEAAHGTVTRHYRAYQKGEKTSTNPIASIFAWTKGLEHRAKLDKNDNLKQFCYALEKACIETVEDGLMSKDLAGCIKGIKNVTEKDYIFTQDLINAINEKLKLKILQNQSKNDPQATSYKLKNDNWNFYAPQEHST,[Mg+2],[Mg+2],[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_b3ad33c11b0f353dcc833904,test
catpreddb_km_km_47c90e95d05658,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_47daab8565beae,catpred_iteration1_km,km,A0A0A0LRC6,A0A0A0LRC6,MSITQISLSFPLAYASRYCAPSLGLFFNLSLHRRRRRPRLLSTALPPTTSSVPKTTVTTIVSFLPRFLDPHFLTGNCLLSRMERFWSGSGIGTNKDMVEKLQTYGVVRSKRVSEVMESIDRAFFVPDDVPPYVDTPVPIGYNATISAPHMHATCLQLLEKHLQPGMRALDVGSGTGYLTACFALMVGPEGRVVGVEHIPELVASSMENIKKSAAAPLLKEGSLSLHVGDGRQGWAECAPYDAIHVGAAAAEIPPALIDQLKPGGRMVIPVGNVFQDLKVVDKDSDGSVSIHDETSVRYVPLTSREAQLRDD,CC(C)[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@H](CC(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](C)C(=O)O)C(=O)O,CC(C)[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@H](CC(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](C)C(=O)O)C(=O)O,CC(C)[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@H](CC(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](C)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4202164033831898,,s_1f9fe3bd5b9d1c2530b987b0,test
catpreddb_km_km_47daf637efde58,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3676923054360684,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_47e144869616c2,catpred_iteration1_km,km,Q4X1A4,Q4X1A4,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.1249387366082999,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_47ee7d3434f5fd,catpred_iteration1_km,km,P36269,P36269,MARGYGATVSLVLLGLGLALAVIVLAVVLSRHQAPCGPQAFAHAAVAADSKVCSDIGRAILQQQGSPVDATIAALVCTSVVNPQSMGLGGGVIFTIYNVTTGKVEVINARETVPASHAPSLLDQCAQALPLGTGAQWIGVPGELRGYAEAHRRHGRLPWAQLFQPTIALLRGGHVVAPVLSRFLHNSILRPSLQASTLRQLFFNGTEPLRPQDPLPWPALATTLETVATEGVEVFYTGRLGQMLVEDIAKEGSQLTLQDLAKFQPEVVDALEVPLGDYTLYSPPPPAGGAILSFILNVLRGFNFSTESMARPEGRVNVYHHLVETLKFAKGQRWRLGDPRSHPKLQNASRDLLGETLAQLIRQQIDGRGDHQLSHYSLAEAWGHGTGTSHVSVLGEDGSAVAATSTINTPFGAMVYSPRTGIILNNELLDLCERCPRGSGTTPSPVSGDRVGGAPGRCWPPVPGERSPSSMVPSILINKAQGSKLVIGGAGGELIISAVAQAIMSKLWLGFDLRAAIAAPILHVNSKGCVEYEPNFSQEVQRGLQDRGQNQTQRPFFLNVVQAVSQEGACVYAVSDLRKSGEAAGY,CSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O,CSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O,CSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.739928612014925,,s_3e522460abccf995f0eab705,test
catpreddb_km_km_47ef1d3a2edfe4,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.3010299956639813,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_47ffe9323a5d67,catpred_iteration1_km,km,B0VH76,B0VH76,MAEKLKLARSMSLFEEAKQLVPGGVAGIRRPYNFVPGEYPIFFDHGKGGRVVDVDGNEYIDFLCAYGPIIIGYREDEIDDAVINQIKNKGFCFSLTQEMQNTLVKKLRELIPCCEMAALVKTGSDATTIAIRVARGYTGKTKIARYGYHGWHDWCVEVKGGIPPKLYEDIYEFHYNDLDSLKAILEANKDDMAGIIITPIGHPNGAEVQMPKPGYLEAVRELANQYHCLLIFDEIRSGFRCSLGGAQKLFGVTPDLSTFGKAMANGYAIAALVGKEEYMQVLADKVFLSSTFFPNSDGIVAAIKTIEILERDRILDVVAAKGRKFGAEVEKVVEESGVPVNFTGAPWMPYITFKKDEAGLYKKLRTEYYTQLIRHNVFMQPYHHGYICYRHTDEDLAYTVEAIRESLAEVKKML,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_cb5f03968ec2a3ea41ee648c,test
catpreddb_km_km_48227718c5a7fb,catpred_iteration1_km,km,Q3S4B7,Q3S4B7,MSDNPADLPVLVAGGGIGGLAAALALVRRGFSVKVLEQAPEIGEIGAGIQLGPNAFHAFDALGIGEKARGRAVYTDEMVMHDAIDGSLVGRIPTGEAFRQRFGNPYAVIHRVDVHLSLLEGAQETGKVEFLTSTRALRIEQDEGSVTVYDQHGNAHKGIALIGADGVKSVVREQFVGDAARVTGHVVYRAVVDKKDFPESLQWNAASIWVGPNCHLVHYPLRGGEQYNVVVTFHSRQPEQWGVTEGSKEEVQSYFQGICPQARQLIDLPKTWKRWATADREPIGQWSFGRVTLLGDAAHPTTQYMAQGACMAMEDGVTLGEALRVNNNDFPKAFELYQRSRVARTARIVLSSREMGRIYHAQGVERLVRNDLWKGRTPERFYDAMEWLYGWNVGNCLAKD,O=C(O)c1cccc(O)c1,O=C(O)c1cccc(O)c1,O=C(O)c1cccc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1877553031996309,,s_1463817ddd6ab20b700ea94c,test
catpreddb_km_km_4832c831d0f2be,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)C1CC1c1ccccc1,O=C(O)CN=C(O)C1CC1c1ccccc1,O=C(O)CN=C(O)C1CC1c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_487d6c3d74159f,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6334684555795865,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_48932d22495263,catpred_iteration1_km,km,Q7SI97,Q7SI97,MAPKAKIVLVGSGMIGGVMATLIVQKNLGDVVMFDIVKNMPHGKALDTSHTNVMAYSNCKVSGSNTYDDLKDADVVIVTAGFTKAPGKSDKEWNRDDLLPLNNKIMIEIGGHIKNNCPNAFIIVVTNPVDVMVQLLHQHSGVPKNKIVGLGGVLDTSRLKYYISQKLNVCPRDVNAHIVGAHGNKMVLLKRYITVGGIPLQEFINNKKITDQELDAIFDRTINTALEIVNLHASPYVAPAAAIIEMAESYIRDLRKVLICSTLLEGQYGHKDIFAGTPLVIGGNGVEQVIELQLNADEKKKFDEAVAETSRMKALI,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_cdd51448777a436db21c296b,test
catpreddb_km_km_489662f9e566b1,catpred_iteration1_km,km,Q2FYG6,Q2FYG6,MNNEIKKVEQRLEKAIKSKDSVLEQASLHLLSSGGKRVRPAFVILSSQFGKDEQTSEQTYQVAVALELIHMATLVHDDVIDKSDKRRGKLTISKKWDQTTAILTGNFLLALGLEHLMAVKDNRVHQLISESIVDVCRGELFQFQDQFNSQQTIINYLRRINRKTALLIQISTEVGAITSQSDKETVRKLKMIGHYIGMSFQIIDDVLDFTSTEKKLGKPVGSDLLNGHITLPILLEMRKNPDFKLKIEQLRRDSERKEFEECIQIIRKSDSIDEAKAVSSKYLSKALNLISELPDGHPKSLLLSLTKKMGSRNT,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_39ef35d84d6aced620f47c23,test
catpreddb_km_km_48977e71305c6e,catpred_iteration1_km,km,Q54528,Q54528,MSERIVPSGDVELWSDDFGDPADPALLLVMGGNLSALGWPDEFARRLADGGLHVIRYDHRDTGRSTTRDFAAHPYGFGELAADAVAVLDGWGVDRAHVVGLSMGATITQVIALDHHDRLSSLTMLLGGGLDIDFDANIERVMRGEPTLDGLPGPQQPFLDALALMNQPAEGRAAEVAKRVSKWRILSGTGVPFDDAEYARWEERAIDHAGGVLAEPYAHYSLTLPPPSRAAELREVTVPTLVIQAEHDPIAPAPHGKHLAGLIPTARLAEIPGMGHALPSSVHGPLAEVILAHTRSAA,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC>>,public_strict_iteration1_fulltrue_msa,,-1.809668301829709,,s_877b99ad881a57aa8e5f1096,test
catpreddb_km_km_48a2f3cae1cef7,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)cc1Br)C(=O)O,N[C@@H](Cc1ccc(O)cc1Br)C(=O)O,N[C@@H](Cc1ccc(O)cc1Br)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_48f4ef1a5c94d7,catpred_iteration1_km,km,A0A1E3P8S6,A0A1E3P8S6,MFFTKVLNNQVANGLKQLPVHKRVQMAYDLHIPNKTVNPNLNIRSHEPIVFVHGIFGSKKNYRHDCQKIANVTHTPVYTIDLRNHGQSMHALPFDYETLAQDVTDFCEDHGLKKVNLIGYSLGAKICMLTMLQNPDLVRSGVIIDNSPIEQPHIEIFLTQFIKSMLHVLNSTKIRADDKDWKSKANQAMRRYIPNGGIRDYLLANLINKVPKGYKSPVINYDDGYIHFQNPVRHMTEVAVKNVSAWPTEHVKGLKFEGQVRFLKGTKSAFIDEKGLEAIKEYFPNYSLSELNATHFILNERPQEYVKLICDFIKVNRYKSLQEHIRHVENFSSAELEARHNAEHERQMEELRQLTQTTPTAEQVKTIDNLASKVDLSATERQQQQNKEITV,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.4941545940184428,,s_acc9e9dd92688fc2e008b1bd,test
catpreddb_km_km_48fe72bec81529,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2742561281705177,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_48fecd847bfbbf,catpred_iteration1_km,km,Q8LPA6,Q8LPA6,MQRSGLRLASSRSAPIWKVGDVVLHGAAAEDNAQTRLVFSKDTKDFLSELNRQFAYEVVELSKHRKGLHESIRRTLPSGQVELPTLAGANDPNWKVAPTPEVLQKRRVEITGPANDAKMVINMLNSGADACMIDLEDAMAPSGKNVVEGHFNIYKAARGELVYEQPLGDGKFKRYQIGQTPSTLMVRVRGLHMKEVHATAAHVGPVPATLFDIGVHLANNGKYLQDHGLGPFLYIPKLHSGVEAEVLEKVLAYCEKQLQLTENGTKVTTLIETLPAIFQTEEIAYALKNRIVGQNCGRWDWLASRNYYLSGQKEAIHPDREYLGMEQSFNKAYSQRVCQTAKKRGFHAMGGMSAFIPVSGDQAKTAEAIQKVVVDKALEIENGHDGAWVAHPGMVEAVLDQFKKAFGDAPHQKSSSKSVDAKISTKDIIEVPKDLQDASKRTEKGLRQNISVALQYMGHYLQGNGAAGINNMMEDLATFEMSRHHIRSWVDSKVEITFADESRPDTLWVKPEDPGNLALKLNNFLGLQDKIQMVDTIHQLQALRSLPQGQFREGLRALQSQVNTYSDFHDISILADLEQGYGDVKYTRYGVTKAIQNGISMLHIEDQGPKKRCGHLGDKELDTFDHAIEIMTAANYAAQEVLGPEQAKENLCRFVFRTDALSATRIVYSKAVEDPSHIDHKYIDWDRGFCPDGRYLWLKKDTNPATGNPYGLDQSIDRASEMVRRGLASFVWMETPDAEVRIAQAFLEGVNERLKNTGRQALGLYNFSPSFIWDKNYYPDAKKLALQVATFAQDNLISRVQSGAISHEQAMSELKQFLDTNGDKVRGDHLFTTQNLERLYSHAMDHCRTANGWSGDITKANDLISQQFASNLKFRLQREIERTQQGGYNPVHHMSNIVVGQRIKHFSSALEKIGFMAQLITLPQFHTEAERGYSVARAYQQQGIEGYVQHVQRVEEHLPSGYTFLGHQKAVGTGVEAQLYENLFAKASAILHDSTEKHFH,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2799109501451909,,s_1dbd72bf0152d16fa32eb734,test
catpreddb_km_km_490ffe8503c4d0,catpred_iteration1_km,km,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4089353929735008,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_km_km_491878d52702bf,catpred_iteration1_km,km,Q9FZ80,Q9FZ80,MESKTINDVVVSESNHELASSSPSEFEKNQKHYQEIIATLPHKDGWRPKDPFVEYGGHWWLQPLLEGLLHAQKFFKARPNDFFVCSYPKTGTTWLKALTFAIANRSKFDVSTNPLLKRNPHEFVPYIEIDFPFFPSVDVLKDEGNTLFSTHIPYDLLPESVVKSGCKIVYIWRDPKDTFVSMWTFAHKERSQQGPVVSIEEAFDKYCQGLSAYGPYLDHVLGYWKAYQANPDQILFLKYETMRADPLPYVKRLAEFMGYGFTKEEEEGNVVEKVVKLCSFETLKNLEANKGEKDREDRPAVYANSAYFRKGKVGDWQNYLTPEMVARIDGLMEEKFKGTGFLSSKS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_b47d79f0e22cf86dfe36ec07,test
catpreddb_km_km_493e01071ff797,catpred_iteration1_km,km,A0A7I8I5R5,A0A7I8I5R5,MYDLIVIGAGSGGVRASRISAGHGAKVALIEPSLSHGPPNFSAVGGTCVNVGCVPKKLMVYGSHMSHDLHYAKSYGWHTPDHVAHDWGTLMANKDKEISRLNGVYINMLKNSGVDLIQGFGSFVDAHTVAIKADQAENPAGRTITGDKVLIATGSWPFVPDIPGKEYCVTSNEAFYLRECPKRIVIVGGGYIAVEFACIFKGYGADVTLMYRGEMFLRGFDDDIRRHLCTEMQELGVHVQLQTNPAKVEKKEDGTYEVTTEKGEVVAADLVMYATGRNPNVKALGLEAVGVELLPKNGAIKVDAYSRTTVDNIYAVGDVTDRINLTPVALHEGHCLADTLFGGKDRKPCHDLVAAAVFSQPPIGTVGLTTERAIQRHERVAVYKSTFRPMLHTMTGAATKALMKILVDVDTDKVLGVHMCGPDAAEIIQGIAIALKMGATKADFDATIGIHPSSAEEFVTMRSPAYYYVKGEKVEKLP,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_0c8b8c2eb2d3f1d4266374b8,test
catpreddb_km_km_496b910d52e3f3,catpred_iteration1_km,km,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_km_km_49711e2f8758b2,catpred_iteration1_km,km,Q5TCS8,Q5TCS8,MTSQEKTEEYPFADIFDEDETERNFLLSKPVCFVVFGKPGVGKTTLARYITQAWKCIRVEALPILEEQIAAETESGVMLQSMLISGQSIPDELVIKLMLEKLNSPEVCHFGYIITEIPSLSQDAMTTLQQIELIKNLNLKPDVIINIKCPDYDLCQRISGQRQHNNTGYIYSRDQWDPEVIENHRKKKKEAQKDGKGEEEEEEEEQEEEEAFIAEMQMVAEILHHLVQRPEDYLENVENIVKLYKETILQTLEEVMAEHNPQYLIELNGNKPAEELFMIVMDRLKYLNLKRAAILTKLQGAEEEINDTMENDELFRTLASYKLIAPRYRWQRSKWGRTCPVNLKDGNIYSGLPDYSVSFLGKIYCLSSEEALKPFLLNPRPYLLPPMPGPPCKVFILGPQYSGKTTLCNMLAENYKGKVVDYAQLVQPRFDKARETLVENTIAEATAAAIKVVKEKLLRELQARKQAETALREFQRQYEKMEFGVFPMEATHSSIDEEGYIRIIIVGPPKSGKTTVAKKITSEYGLKHLSIGGALRYVLNNHPETELALMLNWHLHKGMTAPDELAIQALELSLMESVCNTAGVVIDGYPVTKHQMNLLEARSIIPMVIFELSVPSKEIFKRLLLEKENEQRLPYPLHNSAQIVAVNNVKYRKNIGEIRQYYQEQHQNWYVIDGFHSKWWVWNEVIKNVQMVNKYMQTYLERIKAGKAACIDKLCITPQELLSRLGEFEQFCPVSLAESQELFDCSATDSLEFAAEFRGHYYKMSSQEKLNKFLENPELYVPPLAPHPLPSADMIPKRLTLSELKSRFPKCAELQGYCPVTYKDGNQRYEALVPGSINYALEYHNRIYICENKEKLQKFLRSPLKYWEQKLPHKLPPLREPILLTSLPLPGYLEQGIATSLIKAMNAAGCLKPKFPFLSIRRSALLYIALHLKAFNPKGSEYTRKKYKKKMEQFMESCELITYLGAKMTRKYKEPQFRAIDFDHKLKTFLSLRNIDPING,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_5769cc0d347788c6f3637827,test
catpreddb_km_km_4985a0b104e74b,catpred_iteration1_km,km,P11935,P11935,MTSKVPVFRLDDLKSGKVLTELAEAVTTKGIFYLTESGLVDDDHTSARETCVDFFKNGSEEEKRAVTLADRNARRGFSALEWESTAVVTETGKYSDYSTCYSMGIGGNLFPNRGFEDVWQDYFDRMYGAAKDVARAVLNSVGAPLAGEDIDDFVECDPLLRLRYFPEVPEDRVAEEEPLRMGPHYDLSTITLVHQTACANGFVSLQCEVDGEFVDLPTLPGAMVVFCGAVGTLATGGKVKAPKHRVKSPGRDQRVGSSRTSSVFFLRPKPDFSFNVQQSREWGFNVRIPSERTTFREWLGGNYVNMRRDKPAAAEAAVPAAAPVSTAAPIAT,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7810369386211319,,s_0d499f79c125a35e6add624c,test
catpreddb_km_km_499497506c0720,catpred_iteration1_km,km,Q9LW56,Q9LW56,MDKYKVAGKFGLPDITVAEMESLASFCEAVLPSVQPPPEELSGEGDNHRNKEALRSFYSTSGSKTPVLRQSIELVTKRGTIEAYIATRLILFLLATRLGTLLICGTECLVSRWPFVEKFSELSLEKRERVLQKQFKNWILTPIRAAFVYIKVAFLFCFFSRVNPNGENPAWEAIGYRVNPDENKPSETHNERPLEKGIVETMEETEQTLLESLAHKGLEAVLDTEHDAIRIKCDVVVVGSGSGGGVAASVLAKSGLKVVVLEKGSYFTPSEHRPFEGPGLDKLYENGGILPSVDGSFMVLAGATVGGGSAVNWSACIKTPKSVLQEWSEDQNIPLFGTKEYLTAMEVVWKRMGVTEKCELESFQNQILRKGCENLGFNVENVPRNSSESHYCGSCGYGCRQGDKKGSDRTWLVDAVGHGAVILTGCKAERFILEKNGSNKGGKQMKCLGVMAKSLNGNIAKMLKIEAKVTVSAGGALLTPPLMISSGLRNRNIGKNLHLHPVLMAWGYFPDKESSNISFKGNSYEGGIITSVSKVLSEDSEVRAIIETPQLGPGSFSVLTPWTSGLDMKKRMARYSRTASLITIVRDRGSGEVKTEGRINYTVDKTDRDNLKAGLRESLRILIAAGAEEVGTHRSDGQRLICKGVNENSIQEFLDSVSTEEGAKGMTEKWNVYSSAHQMGSCRIGENEKEGAIDLNGESWEAEKLFVCDASALPSAVGVNPMITVMSTAYCISTRIAKSMTTGLSH,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO>>,public_strict_iteration1_fulltrue_msa,,-0.1674910872937636,,s_fc221720903d768f7519f3ea,test
catpreddb_km_km_499d2a0532122d,catpred_iteration1_km,km,Q9VEI3,Q9VEI3,MYAYNKMGRVPELVICSFIVVTLLVIHFFSDLLRASLGGYYNQDVTLSQLVESQNSDYAWFLKLLVNCFGYSCVFVPGFLIYKYVGRINYLERGNKTFLHKAINMCITGNSGYDQLDAGTSTADKDRPAASTAPKRTSSQEAVQLLWCFGGLMISYLTWGVLQEKIMTQNYLNFTGESAKFKDSQFLVFSNRLLAFLVALAYLQWQPSPVRHRAPLYKYSYASFSNIMSAWFQYEALKFVNFPTQVLAKSCKIIPVMLMGKIMSKAKYESYEYVTALLISLGMIFFMSGSSDSSKASGVTTLTGIFLLSMYMVFDSFTANWQGSLFKSYGMTPLQMMCGVNLFSSIFTGASLSMQGGFMDSLAFATEHPKFVFDMVVLSVCSAVGQLFIYHTIDVFGPVVFTIIMTLRQAVAIMLSCFIYQHSISLLGIFGVLIVFVAIFLRVYCTQRLRAIRKRAEANKPKMAV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_0d05fd33fbeb3b6174409a6c,test
catpreddb_km_km_49ceae1c3deb51,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,COc1ccc(N)cc1,COc1ccc(N)cc1,COc1ccc(N)cc1>>,public_strict_iteration1_fulltrue_msa,,0.255272505103306,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_49df99a5c46b56,catpred_iteration1_km,km,A0A1S5R263,A0A1S5R263,MADTFTQRYALVTGANKGIGLEICRQLASKGIVVILASRDEKRGLEARERLLKESRSISDGDVVFHQLDVVDPASVVVVADFIKTKFGRLDILVNNAGVGGVEIEGDISVFQEYAEANLNIIAAKGAQAHPFHPKTNGKMIETLKDAKECIETNYYGTKRVTEALIPLLQKSDSPTIVNVSSALSTLLLQPNEWAKGVFSSEDSSLNEEKVEEVLHEFHKDFIDGKLQQNNWPPNFAAYKVSKEAVNAYTRIIARKYPSFCINSVCPGFVRTDICYSLGQLSEAEGAEAPVKLALLPRGGPSGSFFFREEALSLY,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.7328282715969865,,s_2b36d9cf1f15751f8b1cf0b8,test
catpreddb_km_km_49e446a2a987fe,catpred_iteration1_km,km,O50215,O50215,MTLKKDMAVDIDSTNFRQAVALFATGIAVLSAETEEGDVHGMTVNSFTSISLDPPTVMVSLKSGRMHELLTQGGRFGVSLLGESQKVFSAFFSKRAMDDTPPPAFTIQAGLPTLQGAMAWFECEVESTVQVHDHTLFIARVSACGTPEANTPQPLLFFASRYHGNPLPLN,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.6393008122392474,,s_b28907c2bd04d1cb9aa313a2,test
catpreddb_km_km_49f0a82621d097,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,O=C(O)CS,O=C(O)CS,O=C(O)CS>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_4a02fc527fd469,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4001224113732626,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_4a8fca67015eac,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CCCCCCCCCC(=O)O,CCCCCCCCCC(=O)O,CCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.2265071222807937,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_4a909fcc9f2aa3,catpred_iteration1_km,km,P42785,P42785,MGRRALLLLLLSFLAPWATIALRPALRALGSLHLPTNPTSLPAVAKNYSVLYFQQKVDHFGFNTVKTFNQRYLVADKYWKKNGGSILFYTGNEGDIIWFCNNTGFMWDVAEELKAMLVFAEHRYYGESLPFGDNSFKDSRHLNFLTSEQALADFAELIKHLKRTIPGAENQPVIAIGGSYGGMLAAWFRMKYPHMVVGALAASAPIWQFEDLVPCGVFMKIVTTDFRKSGPHCSESIHRSWDAINRLSNTGSGLQWLTGALHLCSPLTSQDIQHLKDWISETWVNLAMVDYPYASNFLQPLPAWPIKVVCQYLKNPNVSDSLLLQNIFQALNVYYNYSGQVKCLNISETATSSLGTLGWSYQACTEVVMPFCTNGVDDMFEPHSWNLKELSDDCFQQWGVRPRPSWITTMYGGKNISSHTNIVFSNGELDPWSGGGVTKDITDTLVAVTISEGAHHLDLRTKNALDPMSVLLARSLEVRHMKNWIRDFYDSAGKQH,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_8b3636c2da078c826d1a1418,test
catpreddb_km_km_4a90dcb44fe8a5,catpred_iteration1_km,km,Q08477,Q08477,MPQLSLSSLGLWPMAASPWLLLLLVGASWLLARILAWTYTFYDNCCRLRCFPQPPKRNWFLGHLGLIHSSEEGLLYTQSLACTFGDMCCWWVGPWHAIVRIFHPTYIKPVLFAPAAIVPKDKVFYSFLKPWLGDGLLLSAGEKWSRHRRMLTPAFHFNILKPYMKIFNESVNIMHAKWQLLASEGSARLDMFEHISLMTLDSLQKCVFSFDSHCQEKPSEYIAAILELSALVTKRHQQILLYIDFLYYLTPDGQRFRRACRLVHDFTDAVIQERRRTLPSQGVDDFLQAKAKSKTLDFIDVLLLSKDEDGKKLSDEDIRAEADTFMFEGHDTTASGLSWVLYHLAKHPEYQERCRQEVQELLKDREPKEIEWDDLAQLPFLTMCIKESLRLHPPVPAVSRCCTQDIVLPDGRVIPKGIICLISVFGTHHNPAVWPDPEVYDPFRFDPKNIKERSPLAFIPFSAGPRNCIGQAFAMAEMKVVLGLTLLRFRVLPDHTEPRRKPELVLRAEGGLWLRVEPLS,CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O,CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O,CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.5120927765408405,,s_9076f319d13a351f264a0aac,test
catpreddb_km_km_4ad8f6389f0035,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.6363880201078557,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_4b088f467aeaf1,catpred_iteration1_km,km,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,O=CO,O=CO,O=CO>>,public_strict_iteration1_fulltrue_msa,,-0.4962093169428189,,s_2925763e116557ae8a1c8b26,test
catpreddb_km_km_4b1d93c3e0e98e,catpred_iteration1_km,km,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,1.2787536009528289,,s_d41fba0c5b340501d312a097,test
catpreddb_km_km_4b22e7eff475bb,catpred_iteration1_km,km,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_20763196f05a193ee16b396c,test
catpreddb_km_km_4b377694113893,catpred_iteration1_km,km,P20456,P20456,MADPWQECMDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEKMLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGFPFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQEDITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCLVAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIASSNKTLAERIAKEIQIIPLQRDDED,O=P(O)(O)OCC(O)CO,O=P(O)(O)OCC(O)CO,O=P(O)(O)OCC(O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.0604807473813814,,s_835376cafd645d9f967b285e,test
catpreddb_km_km_4b431e502b283a,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,CSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.9393245299023192,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_4b4434c57232f7,catpred_iteration1_km,km,P32055,P32055,MSKQRVFIAGHRGMVGSAIRRQLEQRGDVELVLRTRDELNLLDSRAVHDFFASERIDQVYLAAAKVGGIVANNTYPADFIYQNMMIESNIIHAAHQNDVNKLLFLGSSCIYPKLAKQPMAESELLQGTLEPTNEPYAIAKIAGIKLCESYNRQYGRDYRSVMPTNLYGPHDNFHPSNSHVIPALLRRFHEATAQNAPDVVVWGSGTPMREFLHVDDMAAASIHVMELAHEVWLENTQPMLSHINVGTGVDCTIRELAQTIAKVVGYKGRVVFDASKPDGTPRKLLDVTRLHQLGWYHEISLEAGLASTYQWFLENQDRFRG,CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(O)C(O)C1=O,CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(O)C(O)C1=O,CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(=O)[nH]c(N)nc43)C(O)C2O)C(O)C(O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_5759da3e7fd9d6e38286434c,test
catpreddb_km_km_4b553f30cbc16a,catpred_iteration1_km,km,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_km_km_4b743837d2d5d5,catpred_iteration1_km,km,Q8I6T2,Q8I6T2,MGKHIRILKNQYLQFMSKRCIQSKAAFNICGKINVENPIVELDGDEMTRIIWKDIKEKLILPYVNLKIKYFDLSIENRDKTNDQVTIEAAEEIKKTSVGIKCATITPDAARVKEFNLKEMWKSPNGTIRNILDGTVFRTPILIKNIPKLVPNWKKPIVIGRHAYADQYKQKSLKIEKSGKFEIVFTPDDNSQVLRETVFHFKSPGVCLGMYNTEESIRNFALSCFQYALDLKMPVYMSTKSTILKIYDGLFKDIFDEIYEKQFKKSFEQHNLWYEHKLIDDMVAQVLKSEGGFLWACKNYDGDIQSDAVAQGYGSLGLMSSVLLCPDGVTCVSEAAHGTVTRHYRAYQKGEKTSTNPIASIFAWTKGLEHRAKLDKNDNLKQFCYALEKACIETVEDGLMSKDLAGCIKGIKNVTEKDYIFTQDLINAINEKLKLKILQNQSKNDPQATSYKLKNDNWNFYAPQEHST,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_b3ad33c11b0f353dcc833904,test
catpreddb_km_km_4b75c23ba73afd,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.7242758696007892,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_4b8b4ab73a27c6,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1,CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-3.958607314841776,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_4b9d2be2d5fd8a,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.0315170514460648,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_4ba422edc6cd63,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)C(SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1)C(C)C)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)C(SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1)C(C)C)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CC(C)C)N=C(O)C(SC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1)C(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_4ba8dc5cebdf54,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl,CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl,CC1(C)[C@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl>>,public_strict_iteration1_fulltrue_msa,,-4.187086643357144,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_4bce0fcab125a0,catpred_iteration1_km,km,B4XY98,B4XY98,MAAGSGSGTPPGTPPPTLLTDLATGLWKTQTLTAAIETGLFEALAAGDADAPETAQRLGIGKRPAEILLTACTALGLLEQRDGRYRNTAVAAHYLVPGLPDYFGGYVQMVARYTAPGWLRATEAVRTDAPTKPVPDPDRNMFEEGNRPESFWEGLFTFSTLTARQLAASVDLSGVRRIMDVGGGAGATLIELCRQHPHLSGTVVDLPHVCALAGERIAAAGMTGRIDTAAADFFADPLPSGHDAVLLSMILHDWDESQNRKILASCLDALPSGGTVLISELLVDDDKSGPVDAALMSMNMLVGTWGRNYTGAEYTDWLRDAGCSEVRTVRFASPGANGVVAGVKA,Cc1cccc2c(C(=O)O)cc(O)cc12,Cc1cccc2c(C(=O)O)cc(O)cc12,Cc1cccc2c(C(=O)O)cc(O)cc12>>,public_strict_iteration1_fulltrue_msa,,-0.8386319977650252,,s_a3d4e4197a9eaac639f182b1,test
catpreddb_km_km_4bec6ffc303862,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_4bf73b81703ed9,catpred_iteration1_km,km,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NC(CSSCC(N)C(=O)O)C(=O)O,NC(CSSCC(N)C(=O)O)C(=O)O,NC(CSSCC(N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1712113404111031,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_km_km_4bfcfb699140de,catpred_iteration1_km,km,P48450,P48450,MTEGTCLRRRGGPYKTEPATDLTRWRLHNELGRQRWTYYQAEEDPGREQTGLEAHSLGLDTTSYFKNLPKAQTAHEGALNGVTFYAKLQAEDGHWAGDYGGPLFLLPGLLITCHIAHIPLPAGYREEMVRYLRSVQLPDGGWGLHIEDKSTVFGTALSYVSLRILGIGPDDPDLVRARNILHKKGGAVAIPSWGKFWLAVLNVYSWEGINTLFPEMWLLPEWFPAHPSTLWCHCRQVYLPMSYCYATRLSASEDPLVQSLRQELYVEDYASIDWPAQKNNVCPDDMYTPHSWLLHVVYGLLNLYERFHSTSLRKWAIQLLYEHVAADDRFTKCISIGPISKTVNMLIRWSVDGPSSPAFQEHVSRIKDYLWLGLDGMKMQGTNGSQTWDTSFAVQALLEAGAHRRPEFLPCLQKAHEFLRLSQVPDNNPDYQKYYRHMHKGGFPFSTLDCGWIVADCTAEALKAVLLLQERCPSITEHVPRERLYDAVAVLLSMRNSDGGFATYETKRGGYLLELLNPSEVFGDIMIDYTYVECTSAVMQALRHFREYFPDHRATESRETLNQGLDFCRKKQRADGSWEGSWGVCFTYGTWFGLEAFACMGHIYQNRTACAEVAQACHFLLSRQMADGGWGEDFESCEQRRYVQSAGSQVHSTCWALLGLMAVRHPDISAQERGIRCLLGKQLPNGDWPQENISGVFNKSCAISYTNYRNIFPIWALGRFSSLYPDNTLAGHI,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.5417730257250375,,s_17fdbc6ad0a638c72e5eaddc,test
catpreddb_km_km_4c0c9342fff246,catpred_iteration1_km,km,Q924C3,Q924C3,MERDGEQAGQGPRHGPAGNGRELESPAAASLLAPMDLGEEPLEKAERARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKAHNDCCINYSSVCQEKKSWVEEACETIDAPQCPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVRSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSYERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDHIVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTEVPETYYSFNYEALAKNLSCRETNQHFRPYLKHFLPKRLHFAKNDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNESHGSLNHLLKKPIYTPSHPKEESFLSQCPIKSVSSDLGCTCDPSIVPIMDFEKQFNLTTDAVEDVYSMTVPNGRPRNLQKQHRVCLLHQQQFLTGYSLDLLMPLWTSYTFLSNDQFSTDDFSNCLYQDLRIPLSPMHKCSYYKSTSKLSYGFLTPPRLNRVSRQIYSEALLTSNIVPMYQSFQVIWQYLHDTVLRRYAQERNGVNVVSGPVFDFDYDGRYDSSEILKQNTRVIRSQENLIPTHFFIVLTSCKQLSESPLKCTALESSAFLLPHRPDNIESCTHGKQESAWVEELLALHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_62d5a3f405a9bb37c7be487b,test
catpreddb_km_km_4c0e5543fe6062,catpred_iteration1_km,km,P05708,P05708,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA,O=C[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO,O=C[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO,O=C[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-1.1396619934290064,,s_941b077a82856b376a21076e,test
catpreddb_km_km_4c0ffc45ded5a4,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21>>,public_strict_iteration1_fulltrue_msa,,-3.1870866433571443,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_4c12414e17fdf5,catpred_iteration1_km,km,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,1.1613680022349748,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_4c31e7cb0cdf14,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.7614393726401688,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_4c34e7ba486eeb,catpred_iteration1_km,km,A0A7W9ZGR3,A0A7W9ZGR3,MKRLAVVVFNLGGPDSPQAVQPFLFNLFSDPAIISLPQPLRWLVAKMISGRRAPVAQEIYHHLGGKSPLLEQTQQQADALAAALTEGETEARVFIAMRYWHPMTDRAVAEVKAYAPDAVVLLPLYPQFSTTTSGSSLKLWQQEAARQGLTVPTQAVCCYPAETGFISAMVETLVPLLRQAMETGTPRLLFSAHGLPKKVVDGGDPYQAQVEQTAAAVIRVLEQRDPQWHGLDWQVCYQSRVGPLEWIGPSTDAEIERAGRDGVPLVLMPLAFVSEHSETLVELDIEYGKLAADSGVPLYLRAATVQSHPDFIGGLAGLVRQTLDWPQGATPRPDGGLRRCADRWGKCPCQP,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-2.0222763947111524,,s_d0cf31aed5376499f9f9b470,test
catpreddb_km_km_4c47938e95b3fd,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,C[N+](C)(C)CC=O,C[N+](C)(C)CC=O,C[N+](C)(C)CC=O>>,public_strict_iteration1_fulltrue_msa,,0.6699574611143634,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_4c4c5871b36237,catpred_iteration1_km,km,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6209850278875861,,s_758b68a2c36468550d799726,test
catpreddb_km_km_4c579d340c01b8,catpred_iteration1_km,km,Q8VX47,Q8VX47,MEEAAAGPLHTRVCIIGSGPAAHTAAVYAARAELKPVLFEGWLANDIAAGGQLTTTTDVENFPGFPDGILGIDLMDRCRAQSVRFGTKIFSETVTSVDFSSRPFRVSSDDTVVHADSVVVATGAVARRLHFAGSDAFWNRGITACAVCDGAAPIFRNKPIAVVGGGDSAMEEANFLTKYGSRVYIIHRRDAFRASKIMQARALSNPKIQVVWDSEVVEAYGGSDGGPLGGVKVKNLVTGEVSDFRVAGLFFAIGHEPATKFLAGQLELDSEGYVATKPGSTHTSVKGVFAAGDVQDKKYRQAITAAGSGCMAALDAEHYLQEVGAQEGKTD,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_4d446d89e25c743c05db53c5,test
catpreddb_km_km_4c5a48e70a03e7,catpred_iteration1_km,km,Q3S559,Q3S559,MSRTQHAITVLGAGKIGFAIALLLQRTGDYAVCVADQDPSRLDAVAALGCQTAQIDNDAALEAAIAGRHAVLNALPFHRAVAVAGLCARLGVHYFDLTEDVASTHAIHALGRDARAVLMPQCGLAPGFIGIVGNDLARRFDTLLDLRMRVGGLPRYPTNALRYNLYLEHRGADQRVLQSMRGAVDGELVKVPPMEGYETFTLDGVEYEAFNTSGGLGTLPQTLLGKARNVDYKSVRYPGHCAIMKLLLNDLRLRERRELLQDILESAIPATGQDVIVILATASGYRGGRLLQEAYSAHIHGDTVDGHALSAIQLSTAAGICTALDLVVEGALPQRGFVGQESIPLDALLANRHGRIYAGQRLDALLAA,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.1205739312058498,,s_53eefbb9d536a41e42f82fd0,test
catpreddb_km_km_4c6698d857eff4,catpred_iteration1_km,km,B8M9J8,B8M9J8,MPGSLIDTRQQPLSVGIVGGGIIGVILAAGLVRRGIDVKVFEQARGFREIGAGMAFTANAVRCMEMLDPAIVWALRSSGAVPISIGDHQAEARDYLRWVDGYHESSKRLYQLDAGIRGFEACRRDQFLEALVKVLPEGIVECQKRLQKIHEKNETEKVTLEFADGTFAHVDCVIGADGIRSRVRQHLFGEDSPYSHPHYSHKFAFRGLITMENAISALGEDKARTLNMHVGPNAHLIHYPVANETMVNIAAFVSDPEEWPDKLSLVGPATREEAMGYFANWNPGLRAVLGFMPENIDRWAMFDTYDYPAPFFSRGKICLVGDAAHAAVPHHGAGACIGIEDALCATVLLAEVFVSTRGKSSIVRNRAIAAAFGSFNAVRRVRAQWFVDSSRRVCDLYQQPEWADPQKRIKAENCFEEIKDRSHKIWHFDYNSMLQEAIEKYRHNMGS,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.1850868187249262,,s_82823a9d8c4fe9d464bd58ee,test
catpreddb_km_km_4c7aca187aefb8,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_37892504ee980fd328015aac,test
catpreddb_km_km_4c882feb6edcda,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O,CCCCCC(=O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O,CCCCCC(=O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3045183235098026,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_4c8d07b5966604,catpred_iteration1_km,km,Q5UVJ4,Q5UVJ4,MEVICKHYTPLDIASQAIRTCWQSFEYSDDGGCKDKELIHRVGNIFRHSSTLEHLYYNFEIKGLSRGALQELSRHRIASLSVKSSRYTLRELKEVESFLPLNETNLERAREFLVFVDNEKVNAMSVLALENLRVLLSEHNIKNDLAKYAMPESYKTHLAYSINARSLQNLLTLRSSNKALKEMQDLAKALFDALPGEHQYLFEDCLKH,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-1.815308569182401,,s_be183d54763f7cbbb0450d28,test
catpreddb_km_km_4ca5ff72d8b3a7,catpred_iteration1_km,km,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,N=C(N)NCCC[C@@H](N)C(=O)O,N=C(N)NCCC[C@@H](N)C(=O)O,N=C(N)NCCC[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.2833012287035497,,s_d9fe73494ede26238d4e9e26,test
catpreddb_km_km_4cdfba99dc60ce,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,CCCc1cc(O)nc(S)n1,CCCc1cc(O)nc(S)n1,CCCc1cc(O)nc(S)n1>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_4ce90a67feac35,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.1038037209559568,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_4cf97b9ec3a300,catpred_iteration1_km,km,Q52QT9,Q52QT9,LKMLVSYVDNLPTGDEHGLFYALDLGGTNFRVLRVQLGGKEKRAVQQYEEVPIPPHLMVGTSTELFDFIAAELERFVETEGDDFHLPEGRHRELGFTFSFPVHQTSISSGTLVKWTKGFCINGTVGEDVVAELSSAMERQGLDMKVTALVNDTVGTLAGGIYADNDVVAAVILGTGTNAAYVEHANTIPKWHG,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_47f0f329f03db35a2d6572df,test
catpreddb_km_km_4cfdf36a44e9c0,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23>>,public_strict_iteration1_fulltrue_msa,,-0.8297382846050426,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_4d07c6bb86dd84,catpred_iteration1_km,km,X5D911,X5D911,MRSLLFITLLLAFVASALAFDSDFLNEPVHDRVLIDKINNSPKVAWKATSYSQFEKMTLGEFRKRLGTVLIQKGTADMLPKKTIAPLVGAPAAFDSRTKWPNCVHPIRNQEQCGSCWAFSASEVLSDRFCIASTGKDNVVLSPQYMVSCDTSDYGCDGGYLNNAWNFLATTGIPTDSCVPYTSQNGDVAACPSTCQNGGSIKLYRAKNPQQLNDIPSIMADMEANGPVQAAFSVYRDFMSYKSGVYHHVSGSLLGGHAIKIVGWGVDSVSNKPYWIVANSWGPSWGLNGFFWILRGSDECGIEDNVWGAGVLL,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.5421181032660076,,s_3f9c08249d9bac9bb0a07ff1,test
catpreddb_km_km_4d13e5fd869746,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.7423214251308154,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_4d1f3a0f59a2d6,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.0387795216154605,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_4d27a5993e3600,catpred_iteration1_km,km,D6XUS4,D6XUS4,MKPYLKEDPWSIIEEGFDKDKHEISESVFSLGNGHMGQRANFEETYTGSTLQGSYMAGVYYPDKTRVGWWKNGYPEYFAKVLNATNWIGLDISVDGTELDLNRAEVNDFVRELNMKEGYLKRSFRATIADGKDIKVEATRFVSVAMKEIGAIEYKITPLTFDGELTLRSYLDGDIMNKDANYDEKFWSKVSESAEGSRAHVTVKTKKLDFVYASLKETKVVHAGEEISPAECKTAEKYAEVTFTAPLKKNEATTIYKFAANVTNRDHEDQKLLDVAKEKLNQAIEKGFDTLKKEQADEWNKKWEDSDIVIEGDVAAQQGIRFNIFQMNQTYTGEDARLNIGPKGFTGEKYGGSTYWDTEAYCLPFYLATADQRIPKNLLVYRHNHLEKAKENAGKLGFTKGALYPMVTMNGEESHNEWEITFEEIHRNGAIAYAIYNYVNYTGDKSYIGELGIEVLVEISRFWEERVHYVPKKDVYMMHGVTGPNEYENNVNNNWYTNRIASWTLEYTLFALDYLKDSDPELYKKWITKLDLKDHETEKWLTIIDKMYYPEDKENGIFLQADNFEDKEIMPVSDLDEKHLPLNQNWSWDRILRSCFIKQADVLQGMYFLNHEFDIETKKRNFDYYEPMTVHESSLSPCVHSILACELGYKEKAYEMYLRTARLDLDNYNNDTEDGCHITSMAGTWMSVVEGFGGMKVKNDQLILNPFIPGQWSSFSFKVVFRGTRLLIKVTQDQVVVNNETDVKADLVIHGETYSLDGKGELSINH,OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.380211241711606,,s_c22cc2f9542b8c837fc60478,test
catpreddb_km_km_4d2ceedbc66c6e,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CCCc1ccc(C(=O)NCC(=O)O)cc1,CCCc1ccc(C(=O)NCC(=O)O)cc1,CCCc1ccc(C(=O)NCC(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_4d2e35d15a6421,catpred_iteration1_km,km,P39610,P39610,MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS,Cc1ncc(CO)c(C=O)c1O,Cc1ncc(CO)c(C=O)c1O,Cc1ncc(CO)c(C=O)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.33161408331,,s_24664a2ea5a6f8e1e0451e83,test
catpreddb_km_km_4d450e177e9b0f,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_4d49bdc50fcc07,catpred_iteration1_km,km,P0CH36,P0CH36,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,O=CC=Cc1ccccc1,O=CC=Cc1ccccc1,O=CC=Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_km_km_4d722d7c7e143e,catpred_iteration1_km,km,A0A076U8J8,A0A076U8J8,MAPPAVAEFPNDTKPVVAASVMKLANELTVLPEKFVKAVGERPVTAHNDYCKEIPVISLKGIDNESERARIVAEVGRACADWGIFQIVDHGMSAVLMKRTMETVLEFFKLPVEEKLKCAAKPGDFPVGYASGSHRASDDVLDWREFMAHRSLPKAIRENDISTWPDKPEHYRKTLVEYCDACDGLVTALLGLISESLGLPTNYIKNFVGGDDADQKMILNYYPQCPMPDLTLGLRSHTDYGTITVLQQDQVGGLQVYNADRRKWVTVEPIPGALVVNLADQLQILSNNKYCSVMHQAIVNSNHTRLSIATLSNPNAMSQMGPAPELLSAENPAKYRTYKFKEYLPICIAKKATNHCDAVAL,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21>>,public_strict_iteration1_fulltrue_msa,,-1.7011469235902934,,s_f971928a53d1775ad3eac7ac,test
catpreddb_km_km_4d77fe927ecc75,catpred_iteration1_km,km,A0P951,A0P951,MRNFLKVTLMSALIGCGAMGAASSLMLKEAKAVEIITHWVPHEVYGQIGEPDNNGKVFFSGLGAKYMGYPKHENPPPYPGKYSKFWRTLPAYRYYIPDFMYNRDEVRPSNPIKGTFQLEQCIACHSVMTPGIVRDYKKSAHSRAEPNPTGCDTCHGNNHQKLTMPSSKACGTSECHETQYSEQGQGGIGSHASCSSFAQIECAWSIERPPGDTAGCTFCHTSSEERCSTCHQRHQFDPKVARRAEQCKTCHWGKDHRDWEAYDIGLHGVVYQVNKWDPKQFDWDKKLADADYVGPTCQYCHMRGGHHNVQRFSTVYTSMGMSMADRGAPIWKEKRDRWASVCDDCHSPRFAKENLQALDESVKDAGLKYRETFKVAEDLLKDGVADPMPKDLAPDWSGQHIWSLKIGAYHDGPEYGGKTGESGEFRMSNCSDIERLCFESVGYFQTYIYKGMAHGSWNDATYSDGSFGMDRWLVNVKQNASQARRLAALEKKVGISWVPESFWKTGEWLDQLTGPYIVKNHPGKTIFDLCPDPGWLDTHHAPAEEVEYINRKLEELGMRHESHGSAHH,NN,NN,NN>>,public_strict_iteration1_fulltrue_msa,,-2.2596373105057563,,s_97a289896486dd8362e002fb,test
catpreddb_km_km_4d7af8def99501,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_4d7f7e7a285a0f,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6882589608616071,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_4d8d5d166cf7f4,catpred_iteration1_km,km,P32811,P32811,MEGGAKSNDVSAAPIAQPLSEDPTDIASNIKYHAQYTPHFSPFKFEPLQAYYAATADSVRDRLIKQWNDTYLHYDKVNPKQTYYLSMEYLQGRALTNAVGNLDIHNAYADALNKLGQQLEEVVEQEKDAALGNGGLGRLASCFLDSMATLNLPAWGYGLRYRYGLFKQLITKAGQEEVPEDWLEKFSPWEIVRHDVVFPIRFFGHVEVLPSGSRKWVGGEVLQALAYDVPIPGYRTKNTNSLRLWEAKASSEDFNLFLFNDGQYDAAAQLHSRAQQICAVLYPGDATENGKLLRLKQQFFLCSASLQDIIARFKEREDGKGSHQWSEFPKKVAIQLNDTHPTLTIPELMRLLMDDEGLGWDESWNITTRTIAYTNHTVLPEALEKWSQAVMWKLLPRHMEIIEEIDKRFVATIMSERPDLENKMPSMRILDHNATKPVVHMANLCVVSSHTVNGVAQLHSDILKAELFADYVSVWPTKFQNKTNGITPRRWIRFCSPELSHIITKWLKTDQWVTNLELLANLREFADNSELHAEWESAKMANKQRLAQYILHVTGVSIDPNSLFDIQVKRIHEYKRQLLNILGVIYRYKKLKGMSPEERKNTTPRTVMIGGKAFATYTNAKRIVKLVTDVGDVVNSDPDVNDYLKVVFVPNYNVSVAEMLIPGSELSQHISTAGMEASGTSNMKFALNGCLIIGTLDGANVEIREEIGEDNFFLFGATADEVPQLRKDRENGLFKPDPRFEEAKQFIRSGAFGTYDYNPLLESLEGNSGYGRGDYFLVGHDFPSYMDAQARVDEAYKDRKRWIKMSILSTSGSGKFSSDRTISQYAKEIWNIAECRVP,O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO,O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO,O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.5598791120522598,,s_2800d25335d28e804e4d45a0,test
catpreddb_km_km_4da8261b9ddb7e,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0506099933550872,,s_37892504ee980fd328015aac,test
catpreddb_km_km_4dc080787be261,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,CC=O,CC=O,CC=O>>,public_strict_iteration1_fulltrue_msa,,0.5910646070264992,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_4dc08cd747ca62,catpred_iteration1_km,km,Q9HAS3,Q9HAS3,MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNTKQDEEQVTVEQDSPRNREHMEDDDEEMQQKGCLERRYDTVCGFCRKHKTTLRHIIWGILLAGYLVMVISACVLNFHRALPLFVITVAAIFFVVWDHLMAKYEHRIDEMLSPGRRLLNSHWFWLKWVIWSSLVLAVIFWLAFDTAKLGQQQLVSFGGLIMYIVLLFLFSKYPTRVYWRPVLWGIGLQFLLGLLILRTDPGFIAFDWLGRQVQTFLEYTDAGASFVFGEKYKDHFFAFKVLPIVVFFSTVMSMLYYLGLMQWIIRKVGWIMLVTTGSSPIESVVASGNIFVGQTESPLLVRPYLPYITKSELHAIMTAGFSTIAGSVLGAYISFGVPSSHLLTASVMSAPASLAAAKLFWPETEKPKITLKNAMKMESGDSGNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWFGNMFDYPQLSFELICSYIFMPFSFMMGVEWQDSFMVARLIGYKTFFNEFVAYEHLSKWIHLRKEGGPKFVNGVQQYISIRSEIIATYALCGFANIGSLGIVIGGLTSMAPSRKRDIASGAVRALIAGTVACFMTACIAGILSSTPVDINCHHVLENAFNSTFPGNTTKVIACCQSLLSSTVAKGPGEVIPGGNHSLYSLKGCCTLLNPSTFNCNGISNTF,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.9788107009300624,,s_9f1cf3571f91ea70ba225e03,test
catpreddb_km_km_4df1b520b3bf00,catpred_iteration1_km,km,Q8NRR8,Q8NRR8,MTRYAAIDCGTNSIRLLITEVTPEGFKEITRENTIVRLGKGVDATGQLDPEAIERTRVALENYVELMETHGVEAVRMVATSATRDASNRDEFFSMTRQLLSKIRPGYQAEVISGEEEALLSFRGAIVDLPEDQGPFCVIDLGGGSTEFIVGTYDGEILGSHSTQMGCVRLTERIMRSDPPTETEVEIARDYVAERIQEVKAIVPISKAKTFVGCAGTFTTISAWVQGLESYDRDAIHLSALNFDALRVVTDEIISESSSQRASNPVVDPGRADVIGGGSVVVQAAIDLASKEAGVDYIIISEKDILDGLILGLVEADSLKK,O=P(O)(O)OP(=O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_3ba73f0cdf68937f8fbbfd8f,test
catpreddb_km_km_4df4e8def2e66a,catpred_iteration1_km,km,P35236,P35236,MVQAHGGRSRAQPLTLSLGAAMTQPPPEKTPAKKHVRLQERRGSNVALMLDVRSLGAVEPICSVNTPREVTLHFLRTAGHPLTRWALQRQPPSPKQLEEEFLKIPSNFVSPEDLDIPGHASKDRYKTILPNPQSRVCLGRAQSQEDGDYINANYIRGYDGKEKVYIATQGPMPNTVSDFWEMVWQEEVSLIVMLTQLREGKEKCVHYWPTEEETYGPFQIRIQDMKECPEYTVRQLTIQYQEERRSVKHILFSAWPDHQTPESAGPLLRLVAEVEESPETAAHPGPIVVHCSAGIGRTGCFIATRIGCQQLKARGEVDILGIVCQLRLDRGGMIQTAEQYQFLHHTLALYAGQLPEEPSP,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.7257435417654252,,s_1f243b309cb7f1450c11c920,test
catpreddb_km_km_4e0484821f8382,catpred_iteration1_km,km,P74383,P74383,MTPKLIIHGGASSLDDKGGLATVRQSLHQIVAAVYETLTAGGSAMDAVVQGCELLENEPRFNAGTGSVLQSDGQVRMSASLMDGDRQNFSGVINVSRIKNPIQMAQFLQGQTDRILSDYGAADLAREMQLPIYDPATDFRIQEWMEERGEDVRKKMARLIADPTVGIEARKGTIGVVALDANGKIAAGTSTGGKGLERIGRVSDSAMPAGNYATRFAGVSCTGVGEDIINECLAAKVVIRVKDGQNLAQAMAKSITEALENNTDLGAIALDHQGHIAWGKTCPVLLAAYHTGTAIGDTLELTDGDHYGNASILKLQKTVKKIQTKTRGK,N=C(N)NCCC[C@H](N=C(O)C[C@H](N)C(=O)O)C(=O)O,N=C(N)NCCC[C@H](N=C(O)C[C@H](N)C(=O)O)C(=O)O,N=C(N)NCCC[C@H](N=C(O)C[C@H](N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4948500216800939,,s_67bbd88f80b76ce39c05827b,test
catpreddb_km_km_4e04fcdda429dc,catpred_iteration1_km,km,P11178,P11178,MQGSAKMAMAVAVAVARVWRPSRGLGRTGLPLLRLLGARGLARFHPHRWQQQQHFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYKSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALDDTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDLGKGRQMPVHYGCRERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGILSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHHLQSRGWWDDEQEKAWRKQSRKKVMEAFEQAERKLKPNPSLIFSDVYQEMPAQLRKQQESLARHLQTYGEHYPLDHFEK,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_6ab38fd0f667596d6f2abce4,test
catpreddb_km_km_4e07f4d3f8c4d8,catpred_iteration1_km,km,Q8VCC1,Q8VCC1,MHVNGKVALVTGAAQGIGKAFAEALLLHGAKVALVDWNLEAGVKCKAALDEQFEPQKTLFVQCDVADQKQLRDTFRKVVDHFGRLDILVNNAGVNNEKNWEQTLQINLVSVISGTYLGLDYMSKQNGGEGGIIINMSSLAGLMPVAQQPVYCASKHGIIGFTRSAAMAANLMKSGVRLNVICPGFVDTPILESIEKEENMGQYIEYKDQIKAMMKFYGVLHPSTIANGLINLIEDDALNGAIMKITASKGIHFQDYDISPLLVKAPLTS,CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0809219076239263,,s_d7bd7bf9dae694733b0f418d,test
catpreddb_km_km_4e0c8a42e3eddb,catpred_iteration1_km,km,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_d45caf713d065ae4220c2800,test
catpreddb_km_km_4e1295927e33d4,catpred_iteration1_km,km,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,N[C@H](CCC(=O)O)C(=O)O,N[C@H](CCC(=O)O)C(=O)O,N[C@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.08278537031645,,s_d9fe73494ede26238d4e9e26,test
catpreddb_km_km_4e2a23e8885fc1,catpred_iteration1_km,km,B2DEU8,B2DEU8,MTEQTKAYFNTPVHERDPLVAQALDNERKRQQDQIELIASENIVSRAVLDALGHEMTNKTLEGYPGNRFHGGGQFVDVVEQAAIDRAKELFGCAYANVQPHSGTQANLAVFFLLLKPGDKVLSLDLAAGGHLSHGMKGNLSGRWFESHNYNVDPETEVIDYDEMERIAEEVRPTLLITGGSAYPRELDFERMGKIAKKVGAWFLVDMAHIAGLVAGGAHPSPFPHADIVTCTTTKTLRGPRGGLILTNNEAWFKKLQSAVFPGVQGSLHSNVLAAKAVCLGEALRPDFKVYAAQVKANARVLAETLIARGVRIVSGGTDTHIVLVDLSSKGLNGKQAEDLLARANITANKNPIPNDSPRPAEWVGMRLGVSAATTRGMKEDEFRTLGTVIADLIEAEAAGNADGVVEGAKAKVATLTAAFPVYAH,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_b0a8d0913a1570c369eeda17,test
catpreddb_km_km_4e32ba9dfa7e93,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.433230545814891,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_4e48b7523a98bd,catpred_iteration1_km,km,O04862,O04862,MSILKCLGVRGNQLCAARNYLKVLGFSSFHTAPNSSIEIQTQDEEVVIALGSNVGDRLHNFKEALKLMRKSGIHITRHASLYETAPAYVTDQPRFLNSAVRADTKLGPHELLAALKRIEKDMGRTDGIRYGPRPIDLDILFYGKFKVRSDILTVPHERIWERPFVMAPLMDLLGTAIDSDTVASWHSFSGHSGGLNALWEKLGGESLIGEEGMYRVMPVANGLLDWSRRTLVMGILNLTPDSFSDGGNFQSVKSAVSQARLMISEGADIIDIGAQSTRPMASRISAEEELGRLIPVLEAVMSIPEVEGKLISVDTFYSEVALEAVRKGAHIINDVSAGKLDASMFKVMAELDVPYVAMHMRGDPSTMQDSENLKYDNVCKDISSELYSRVREAEISGIPAWRIIMDPGIGFSKKTEDNLAALTGIPDIREEISKRSLAISHAPILIGPSRKRFLGEICSRPSAVDRDPATIASVTAGVLCGANIVRVHNVKDNLDAVKLCDAILKQKSSPIKFKQ,Nc1ccc(C(=O)O)cc1,Nc1ccc(C(=O)O)cc1,Nc1ccc(C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.8010299956639813,,s_21cb6f464fcfeed0526f89c7,test
catpreddb_km_km_4e594dab99aa62,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)c1cccc(Cl)c1,O=C(O)CN=C(O)c1cccc(Cl)c1,O=C(O)CN=C(O)c1cccc(Cl)c1>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_4e616a9443e062,catpred_iteration1_km,km,P70684,P70684,MHVNGKVALVTGAAQGIGRAFAEGLLHKGAKVALVDWNLEAGVKCKAALDEEFEPQKTLFIQCDVADQEQLRDTFTKVVDYFGRLDILVNNAGVNNEKNWEKTLQINLVSVISGTYLGLDYMSKQHGGEGGVIINMSSLAGLMPVAQQPVYCASKHGIIGFTRSAAMARKLMNSGVRMNAICPGFVNTSILQSIEKEENMGPYIEYTGHIKDMMKCYGILDPEMIANGLITLIEDDDLNGAIMKITTSNGIHFQDYDTAPSYAKD,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_453149576098087a9cffba05,test
catpreddb_km_km_4e638a3ce03e4d,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N[C@H](CC(=O)O)C(=O)O,N[C@H](CC(=O)O)C(=O)O,N[C@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5299532818745585,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_4e647c54538536,catpred_iteration1_km,km,Q2KIN2,Q2KIN2,MTAGRLYLRLLRAPSKFMVQRLLEGVPPSRGLHAGRGPRRLSVEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNVLAAGSQKAGAATSLGNLLDMMYQEPARWSYTFQTFSFLSRLKVQLEPFPEKLLAVGRAVQIFERSVYSDRYIFAKTLFENGSLSDIEWHIYQDWHYFLLQEFASRLRLHGFIYLQAAPQVCLKRLQRRARQEEKEVELAYLEQLHGQHEAWLVHKTTPLHSEALLNIPVLVLDVNDDFSEEVTIQEELMRRVNTFVKNL,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.1191864077192086,,s_7bedb8ca227493a3a288bf3a,test
catpreddb_km_km_4e7df3d7d9a0b7,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.7274193755308478,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_4e908b3cefa55b,catpred_iteration1_km,km,G8XUN7,G8XUN7,MNTRIPPGPGAVPMPSRRLFVQGLAAGGVVAGIAAVGVPQRALAAATAAPRLAGAPAVLSDTRIELAIGESLANFTGRTRPAITVNGSLPAPILRWREGQTVDLFVRNTLERHPTSIHWHGILLPANMDGVPGLSFNGIGPGETYHYHFELKQSGTYWYHSHSMFQEQAGLYGALIIDPAEPAPYHHDREHVILLSDWTDMDPGALFRRMKKLAEHDNYYKRTLPDFLRDVKRDGWSAALSDRGMWGRMRMTPTDISDINAHTYTYLMNGTAPAGNWTGLFRSGEKVLLRFINGASMTYFDVRIPGLKMTVVAADGQYIHPVSIDEFRIAPAETYDVLVEPTGQDAFTIFCQDMGRTGFAAGTLAVRHGLQAPIPAPDPRPLLTMSDMGHDMGSGGHGGHDMAAMKGMEGGCGASMGHDGDTASRAPKHPASERNNPLVDMQSSATEPKLDDPGIGLRDNGRQVLTYGAMRSLFEDPDGREPSREIELHLTGHMEKFSWSFDGIPFASAEPLRLNYGERMRIVLVNDTMMQHPIHLHGVWSDLENAQGEFQLRKHTIDMPPGTRRSYRVRADALGRWAYHCHLLYHMEAGMMREVRIEE,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_d5955ff5ac396c6fbc4cd205,test
catpreddb_km_km_4e9780d7bf1e51,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.309803919971486,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_4ec13f37ae25ac,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.638272163982407,,s_955f208818110e17c458234b,test
catpreddb_km_km_4edd056b6db698,catpred_iteration1_km,km,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_758b68a2c36468550d799726,test
catpreddb_km_km_4f01dd60e92536,catpred_iteration1_km,km,O09173,O09173,MAELKYISGFGNECASEDPRCPGSLPKGQNNPQVCPYNLYAEQLSGSAFTCPRNTNKRSWLYRILPSVSHKPFESIDQGHVTHNWDEVGPDPNQLRWKPFEIPKASEKKVDFVSGLYTLCGAGDIKSNNGLAVHIFLCNSSMENRCFYNSDGDFLIVPQKGKLLIYTEFGKMSLQPNEICVIQRGMRFSVDVFEETRGYILEVYGVHFELPDLGPIGANGLANPRDFLIPVAWYEDRRVPGGYTVINKFQGKLFACKQDVSPFNVVAWHGNYTPYKYNLENFMVINAVAFDHADPSIFTVLTAKSLRPGVAIADFVIFPPRWGVADKTFRPPYYHRNCMSEFMGLIKGHYEAKQGGFLPGGGSLHSAMTPHGPDADCFEKASKAKLEPERIADGTMAFMFESSLSLAVTKWGLKTCSCLDENYYKCWEPLRSHFTPNSRSPTEPK,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-1.7212463990471711,,s_d690bc6535a91711dcfe8507,test
catpreddb_km_km_4f07e6362e072f,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.0457574905606752,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_4f30a449984473,catpred_iteration1_km,km,Q09KQ6,Q09KQ6,MPDAVVFSPGGYRYIPAVFQYSAGIAAEPGFEIERVRFHRPVPLAEAFVAVESHLRAIGRPTTSFAQCELRSPDPFNDQGFIDFNTEYVKTLERWGIYKDRVNPVARTNVCPMYDKPTTPSMFAFSYTVPTTSAAKRPSFQLAGGGDARGGSAPYKDRIVAFGDTSPEGLREKVVFVIEEMESRLKTLGLGWADAVSTQLYTVQNIGHLVGPELARRGCGAGGLVWNYTRPPVIGLEYEMDVRGAVRETVL,N/C(=C/C=C\C(=O)O)C(=O)O,N/C(=C/C=C\C(=O)O)C(=O)O,N/C(=C/C=C\C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_9d1d6087558b687c32deb7f7,test
catpreddb_km_km_4f3cbcb9628933,catpred_iteration1_km,km,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,1.0954134644484463,,s_0ad9625fa36195c17c775d5c,test
catpreddb_km_km_4f44c8d0d038b0,catpred_iteration1_km,km,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6235444937978645,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_4f47032362a860,catpred_iteration1_km,km,Q8YSZ5,Q8YSZ5,MSDQANQGDLEIRPSPLLKVINDLHSKYKSLKEGIVANYIPELAKVNPDLFSISIVTVDGQVYQVGDYQQLFTIQSISKVFAYGLALEDHGRDYVLTRVGVEPTGEAFNAIILDEQSKRPYNPMVNAGAIATTSLIKGAGATERLNRVLEMFRRYIGHDVFVDISVFTSERSTGHRNRAMAHLMLNFGMIDRNIEEALDLYFQQCAVMVNCHDLAVMAATLANRGVNPITGEQAVNSRYIKDILSVMYTCGMYNFAGEWAYKVGIPAKSGVCGGIMAVVPNLMGIAVFSPPLDIRGNSVRGVKVCEELSQQLGLHLFECMKVGNGEWGVGNCEC,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.290034611362518,,s_7bc64fdf7ced133589161722,test
catpreddb_km_km_4f483ee73db2ee,catpred_iteration1_km,km,A0A0F6WQB2,A0A0F6WQB2,MAIELNVGRKVTVTVPGSSANLGPGFDTLGLALSVYDTVEVEIIPSGLEVEVFGEGQGEVPLDGSHLVVKAIRAGLKAADAEVPGLRVVCHNNIPQSRGLGSSAAAAVAGVAAANGLADFPLTQEQIVQLSSAFEGHPDNAAASVLGGAVVSWTNLSIDGKSQPQYAAVPLEVQDNIRATALVPNFHASTEAVRRVLPTEVTHIDARFNVSRVAVMIVALQQRPDLLWEGTRDRLHQPYRAEVLPVTSEWVNRLRNRGYAAYLSGAGPTAMVLSTEPIPDKVLEDARESGIKVLELEVAGPVKVEVNQP,N[C@@H](CCO)C(=O)O,N[C@@H](CCO)C(=O)O,N[C@@H](CCO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1135092748275181,,s_caa0a32ed7a57ef1e0e40f92,test
catpreddb_km_km_4f64a144f22106,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,O=Cc1cccnc1,O=Cc1cccnc1,O=Cc1cccnc1>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_4f662ae8e2a023,catpred_iteration1_km,km,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.9728492316078852,,s_3922a407c453485de3311bb6,test
catpreddb_km_km_4f7e471658a9e5,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,CCC[C@](O)(C(=O)O)[C@H](C)C(=O)O,CCC[C@](O)(C(=O)O)[C@H](C)C(=O)O,CCC[C@](O)(C(=O)O)[C@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0087739243075051,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_4f9eb32d3b5920,catpred_iteration1_km,km,F7IX06,F7IX06,MSVTTPRRETSLLSRALRATAAAATAVVATVALAAPAQAANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVEEYRSTCPF,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.5078558716958309,,s_e806085a30d0427b3ece1df8,test
catpreddb_km_km_4fcb15a350d21b,catpred_iteration1_km,km,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O,O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O,O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_c914da2418e4f7c204592eba,test
catpreddb_km_km_4fcb5e2230cf62,catpred_iteration1_km,km,K7WYY0,K7WYY0,MTSNSCNYHLTEKTAKLLATDLLPYKESAGPQTKEFLQKVIDVLMDFVRATNDRNEKVLDFHHPEEMFRILDLDIPEKGLPLQQLIKDCETTLKYQVKTGHPRFFNQLSCGLDLVSMAGEWLTATANTNMFTYEIAPVFILMERVVLTHMRELIGWNGGDSILAPGGSISNLYAFLAARHKMFPGYKEKGSSVIPGELVMFTSDQSHYSVKSCASVGGLGTDNCVMVPSDLNGKMVPRELERLIIERKSKGQIPFFVTATAGTTVLGAFDPINEIADICEKYNCWLHVDAAWGGGLLLSKKYRHPRLSGIERAKSVTWNPHKLMGALLQCSTIHFKEDGLLISCNQMSAEYLFMTDKLYDVQYDTGDKVIQCGRHNDVFKLWLQWRAKGSEGFEKHMDRLMELTEYMVKRLRTMPDKYYLIMEPECVNVSFWYIPRRLRGIIHDAKREAELGKICPILKARMMQSGTLMVGYQPDDRRPNFFRSIISSAAVTEGDVDFMLAEFDRLGQDL,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9444826721501688,,s_786135fe23f624f762f6626a,test
catpreddb_km_km_4fde0f30bb12b2,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.1674910872937636,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_4fee81babe3ba3,catpred_iteration1_km,km,P17858,P17858,MAAVDLEKLRASGAGKAIGVLTSGGDAQGMNAAVRAVTRMGIYVGAKVFLIYEGYEGLVEGGENIKQANWLSVSNIIQLGGTIIGSARCKAFTTREGRRAAAYNLVQHGITNLCVIGGDGSLTGANIFRSEWGSLLEELVAEGKISETTARTYSHLNIAGLVGSIDNDFCGTDMTIGTDSALHRIMEVIDAITTTAQSHQRTFVLEVMGRHCGYLALVSALASGADWLFIPEAPPEDGWENFMCERLGETRSRGSRLNIIIIAEGAIDRNGKPISSSYVKDLVVQRLGFDTRVTVLGHVQRGGTPSAFDRILSSKMGMEAVMALLEATPDTPACVVTLSGNQSVRLPLMECVQMTKEVQKAMDDKRFDEATQLRGGSFENNWNIYKLLAHQKPPKEKSNFSLAILNVGAPAAGMNAAVRSAVRTGISHGHTVYVVHDGFEGLAKGQVQEVGWHDVAGWLGRGGSMLGTKRTLPKGQLESIVENIRIYGIHALLVVGGFEAYEGVLQLVEARGRYEELCIVMCVIPATISNNVPGTDFSLGSDTAVNAAMESCDRIKQSASGTKRRVFIVETMGGYCGYLATVTGIAVGADAAYVFEDPFNIHDLKVNVEHMTEKMKTDIQRGLVLRNEKCHDYYTTEFLYNLYSSEGKGVFDCRTNVLGHLQQGGAPTPFDRNYGTKLGVKAMLWLSEKLREVYRKGRVFANAPDSACVIGLKKKAVAFSPVTELKKDTDFEHRMPREQWWLSLRLMLKMLAQYRISMAAYVSGELEHVTRRTLSMDKGF,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4380741795164571,,s_48c2be0a43633acbf432ae16,test
catpreddb_km_km_4fef205b1124ec,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12,Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12,Cc1cc(=O)oc2cc(OP(=O)(O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.5466816599529624,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_501415d3217eea,catpred_iteration1_km,km,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_9c1c54ef2ef457891b120064,test
catpreddb_km_km_50330449b82a57,catpred_iteration1_km,km,P80456,P80456,MEPAPELLFYVNGRKVVEKQVDPETMLLPYLRKKLRLTGTKYGCGGGGCGACTVMISRYNRVTKKIRHYPVNACLTPICSLYGAAVTTVEGIGSTTTRLHPVQERIAKFHGTQCGFCTPGMVMSMYALLRNHPEPTLDQLADALGGNLCRCTGYRPIIEAYKTFCKTSDCCQNKENGFCCLDQGINGLPEVEEENQTRPNLFSEEEYLPLDPTQELIFPPELMTMAEKQPQRTRVFSGERMMWISPVTLKALLEAKSTYPQAPVVMGNTSVGPGVKFKGIFHPVIISPDSIEELNVVSHTHSGLTLGAGLSLAQVKDILADVVQKVPEENAQTYRALLKHLGTLAGSQIRNMASLGGHIISRHLDSDLNPLLAVGNCTLNVLSKEGERQIPLDEQFLSRCPEADLKPQEILASVHIPYSRKWEFVLAFRQAQRKQNALAIVNSGMRVFFGEGDGIIRELAISYGGVGPTIICAKNSCQKLIGRSWNEEMLDTACRLILDEGEDMLITGGRHPYLGKYKAGFMNDGRIVALDVEHYSNGGCSLDESLLVIEMGLLKMENAYKFPNLRCRGWACRTNLPSNTAFRGFGFPQAGLITECCITEVAAKCGLSPEKVRAINFYKEIDQTPYKQEINAKNLTQCWNECLAKSSYFQRKVAVEKFNAENYWKQRGLAIIPFKYPRGLGSVAYGQAAALVHVYLDGSVLVTHGGIEMGQGVHTKMIQVVSRELKMPMSNVHLRGTSTETVPNTNASGGSVVADLNGLAVKDACQTLLKRLEPIINKNPQGTWKEWAQAAFDKSISLSATGYFRGYDSNIDWDKGEGHPFEYFVYGAACSEVEIDCLTGDHKTIRTDIVMDVGYSINPALDIGQVEGAFIQGMGLYTIEELHYSPQGILYSRGPNQYKIPAICDIPAELNVTFLPPSEKSNTLYSSKGLGESGVFMGCSVFFAIREAVCAARQARGLSAPWKLSSPLTPEKIRMACEDKFTKMIPRDKPGSYVPWNVPV,c1ccc2c(c1)cnc1ccccc12,c1ccc2c(c1)cnc1ccccc12,c1ccc2c(c1)cnc1ccccc12>>,public_strict_iteration1_fulltrue_msa,,-2.1292963966661973,,s_04b9f3c94ca3b5e5a9ff9ad1,test
catpreddb_km_km_503da5c22cb2e7,catpred_iteration1_km,km,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,-2.15051499783199,,s_3922a407c453485de3311bb6,test
catpreddb_km_km_508403b404eb18,catpred_iteration1_km,km,A0A0D4C3L0,A0A0D4C3L0,MGYEKSGYRESDGIYDSSFPSIPTPRDIDVTTYCIFQQQYGDRVALIDAVTGAKLTYSELRSAIDSVAAGLAQSGVKQGDVVMICMPNSIHWPILLFGSLRIGAVVTTANPVGNVQEIGRQAKDSRTAYLITVPELCGKLASLNIPLVLNDMDSLGNKKQFHGAAFARFSELLKADRKKVPQVRIKEKDTATLLYSSGTTGASKGVILTHLNLVESINQRMVADPRSFQVAEEVQIYGVIIPLFHVMGMMAICMPTLRKGDQMVVFPKFDLAEMLGAVQRFRITGLALVPPILVLLSKSPLVEKYDLSSLQLIGFGAAPAGDLSGVSKRFRGVYLRQGYGMTETASSGTGVPLEDVDYANKHNSCGLLVPNMQAKVVDVLTGKPLPPGKEGELWLRGLNVMKGYLNNEKATAETLDKDGWLHTGDLAKIDERGFVYIVDRLKELIKYKGFQVAPAELESILLSHSDIMDAAVVPFPDEEAGEIPVAFVVRRPGTTLTGNSIMEFVASKVSPYKKIRRVIFVDTIPKLESGKILRKELKSKLLPSSKL,O=C(O)CCc1ccc(O)cc1,O=C(O)CCc1ccc(O)cc1,O=C(O)CCc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3547742884645838,,s_a0b0bb48fa1855371fae3dab,test
catpreddb_km_km_50985266df04c4,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1>>,public_strict_iteration1_fulltrue_msa,,-0.7569619513137056,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_509a013d8d8616,catpred_iteration1_km,km,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_50bafc4750bd77,catpred_iteration1_km,km,Q9FGR9,Q9FGR9,MKRFIVLALCMLMVLETTKGLDFHNKDVESENSLWELYERWRSHHTVARSLEEKAKRFNVFKHNVKHIHETNKKDKSYKLKLNKFGDMTSEEFRRTYAGSNIKHHRMFQGEKKATKSFMYANVNTLPTSVDWRKNGAVTPVKNQGQCGSCWAFSTVVAVEGINQIRTKKLTSLSEQELVDCDTNQNQGCNGGLMDLAFEFIKEKGGLTSELVYPYKASDETCDTNKENAPVVSIDGHEDVPKNSEDDLMKAVANQPVSVAIDAGGSDFQFYSEGVFTGRCGTELNHGVAVVGYGTTIDGTKYWIVKNSWGEEWGEKGYIRMQRGIRHKEGLCGIAMEASYPLKNSNTNPSRLSLDSLKDEL,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.8563607647254567,,s_c6ce96d170296fb865437f79,test
catpreddb_km_km_50c51fb9f2e1c1,catpred_iteration1_km,km,Q8TZP8,Q8TZP8,MYKLVSFRDSEIFGRVAEVEFSLIREGSYAYLLGDFNAFNEGSFRMEQEGKNWKIKIALPEGVWHYAFSIDGKFVLDPDNPERRVYTRKGYKFHREVNVARIVKSDDLVFHTPSLLYLYEIFGRVHVLLRTQKGVIKGATFLGEKHVPMRKKASDELFDYFEVIVEGGDKRLNYSFEVLTMEGAKFEYGQFKARPFSIEFPTWVIDRVFYQIMPDKFARSRKIQGIAYPKDKYWGGDLIGIKEKIDHLVNLGINAIYLTPIFSSLTYHGYDIVDYFHVARRLGGDRAFVDLLSELKRFDIKVILDGVFHHTSFFHPYFQDVVRKGENSSFKNFYRIIKFPVVSKEFLQILHSKSSWEEKYKKIKSLGWNYESFFSVWIMPRLNHDNPKVREFIKNVILFWTNKGVDGFRMDVAHGVPPEVWKEVREALPKEKYLIGEVMDDARLWLFDKFHGVMNYRLYDAILRFFGYEEITAEEFLNELELLSSYYGPAEYLMYNFLDNHDVERFLDIVGDKRKYVCALVFLMTYKGIPSLFYGDEIGLRGINLQGMESSRAPMLWNEEEWDQRILEITKTLVKIRKNNKALLFGNFVPVKFKRKFMVYKREHMGERTIVAINYSNSRVKELGITIPEYSGVIINEDKVKLIKY,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9576072870600952,,s_6d000328ec0ae6533b01c053,test
catpreddb_km_km_50ed3d0778c4db,catpred_iteration1_km,km,Q924C3,Q924C3,MERDGEQAGQGPRHGPAGNGRELESPAAASLLAPMDLGEEPLEKAERARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKAHNDCCINYSSVCQEKKSWVEEACETIDAPQCPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVRSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSYERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDHIVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTEVPETYYSFNYEALAKNLSCRETNQHFRPYLKHFLPKRLHFAKNDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNESHGSLNHLLKKPIYTPSHPKEESFLSQCPIKSVSSDLGCTCDPSIVPIMDFEKQFNLTTDAVEDVYSMTVPNGRPRNLQKQHRVCLLHQQQFLTGYSLDLLMPLWTSYTFLSNDQFSTDDFSNCLYQDLRIPLSPMHKCSYYKSTSKLSYGFLTPPRLNRVSRQIYSEALLTSNIVPMYQSFQVIWQYLHDTVLRRYAQERNGVNVVSGPVFDFDYDGRYDSSEILKQNTRVIRSQENLIPTHFFIVLTSCKQLSESPLKCTALESSAFLLPHRPDNIESCTHGKQESAWVEELLALHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_62d5a3f405a9bb37c7be487b,test
catpreddb_km_km_5106b72fda1cc5,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,OC1COC(OC2COC(O)C(O)C2O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_51079ba603429e,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,OCC1(O)OC[C@@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.7193312869837265,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_5110b12c41fcc0,catpred_iteration1_km,km,Q9LDF2,Q9LDF2,MGLFESVKSIDWEQESFPTYQDLGFLPLFAVFFPTIRFLLDRFVFEKLASLVIYGRMSTNKSDNIKDRKKNSPKVRKFKESAWKCIYYLSAELLALSVTYNEPWFSNTLYFWIGPGDQIWPDQPMKMKLKFLYMFAAGFYTYSIFALVFWETRRSDFGVSMGHHITTLVLIVLSYICRLTRAGSVILALHDASDVFLEIGKMSKYCGAESLASISFVLFALSWVVLRLIYYPFWILWSTSYQIIMTVDKEKHPNGPILYYMFNTLLYFLLVLHIFWWVLIYRMLVKQVQDRGKLSEDVRSDSESDDEHED,CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO>>,public_strict_iteration1_fulltrue_msa,,-2.161150909262745,,s_089ae66b7a466891ec7716ea,test
catpreddb_km_km_51230d4f253880,catpred_iteration1_km,km,Q5M9G0,Q5M9G0,MSDISCKKRDDYLEWPEYFMAVAFLSAQRSKDPSSQVGACIVNTENKIVGIGYNGMPNGCSDDLLPWRRTAENKLDTKYPYVCHAELNAIMNKNSADVKGCSMYVALFPCNECAKLIIQAGIKEVIFMSDKYHDSEETTAARLLFKLAGVTFRKFTPKYSKIVIDFDSINSRPSQKPQ,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.3957215605319271,,s_4915229279490447b463a197,test
catpreddb_km_km_5139967552df2e,catpred_iteration1_km,km,Q3ZFI4,Q3ZFI4,MASSLKKLITSFLLFFFYTIIVASSEPSCRRYKSIISFGDSIADTGNYLHLSDVNHPPQAAFLPYGETFFSVPTGRDSDGRLIIDFIAEFLGLPYVPPYFGSQNVSFEQGVNFAVYGATALDRAFFIEKGIVSDFTNVSLSVQLNTFKQILPTLCASSSRDCREMLGDSLILMGESGGNDYNYPFFEDKSINEIKELTPLIIKAISDAIVDLIDLGGKTFLVPGSFPVGCSAAYLTLFQTAKEKDYDPLTGCLPWLNDFGKHHDEQLKTEIRRLRKLYPHVNIMYADYYNSLYRLYQKPTKYGFKNRPLAACCGVGGQYNFTIGEECGYEGVGYCQNPSEYINWDGYHITEAAHQKMAHGILNGPYATPAFNWSCLDAASVDNESSFGS,C[N+](C)(C)CCOC(=O)CCc1ccccc1,C[N+](C)(C)CCOC(=O)CCc1ccccc1,C[N+](C)(C)CCOC(=O)CCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.9956786262173574,,s_0d1c5c7c65b126e6daf574bd,test
catpreddb_km_km_514f0893385b0c,catpred_iteration1_km,km,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,COP(=S)(OC)Oc1ccc(SC)c(C)c1,COP(=S)(OC)Oc1ccc(SC)c(C)c1,COP(=S)(OC)Oc1ccc(SC)c(C)c1>>,public_strict_iteration1_fulltrue_msa,,-2.5686362358410126,,s_709e219952fa967255321ee7,test
catpreddb_km_km_515632a71729a5,catpred_iteration1_km,km,P08069,P08069,MKSGSGGGSPTSLWGLLFLSAALSLWPTSGEICGPGIDIRNDYQQLKRLENCTVIEGYLHILLISKAEDYRSYRFPKLTVITEYLLLFRVAGLESLGDLFPNLTVIRGWKLFYNYALVIFEMTNLKDIGLYNLRNITRGAIRIEKNADLCYLSTVDWSLILDAVSNNYIVGNKPPKECGDLCPGTMEEKPMCEKTTINNEYNYRCWTTNRCQKMCPSTCGKRACTENNECCHPECLGSCSAPDNDTACVACRHYYYAGVCVPACPPNTYRFEGWRCVDRDFCANILSAESSDSEGFVIHDGECMQECPSGFIRNGSQSMYCIPCEGPCPKVCEEEKKTKTIDSVTSAQMLQGCTIFKGNLLINIRRGNNIASELENFMGLIEVVTGYVKIRHSHALVSLSFLKNLRLILGEEQLEGNYSFYVLDNQNLQQLWDWDHRNLTIKAGKMYFAFNPKLCVSEIYRMEEVTGTKGRQSKGDINTRNNGERASCESDVLHFTSTTTKYGSQVEDQRECVSRQEYRKYGGAKLNRLNPGNYTARIQATSLSGNGSWTDPVFFYVQAKTGYENFIHLIIALPVAVLLIVGGLVIMLYVFHRKRNNSRLGNGVLYASVNPEYFSAADVYVPDEWEVAREKITMSRELGQGSFGMVYEGVAKGVVKDEPETRVAIKTVNEAASMRERIEFLNEASVMKEFNCHHVVRLLGVVSQGQPTLVIMELMTRGDLKSYLRSLRPEMENNPVLAPPSLSKMIQMAGEIADGMAYLNANKFVHRDLAARNCMVAEDFTVKIGDFGMTRDIYETDYYRKGGKGLLPVRWMSPESLKDGVFTTYSDVWSFGVVLWEIATLAEQPYQGLSNEQVLRFVMEGGLLDKPDNCPDMLFELMRMCWQYNPKMRPSFLEIISSIKEEMEPGFREVSFYYSEENKLPEPEELDLEPENMESVPLDPSASSSSLPLPDRHSGHKAENGPGPGVLVLRASFDERQPYAHMNGGRKNERALPLPQSSTC,CN=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(C)O,CN=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(C)O,CN=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)CN=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_215f29f7c2049b132e725df1,test
catpreddb_km_km_516b7978d37c67,catpred_iteration1_km,km,Q59RW5,Q59RW5,MTETSISGLRGPKSMYFMEIVDVSSQESSVLSSIVESFTSAVSASNLGVYSDEVLCDIKSSLKENSPITMLPNYNVSPTGDEHGQYLVIDLGGSTLRIAVVDISKPHPNLSRSERITIVVEKSWIIGNDFKRIDGEFFKYIGSKINEILMGQNVIDVKSVINTGITWSFPLETTDYNRGKIKHVSKGYTVGEDIYDKDLKMVLEDTLRQEYGLTLDVQSILNDSLAVYSAGCFIDSKMKLAMVLGTGINMCCSLKRSSDIHPSKMLADATLFNCELSLFGQNLCKDFATKYDIIIDKRFAGLSHHFKTFMEPDPITKTLFQPHELMTSGRYLPELTRLVVVDLIEAGEIFQNVDHQQMYQEYGGFSGELICFVHENDDYDDIHDKLCKAYGWTTVGLSDIVCLKEVVSCIIKRAAFIVANAIIAFFKLLGSDELGGDVTIGYVGSVLNYFHKYRRLIVEYVNSAEEAKGIKVDLKLIENSSIIGAAIGAAYHK,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3693197873190321,,s_99c65aa0c71a3df4836c53c4,test
catpreddb_km_km_516ca9316d198b,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1,CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1,CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.607477520834228,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_516ef02f213a3a,catpred_iteration1_km,km,P38993,P38993,MTNALLSIAVLLFSMLSLAQAETHTFNWTTGWDYRNVDGLKSRPVITCNGQFPWPDITVNKGDRVQIYLTNGMNNTNTSMHFHGLFQNGTASMDGVPFLTQCPIAPGSTMLYNFTVDYNVGTYWYHSHTDGQYEDGMKGLFIIKDDSFPYDYDEELSLSLSEWYHDLVTDLTKSFMSVYNPTGAEPIPQNLIVNNTMNLTWEVQPDTTYLLRIVNVGGFVSQYFWIEDHEMTVVEIDGITTEKNVTDMLYITVAQRYTVLVHTKNDTDKNFAIMQKFDDTMLDVIPSDLQLNATSYMVYNKTAALPTQNYVDSIDNFLDDFYLQPYEKEAIYGEPDHVITVDVVMDNLKNGVNYAFFNNITYTAPKVPTLMTVLSSGDQANNSEIYGSNTHTFILEKDEIVEIVLNNQDTGTHPFHLHGHAFQTIQRDRTYDDALGEVPHSFDPDNHPAFPEYPMRRDTLYVRPQSNFVIRFKADNPGVWFFHCHIEWHLLQGLGLVLVEDPFGIQDAHSQQLSENHLEVCQSCSVATEGNAAANTLDLTDLTGENVQHAFIPTGFTKKGIIAMTFSCFAGILGIITIAIYGMMDMEDATEKVIRDLHVDPEVLLNEVDENEERQVNEDRHSTEKHQFLTKAKRFF,CNCC(O)c1ccc(O)c(O)c1,CNCC(O)c1ccc(O)c(O)c1,CNCC(O)c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,0.7634279935629373,,s_47d6ad19027377fc8c915789,test
catpreddb_km_km_51879f4f9fb21c,catpred_iteration1_km,km,P07871,P07871,MHRLQVVLGHLAGRSESSSALQAAPCSAGFPQASASDVVVVHGRRTPIGRAGRGGFKDTTPDELLSAVLTAVLQDVKLKPECLGDISVGNVLQPGAGAAMARIAQFLSGIPETVPLSAVNRQCSSGLQAVANIAGGIRNGSYDIGMACGVESMTLSERGNPGNISSRLLENEKARDCLIPMGITSENVAERFGISRQKQDAFALASQQKAASAQSKGCFRAEIVPVTTTVLDDKGDRKTITVSQDEGVRPSTTMEGLAKLKPAFKDGGSTTAGNSSQVSDGAAAVLLARRSKAEELGLPILGVLRSYAVVGVPPDIMGIGPAYAIPAALQKAGLTVNDIDIFEINEAFASQALYCVEKLGIPAEKVNPLGGAIALGHPLGCTGARQVVTLLNELKRRGRRAYGVVSMCIGTGMGAAAVFEYPGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS>>,public_strict_iteration1_fulltrue_msa,,-2.114364777612645,,s_b19a8f0986d15ddae5bdcdf4,test
catpreddb_km_km_51a296ee4e9835,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,O=P(O)(O)OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)C[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_51a913b60af505,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_51bb2719ae14d7,catpred_iteration1_km,km,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.6676790122219374,,s_006f723d5d8d505a1b6694d0,test
catpreddb_km_km_51c69b4810b1c0,catpred_iteration1_km,km,O09173,O09173,MAELKYISGFGNECASEDPRCPGSLPKGQNNPQVCPYNLYAEQLSGSAFTCPRNTNKRSWLYRILPSVSHKPFESIDQGHVTHNWDEVGPDPNQLRWKPFEIPKASEKKVDFVSGLYTLCGAGDIKSNNGLAVHIFLCNSSMENRCFYNSDGDFLIVPQKGKLLIYTEFGKMSLQPNEICVIQRGMRFSVDVFEETRGYILEVYGVHFELPDLGPIGANGLANPRDFLIPVAWYEDRRVPGGYTVINKFQGKLFACKQDVSPFNVVAWHGNYTPYKYNLENFMVINAVAFDHADPSIFTVLTAKSLRPGVAIADFVIFPPRWGVADKTFRPPYYHRNCMSEFMGLIKGHYEAKQGGFLPGGGSLHSAMTPHGPDADCFEKASKAKLEPERIADGTMAFMFESSLSLAVTKWGLKTCSCLDENYYKCWEPLRSHFTPNSRSPTEPK,O=C(O)Cc1cc(O)ccc1O,O=C(O)Cc1cc(O)ccc1O,O=C(O)Cc1cc(O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.7258421507363202,,s_d690bc6535a91711dcfe8507,test
catpreddb_km_km_51cb0fae70e7e8,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,O=Cc1cccnc1,O=Cc1cccnc1,O=Cc1cccnc1>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_51d8e4484a13d8,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_51efa44c493895,catpred_iteration1_km,km,P97608,P97608,MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEEGVLLPRGRPLDTSRIASIRMGTTVATNALLERQGERVALLVTRGFRDLLHIGTQARPDLFDLAVPMPEVLYEEVLEVDERVVLYRGEPGAGSPVKGRTGDLLEIQQPVDLEALRGKLEGLLSRGIHSLAVVLMHSYTWAQHEQQVGTLARELGFTHVSLSSEVMPMVRIVPRGHTACADAYLTPTIQRYVQGFRRGFQGQLKNVQVLFMRSDGGLAPMDAFSGSRAVLSGPAGGVVGYSATTYHLEGGQPVIGFDMGGTSTDVSRYAGEFEHVFEASTAGVTLQAPQLDINTVAAGGGSRLFFRSGLFVVGPESAGAHPGPACYRKGGPVTVTDANLVLGRLLPASFPCIFGPGEDQPLSPEASRKALEAVAMEVNSFLTNGPCPASQLSLEEVAMGFVRVANEAMCRPIRALTQARGHDPSAHVLACFGGAGGQHACAIAIPVHLGAMQETVQFQIQHLGADLHPGDVLLSNHPSAGGSHLPDLTVITPVFWPGQTRPVFYVASRGHHADIGGITPGSMPPHSTTLQQEGAVFLSFKLVQGGVFQEEAVTEALRAPGKISGCSGTRNLHDNLSDLRAQVAANQKGIQLVGELIGQYGLDVVQAYMGHIQANAELAVRDMLRAFGTSRQARGLPLEVSAEDHMDDGSPICLRVQINLSQGSAVFDFTGSGSEVFGNLNAPRAITLSALIYCLRCLVGRDIPLNQGCLAPVRVIIPKGSILDPSPEAAVVGGNVLTSQRVVDVILGAFGACSASQGCMNNVTLGNARMGYYETVAGGAGAGPGWHGRSGVHSHMTNTRITDPEILESRYPVILRRFELRPGSGGRGRFRGGDGVVRELVFREEALLSVLTERRAFQPYGLHGGEPGARGLNLLIRKDGRTVNLGGKTSVTVYPGDVFCLHTPGGGGYGDPEDPAPPPGSPPLFPAFPERGSVFEYRRAQEAV,O=C(O)C1CSC(O)=N1,O=C(O)C1CSC(O)=N1,O=C(O)C1CSC(O)=N1>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_1bc53897037525803578d594,test
catpreddb_km_km_52045f06c9f5e7,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3003362339206606,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_52146432e32c95,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CN=C(O)CCl,O=C(O)CN=C(O)CN=C(O)CCl,O=C(O)CN=C(O)CN=C(O)CCl>>,public_strict_iteration1_fulltrue_msa,,-0.3767507096020995,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_521fb4d37bbe93,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.3010299956639813,,s_f28c949d1503440bae214094,test
catpreddb_km_km_5230c769107aa2,catpred_iteration1_km,km,Q24JL3,Q24JL3,MKRAFSSQLRSAYPASKSTHFGRVMASSGSEAKANYAPISTNEPVVSVDWLHSNLGDADIKVLDASWYMAHEQRNPIQEYQVAHIPGALFFDLNGIADRKTNLRHMLPSEEAFAAGCSALGIENNDGVVVYDGMGLFSAARVWWMFRVFGHDKVWVLDGGLPKWRASGYDVESSVSNDAILKASAATEAIEKIYQGQTISPITFQTKFRPHLVLALDQVKENIEDKTYQHIDARSKARFDGIAPEPWKGLPSGHIPGSKCVPFPLMFDSSQTLLPAEELKKQFEQEDISLDSPIAASCGTGVTACILALGLYRLGKTNVAIYDGSWTEWATAPNLPIVGSSS,O=S(=O)(O)[S-],O=S(=O)(O)[S-],O=S(=O)(O)[S-]>>,public_strict_iteration1_fulltrue_msa,,0.7323937598229685,,s_4444e71530bfb89335d6e15b,test
catpreddb_km_km_5239cc4460536f,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CCCCCC(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,CCCCCC(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,CCCCCC(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_5248486d4e8a02,catpred_iteration1_km,km,J9WN12,J9WN12,MVLEIAVKAAVGAPDILGDCPFSQRALLTLEEKKIPYKSHLINLSDKPQWFLEVNPEGKVPVVKFDDKWVADSDVIVGILEEKYPEPSLATPPEFASVGSKIFPSFVKFLKSKDPNDGSEQALIEELKALDDHLKAHGPFIAGEKISAVDLSLAPKLYHLEVALAHFKNWTIPDKLTHVLNYIKLLFSRESFEKTKAAKEYIIAGWEPKVNA,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3579348470004537,,s_8461037d4a80ae36c1a41430,test
catpreddb_km_km_526d36d9039069,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0086001717619175,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_5278a00549343c,catpred_iteration1_km,km,D6XZ22,D6XZ22,MHEIGEHLTTNTGWDIIKNRYEAAQAITEGSNFMIGNGFMGYRGTFAEDGKDAYAACIVTDTWDKADGKWEELSTVPNALLTLLHVDGEPFIMSEEAASFERTLDLSQGVTSRKVSQRMKNGATITIHEEKFASYRKKHAVLMKYTVESDQDTDAVLDTGIDYDVWSINGDHLQGHHYFSHPTGDGVTAKTVSYEDTVTVVETCSLDADASEEDYQNPDGSGRTFSLSLEAGKPVTLEKAMIIYSSNDVDNPQDEALLEAKHMQSYEEEKAANRLEWDNLWSHYDVTIQNNIIDQVALRFNIYHAIIATPVHKSLPIGARGLSCQAYQGAAFWDQEIYNMPMYLYSNPEIARNILKYRHRTLDGARRKAKRLGYEGAYYAWISGKTGDELCPDFFFKDVLSGRDIRNHFNDWQIHISPDIAYAVKKYHQVTGDDAFIRDYGAEMIFEIARFLASHAVYKPMRGRYEFMRVQGPDEYHENVDNNAFTNHQAMFTLQAADELLQTLDEKTLSAVKEKIGLSDDEISLWRDMLANTYVPKPDKHGIIEQFDGYYDLETIIPAKKVTERLIKEDEYYGYPNGVTVRTQCIKQADVIQLFVLHPHLYDRKTVELNYEFYEPRTLHFSSLSPSSYAIVAAQIDKVEEAYRNFRKSVMIDLLNTNEAVSGGTFIGGIHTAANGASWQMVVNGFGGLSVHGDDIHLSPRLPDAWDGYTFKAIVKGQTLEVDVTKEQITITNKSEDRKPLTLHIFGEKSVLDSERITKSR,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2441251443275085,,s_a552d0eac025e054561f5816,test
catpreddb_km_km_5288b18eb916db,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CC(O)CC(=O)O,CC(O)CC(=O)O,CC(O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0306131125595577,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_528edac302ef50,catpred_iteration1_km,km,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_38095aa1b1ee0421254bd92b,test
catpreddb_km_km_52ad208ea75940,catpred_iteration1_km,km,E9LVI0,E9LVI0,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3416997735008355,,s_622f654e005640bab6abcb8a,test
catpreddb_km_km_52ae900c46ba8f,catpred_iteration1_km,km,A0A482KFZ6,A0A482KFZ6,GNSSSPAFGELKDYYLFYLKSKSPKEELLKMWGEVLTSEESVFEVFVLYLSGEPNRNGHK,CN1c2c(O)nc(=N)[nH]c2NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CN1c2c(O)nc(=N)[nH]c2NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,CN1c2c(O)nc(=N)[nH]c2NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.5707314012151803,,s_8372bf0970984a3ef2d9c891,test
catpreddb_km_km_52b1f049c647c1,catpred_iteration1_km,km,O67625,O67625,MVDIIIAEHAGFCFGVKRAVKLAEESLKESQGKVYTLGPIIHNPQEVNRLKNLGVFPSQGEEFKEGDTVIIRSHGIPPEKEEALRKKGLKVIDATCPYVKAVHEAVCQLTREGYFVVLVGEKNHPEVIGTLGYLRACNGKGIVVETLEDIGEALKHERVGIVAQTTQNEEFFKEVVGEIALWVKEVKVINTICNATSLRQESVKKLAPEVDVMIIIGGKNSGNTRRLYYISKELNPNTYHIETAEELQPEWFRGVKRVGISAGASTPDWIIEQVKSRIQEICEGQLVSS,C/C(=C\COP(=O)(O)OP(=O)(O)O)CO,C/C(=C\COP(=O)(O)OP(=O)(O)O)CO,C/C(=C\COP(=O)(O)OP(=O)(O)O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.2291479883578558,,s_5775fc9e283ca437e7797c8a,test
catpreddb_km_km_52b21808f64987,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCCC1CCC(=O)O1,CCCCCCCCC1CCC(=O)O1,CCCCCCCCC1CCC(=O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.3187587626244128,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_52c819a5eea2e9,catpred_iteration1_km,km,P19464,P19464,MDSFPVINMEKLEGQERAATMKLINDACENWGFFELVNHSIPVELMDEVERLTKEHYKKCMEQRFKELMASKVEGAVVDANDMDWESTFFIRHLPVSNLSEIPDLTDEHRKVMKEFAEKLEKLAEQVLDLLCENLGLEKGYLKMAFAGTTTGLPTFGTKVSNYPPCPRPELFKGLRAHTDAGGLILLFQDDRVAGLQLLKDGEWVDVPPMNHSIVINLGDQVEVITNGKYKSVMHRVVAQTDGNRMSLASFYNPGSDAVIFPAPALVEKEAEEKKEVYPKFVFEDYMNLYAGLKFQAKEPRFEVMKMKAVETANLSPITT,O=C1OC(C(O)CO)C(O)=C1O,O=C1OC(C(O)CO)C(O)=C1O,O=C1OC(C(O)CO)C(O)=C1O>>,public_strict_iteration1_fulltrue_msa,,0.2559416804894372,,s_2191740ee3eca938d63689e3,test
catpreddb_km_km_52e0b83bec0dfc,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,Nc1ccc(I)cc1,Nc1ccc(I)cc1,Nc1ccc(I)cc1>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_52f17336ac3934,catpred_iteration1_km,km,A0A9E6E518,A0A9E6E518,MSEMTLYGYWRSSAAYRVRIALNLKQLPYEQRSIHLVNNGGEQHSVQFQSLNASELVPVLIDGSVRLNQSLAIIDYLDEQYPSYLLTPLETQSRFLVKALAQDIAVDIHPINNLRVLQYLSNELSVDEAQKSRWYRHWINVGFHSLEKKLSETHGAYCVGDEISLVDVCLVPQVYNAERFSVDLDRYPIIQKVTVSLCRHPAFIAAAPENQPDAVAS,COC(=O)/C=C\C(C)=O,COC(=O)/C=C\C(C)=O,COC(=O)/C=C\C(C)=O>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_d3d474a7bb6454c732e4921f,test
catpreddb_km_km_5310f0e3b0b479,catpred_iteration1_km,km,Q9M1W4,Q9M1W4,MTGNSFNSMKDFLKQTGGYAVIDGGLATEFERHGADLNDPLWSAKCLVTSPHLIHTVHLDYLEAGADIISSASYQATIQGFEAKGFSREESESLLKKSVEIATEARNSYYDKCGTSSSMDDKILKKRPILVAASVGSYGAYLADGSEYSGIYGDSITLEKLKDFHRRRLQVLAESGADLIAFETIPNKIEAQAFADLLEEGDVKIPGWFSFNSKDGVNVVSGDSIKECISIAENCEKVVAVGINCTPPRFIEGLVLEIEKVTSKPILVYPNSGESYDADRKEWVENTGVGDEDFVSYVEKWMDAGVSLLGGCCRTTPTTIRAIHKRLVNRRSL,N[C@@H](CCS)C(=O)O,N[C@@H](CCS)C(=O)O,N[C@@H](CCS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6003297252732092,,s_78d8427694ba2a5941cb1004,test
catpreddb_km_km_531c92c8b1a3eb,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,Oc1cccc2c1cc1ccc3cccc4ccc2c1c34,Oc1cccc2c1cc1ccc3cccc4ccc2c1c34,Oc1cccc2c1cc1ccc3cccc4ccc2c1c34>>,public_strict_iteration1_fulltrue_msa,,-0.266000713461613,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_531e4b9400f979,catpred_iteration1_km,km,O54050,O54050,MEIAFLLNGETRRVRIEDPTQSLLELLRAEGLTGTKEGCNEGDCGACTVMIRDAAGSRAVNACLMMLPQIAGKALRTIEGIAAPDGRLHPVQQAMIDHHGSQCGFCTPGFIVSMAAAHDRDRKDYDDLLAGNLCRCTGYAPILRAAEAAAGEPPADWLQADAAFTLAQLSSGVRGQTAPAFLPETSDALADWYLAHPEATLIAGGTDVSLWVTKALRDLPEVAFLSHCKDLAQIRETPDGYGIGAGVTIAALRAFAEGPHPALAGLLRRFASEQVRQVATIGGNIANGSPIGDGPPALIAMGASLTLRRGQERRRMPLEDFFLEYRKQDRRPGEFVESVTLPKSAPGLRCYKLSKRFDQDISAVCGCLNLTLKGSKIETARIAFGGMAGVPKRAAAFEAALIGQDFREDTIAAALPLLAQDFTPLSDMRASAAYRMNAAQAMALRYVRELSGEAVAVLEVMP,Oc1nc(O)c2nc[nH]c2n1,Oc1nc(O)c2nc[nH]c2n1,Oc1nc(O)c2nc[nH]c2n1>>,public_strict_iteration1_fulltrue_msa,,-0.9430951486635272,,s_17dfb6488093fe1b6cdf6bec,test
catpreddb_km_km_532324cc9b65f6,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0409586076789064,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_53237295a10375,catpred_iteration1_km,km,Q3S4B7,Q3S4B7,MSDNPADLPVLVAGGGIGGLAAALALVRRGFSVKVLEQAPEIGEIGAGIQLGPNAFHAFDALGIGEKARGRAVYTDEMVMHDAIDGSLVGRIPTGEAFRQRFGNPYAVIHRVDVHLSLLEGAQETGKVEFLTSTRALRIEQDEGSVTVYDQHGNAHKGIALIGADGVKSVVREQFVGDAARVTGHVVYRAVVDKKDFPESLQWNAASIWVGPNCHLVHYPLRGGEQYNVVVTFHSRQPEQWGVTEGSKEEVQSYFQGICPQARQLIDLPKTWKRWATADREPIGQWSFGRVTLLGDAAHPTTQYMAQGACMAMEDGVTLGEALRVNNNDFPKAFELYQRSRVARTARIVLSSREMGRIYHAQGVERLVRNDLWKGRTPERFYDAMEWLYGWNVGNCLAKD,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.30715308072277,,s_1463817ddd6ab20b700ea94c,test
catpreddb_km_km_5326de4fadb1bc,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5185139398778875,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_532d06943d477f,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.7672331082272797,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_5334e8f2ca2604,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(=O)O,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(=O)O,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1938200260161128,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_53519a9f8d8943,catpred_iteration1_km,km,Q9UVQ5,Q9UVQ5,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSISTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,COc1ccccc1O,COc1ccccc1O,COc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.1487416512809248,,s_7be56673c21fd425bdc26c98,test
catpreddb_km_km_537ea9d5e0da8c,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4471580313422192,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_538326927df30a,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_538ea2894ce4d8,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)CCC(=O)O)C[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)CCC(=O)O)C[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)CCC(=O)O)C[C@]12C>>,public_strict_iteration1_fulltrue_msa,,0.3404441148401183,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_539f887e40706a,catpred_iteration1_km,km,Q9YE01,Q9YE01,MEDLYLSWPKWFSEALARYSSLEGALEGVEEIYYCGMGGSGAAGDYIEALLSIYAPQGPEFRVVKDFRPPRPPRHRGYGLVLASYSGNTLETVECGSLLSPAAGRVVAVTSGGRLLEMAKERGWLVARLPGGILPRVSFPWMLAASTAMLSGALGVDLEALKRLAGGLDTQGLKGEAERLAGFISRYRIASLVTCGPGIPLAVRLKNELAENAKMPSRLEIYPESSHNDIVALEAAEGLYGAVFIWIEHEGSLCPAVLDVVEGIYREYGVDTISIESSARGGPNATVAEYLSRTLVFGLASVRLALMRGFNPEETPPIDKYKRRLGEALRSQA,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.2927303647542503,,s_2f7fca05c88d6aadd7f589b4,test
catpreddb_km_km_53a8bf4c10bfc6,catpred_iteration1_km,km,Q71SU7,Q71SU7,MSYGIVMNMNLCIITSFLLLDPVLSSRLNAFQNVNNVLIPSIENTIINNSIAADIDLHNDKTTICSSDNPVVHTSVGIYCGLREIVHWPNGPASMVDVYYGIRYAQSPTGSLRFKKPVEPIPEPKKIFMADKLPPTCPQPKDTMFQNSAAARMWVPNTPMSEDCLFLNIWVPIKESNGSHPNSKEKLAVMLWIYGGSFYMGTSTLSVYDARFLAARQNIIVASMNYRLGSFGFLYMNTEEAPGNMGLWDQRLAMKWIKDHIEHFGGDPYRITLFGESAGAVSVSTHVVSPWSHSYYNNAIMQSGSIFSNWGLATSEVSLNQTQRLAKILGCGYRSSNDQIKCLRSKSITEILDAHDTMYDPASYFSVPFPPVLDNNFFPYENSQSFRQLKYLKPSGALMFGINKNEGSYFLLYAFVSNSKWMKNLTDLPITNRMDYLRCLRQVLDLDDDDERPEFTEPLIRYTDFEYQTYQQLPTLESWTERLEEISSDRSFKCPTINMATAVTNDYRIPGRRRAHTLPVYFYEFQHRTVSLPMPKWTGTMHGYEIEYVFGIPFSPQFQASFYRFTDEERQLSDIMMTYWANFARTGDPNILPDGRHVTDNLNPDDPDEITEDQLKDSLSHKQGSKNPFIGWPEFRNSTKAYIVFRSAPANLLVSTRPRHRQCLFWRRWYPALLQQVERNRQHCLGV,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.707743928643524,,s_2554d19e6560f910223a6f5f,test
catpreddb_km_km_53afae8a09fd17,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_53c1ca8b3022a5,catpred_iteration1_km,km,Q27705,Q27705,MLSSSHLPTTIVTPKNVPTLGVLVGGGPAPGINGVIGAVTIEAINNGYRVLGFLEGFQNLILQDDSKIVELTIDSVSRIHFEGGSILKTSRANPTKKQEDLQKVVKQLQKFNVSLLVTIGGDDTAFSSMSVAKAANNEIHVVTLPKTIDNDLPLPYGIPTFGYETAREFGANVVRNLMTDASTASRYFIVVAMGRQAGHLALGIGKSAGSHLTLIPEEFLPTTDSTEPEVTFSRICDMIEASIIKRLYTSKKDHGVIVLAEGLLEYMSTDELKQAFGSSLKYDAHDHIMLAELDFGRLVRDEMRERMNRRGLKIAFTEKNLGYELRCAPPNAFDREYTRDLGNGAVRYLLNGGNGALITVQGVKMVPLSFDDLKDPRTGKTRTRQVDVSSEGFQVAKRYMIRLEKKDFEKEETLKGLAATAKCSVEDFIKQFKYLVQ,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_009bffb5a8febe1432335e9c,test
catpreddb_km_km_53c47f3a46e450,catpred_iteration1_km,km,Q8QTF3,Q8QTF3,MEGEHQYLNLVREILERGVKKDDRTGTGTLSIFGPQMRFSLRDDTIPVLTTKKIFWRGVVEELSWFIRGNTDAKELAKKKIHIWNANGSREFLDSRGLYDRAEGDLGPVYGFQWRHFGAEYDTCSSDYTGKGIDQLANILKTLRENPDDRRMIMTAWNPMDLHLMALPPCHMTAQFYVANGELSCQLYQRSGDVGLGVPFNIASYSLLTHLMASMVGLKPGEFILTLGDAHIYNTHIEVLKKQLCRVPRPFPKLRILMAPEKIEDFTIDMFYLEGYQPHSGNLQMKMAV,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21>>,public_strict_iteration1_fulltrue_msa,,-1.8728952016351923,,s_fea9e3ffbf8f28b67b0bf7c4,test
catpreddb_km_km_53d39e03eb9853,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,CC(=O)C1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CBr)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)C1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CBr)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C,CC(=O)C1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CBr)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_53fb04944a2245,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_53fe3ff8d1187e,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9208187539523751,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_54078f4a6e1b09,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,CC(O)[C@H](O)C1CNc2[nH]c(=N)nc(O)c2N1,CC(O)[C@H](O)C1CNc2[nH]c(=N)nc(O)c2N1,CC(O)[C@H](O)C1CNc2[nH]c(=N)nc(O)c2N1>>,public_strict_iteration1_fulltrue_msa,,-1.576754126063192,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_5430180dab232e,catpred_iteration1_km,km,Q8WN98,Q8WN98,MKDPDPSQVYRPDMDPEAAKDKGSFRNYTSGPLLDRVFRTYKLMHTWQTVDFVRKKHAQFGGFSYKRMTVLEAVDMLDGLVDESDPDVDFPNSFHAFQTAEGIRKAHPDKDWFHLVGLLHDLGKVLVLAGEPQWAVVGDTFPVGCRPQASVVFCDSTFQDNPDLQDPVYSTELGMYQPHCGLENALMSWGHDEYMYQMMKFNKFSLPGEAFYIIRFHSFYPWHTGGDYRQLCNEQDLAMLPWVQEFNKFDLYTKGSDMPDVDELRPYYQGLIDKYCPGVLCW,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7708520116421442,,s_aa46efec2bc6c16ffd1ea3c7,test
catpreddb_km_km_54428dc073ad0b,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,CCCCC(CC)COS(=O)(=O)O,CCCCC(CC)COS(=O)(=O)O,CCCCC(CC)COS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1804560644581312,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_54450011636fac,catpred_iteration1_km,km,W8VZ54,W8VZ54,MTSYDYDYVVIGGGSGGMASSKEAARLGARVALFDFVKPSTQGTKWGLGGTCVNVGCVPKKLMHYAGLLGAGLHDARHFGWRLGEPTHDWTALRTAVQNHVKSLNFGYRNGLRSAKVNYLNQLARFADPHTVEYTEKDGSVKRLTAAHICISVGGRPIIPTDVPGAVEHAITSDDIFALKNAPGRTLVVGASYIALECAGFLNELGYDVTVAVRSIVLRGFDRQCSEKVASLMADIGVKFKYGPLPTKIEKADGQLHVTFSDGTVDTYQTVLYATGRYADTGGLALENAGVVVGKNGKIPVINEVTNVPHIYAVGDIVEGGLELTPVAIRAGELLARRLFAGATEQMDYVNVPTAVFTPFEYGCVGYTEEAAIAKYGEENIETYLFEFASLELGAAHRSKVPARRADEFDDALPLPCLSKLVCLKPEGERVVGFHYVGPNAGEVTQGFALAVILGATKKDFNKVIGIHPTDAESFTALDITRASGQPFAASGGCGGGKCG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.2518119729938,,s_e77e91408a71927ee8058d29,test
catpreddb_km_km_5452cad4c13c09,catpred_iteration1_km,km,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O,CC(C)(ON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CSC12)c1csc(N)n1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5464192668351917,,s_27531fb3688217415c49ec38,test
catpreddb_km_km_54681641c4f8e5,catpred_iteration1_km,km,F4K5T2,F4K5T2,MEDRVLIKNDVTELIGNTPMVYLNKIVDGCVARIAAKLEMMEPCSSIKDRIAYSMIKDAEDKGLITPGKSTLIEATGGNTGIGLASIGASRGYKVILLMPSTMSLERRIILRALGAEVHLTDISIGIKGQLEKAKEILSKTPGGYIPHQFINPENPEIHYRTTGPEIWRDSAGKVDILVAGVGTGGTVTGTGKFLKEKNKDIKVCVVEPSESAVLSGGKPGPHLIQGIGSGEIPANLDLSIVDEIIQVTGEEAIETTKLLAIKEGLLVGISSGASAAAALKVAKRPENVGKLIVVIFPSGGERYLSTELFESVRYEAENLPVE,NC(CS)C(=O)O,NC(CS)C(=O)O,NC(CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_257edbb60d389bbc924d415d,test
catpreddb_km_km_5469ceb4db367a,catpred_iteration1_km,km,Q72G76,Q72G76,MLFPTMKRFLRGLVWLLGLFLFLALLLGFSGYLYLRASLPQGEGRIALEGLSAPVEVVRDGKGVVRIRAATLKDLFFAQGFVHAQERLWQMEFQRRVGQGRLSEILGEATLPQDRFLRTWGFYRAARAAYGKLYPEEKEAVDAYAAGVNAFLASGAPLPPEFRLLGFRPEPWTGPDVLVWAKMMSYDLSGNWEEELKRHRLLARGVSPKRLLELKPPYPEDAPTVLRAEDLKLPLKREEAPSALLRMAPPRFMEASNNWVVAGSRTETGKPFLANDPHLALQAPSLWFLMALEAPGLRAIGATLPGLPGVVIGRNERIAWGVTNVGADVEDLYLLEEVEGRGYRYKGRVVPYGVREEVIRVKGGREEVLKVRETVYGPVITDALEDPPKTPMALRWVSLDEEDHILMAFLGVNRAGNWEEFKKALLPYSAPSQNFVYADVEGNIGYIAPGKFPVRKEGHTGMVPVPGNGEWDWLGYRRPEEWPQAFNPARGYLVTANHKVTPKGFPYALTYDWAEPYRAERIEELLLAKEKLSLEDMKAIQQDQKSLLYRDFRPVLELLTPLSEGARAWRDRLLAWDGTMAPGSEEALVFALWYTELTRLPQREVGEAYWDEPRYLLKALKEGDKNCDQPETEYRESCLDYAALALERALDRKEALGARAWGEVHRARFPHAVLTHTPLKRLSDREVAFGGDRYTVNVGPFDPETLAMGHGPSYRQIVDLSDMEGSLFVHPMGQSGHFLSRHYADLLPLWQRGDYLPMRFGAPLGRTLLLEPLPSP,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.214843848047698,,s_0302b035d94cd196362ff89e,test
catpreddb_km_km_5481990341d596,catpred_iteration1_km,km,B3VI55,B3VI55,MPIATSTGDNVLDFTVLGLNSGTSMDGIDCALCHFYQKTPDAPMEFELLEYGEVPLAQPIKQRVMRMILEDTTSPSELSEVNVILGEHFADAVRQFAAERNVDLSTIDAIASHGQTIWLLSMPEEGQVKSALTMAEGAILASRTGITSITDFRISDQAAGRQGAPLIAFFDALLLHHPTKLRACQNIGGIANVCFIPPDVDGRRTDEYYDFDTGPGNVFIDAVVRHFTNGEQEYDKDGAMGKRGKVDQELVDDFLKMPYFQLDPPKTTGREVFRDTLAHDLIRRAEAKGLSPDDIVATTTRITAQAIVDHYRRYAPSQEIDEIFMCGGGAYNPNIVEFIQQSYPNTKIMMLDEAGVPAGAKEAITFAWQGMEALVGRSIPVPTRVETRQHYVLGKVSPGLNYRSVMKKGMAFGGDAQQLPWVSEMIVKKKGKVITNNWA,O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O,O[C@@H]1[C@@H](O)[C@@H]2OC[C@@H](O2)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.1617601138771687,,s_9cdb9b9fd2dac4958cd857b7,test
catpreddb_km_km_548327adcb3314,catpred_iteration1_km,km,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,CCCCCCCCCCCCCCCC(O)C(N)CO,CCCCCCCCCCCCCCCC(O)C(N)CO,CCCCCCCCCCCCCCCC(O)C(N)CO>>,public_strict_iteration1_fulltrue_msa,,-1.710108201691595,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_km_km_54b76ed2d69beb,catpred_iteration1_km,km,P30349,P30349,MPEVADTCSLASPASVCRTQHLHLRCSVDFARRALTGTAALTVQSQEDNLRSLTLDTKDLTIEKVVINGQEVKYTLGESQGYKGSPMEISLPIALSKNQEVVIEISFETSPKSSALQWLTPEQTSGKQHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGEAPDPEDPSRKIYRFNQRVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFHALGGWGELQNTIKTFGESHPFTKLVVDLKDVDPDVAYSSIPYEKGFALLFYLEQLLGGPEVFLGFLKAYVEKFSYQSVTTDDWKSFLYAHFKDKVDLLNQVDWNAWLYAPGLPPVKPNYDVTLTNACIALSQRWVTAKEEDLNSFSIEDLKDLSSHQLNEFLAQVLQKAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEEAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKACMHPVTAMLVGKDLKVD,N[C@@H](Cc1ccccc1)C(O)=NCC(O)=NCC(=O)O,N[C@@H](Cc1ccccc1)C(O)=NCC(O)=NCC(=O)O,N[C@@H](Cc1ccccc1)C(O)=NCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_41290fa430588facd002147b,test
catpreddb_km_km_54c2e5dee96753,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,O=C(O)C(=O)CO,O=C(O)C(=O)CO,O=C(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.2441251443275085,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_54e3516b9a986f,catpred_iteration1_km,km,P56742,P56742,MNVFFMFSLLFLAALGSCAHDRNPLEECFRETDYEEFLEIAKNGLTATSNPKRVVIVGAGMAGLSAAYVLAGAGHQVTVLEASERVGGRVRTYRKKDWYANLGPMRLPTKHRIVREYIKKFDLKLNEFSQENENAWYFIKNIRKRVREVKNNPGLLEYPVKPSEEGKSAAQLYVESLRKVVKELKRTNCKYILDKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFGYEKRFDEIVGGMDQLPTSMYEAIKEKVQVHFNARVIEIQQNDREATVTYQTSANEMSSVTADYVIVCTTSRAARRIKFEPPLPPKKAHALRSVHYRSGTKIFLTCKKKFWEDDGIRGGKSTTDLPSRFIYYPNHNFTSGVGVIIAYGIGDDANFFQALDFKDCADIVINDLSLIHQLPKEDIQTFCRPSMIQRWSLDKYAMGGITTFTPYQFQHFSEALTAPFKRIYFAGEYTAQFHGWIDSTIKSGLTAARDVNRASENPSGIHLSNDNEF,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_f9506aedb3f92081e7f38e21,test
catpreddb_km_km_5504f084ef1a89,catpred_iteration1_km,km,Q38UH2,Q38UH2,MLNTENYEFWFVTGSQSLYGEETLRSVEKDAKEIVEKLNASHQLPYPIVFKLVATTADNITKVMKEANYNDHVAGVITWMHTFSPAKNWIRGTKLLQKPLLHLATQFLNKIPYDTIDFDYMNLNQSAHGDREYAFINARLRKNNKIISGYWGDEDVQKAMAKWMDVAVAYNESFKIKVVTFADKMRNVAVTDGDKVEAQIKFGWTVDYWGVGDLVAEVNAVSEADIDAKYADLQKEYDFVEGQNTPEKFEHNVKYQIREYFGLKKFMDDRGYTAFTTNFEDLVGLEQLPGLAAQLLMAEGYGFAGEGDWKTAALDRLLKIMAHNEKTVFMEDYTLDLRQGHEAILGSHMLEVDPSIASDKPRVEVHPLDIGDKDDPARLVFTGMQGDAVDVTMADYGDEFKLMSYDVRGNKPEADTPHLPVAKQLWTPKQGLREGAVGWLTVGGGHHTVLSFAVDSEQLQDLSHLFDLTYVNIK,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.770852011642144,,s_3abfebb2bc1f3a1b932e0e8f,test
catpreddb_km_km_5505e8187a04ca,catpred_iteration1_km,km,Q8BW75,Q8BW75,MSNKSDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDNNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTKSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVIVKTLNHEIYEAKYVISAIPPALGMKIHYSPPLPMLRNQLISRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGEEAPIAYTLDDTKPDGTYAAIMGFILAHKARKLVRLTKEERLRKLCELYAKVLNSQEALQPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVGKIFFAGTETASHWSGYMEGAVEAGERAAREILHAIGKIPEDEIWQPEPESLDVPARPITSTFLERHLPSVPGLLKLFGLTTILSATALGFLAHKRGLFVHF,CN1CC=C(c2ccc(Cl)cc2)C1,CN1CC=C(c2ccc(Cl)cc2)C1,CN1CC=C(c2ccc(Cl)cc2)C1>>,public_strict_iteration1_fulltrue_msa,,-1.4375034899870525,,s_a0b888c002ff8513ae40c263,test
catpreddb_km_km_551a2a791b2b44,catpred_iteration1_km,km,P77243,P77243,MSAQINNIRPEFDREIVDIVDYVMNYEISSKVAYDTAHYCLLDTLGCGLEALEYPACKKLLGPIVPGTVVPNGVRVPGTQFQLDPVQAAFNIGAMIRWLDFNDTWLAAEWGHPSDNLGGILATADWLSRNAVASGKAPLTMKQVLTAMIKAHEIQGCIALENSFNRVGLDHVLLVKVASTAVVAEMLGLTREEILNAVSLAWVDGQSLRTYRHAPNTGTRKSWAAGDATSRAVRLALMAKTGEMGYPSALTAPVWGFYDVSFKGESFRFQRPYGSYVMENVLFKISFPAEFHSQTAVEAAMTLYEQMQAAGKTAADIEKVTIRTHEACIRIIDKKGPLNNPADRDHCIQYMVAIPLLFGRLTAADYEDNVAQDKRIDALREKINCFEDPAFTADYHDPEKRAIANAITLEFTDGTRFEEVVVEYPIGHARRRQDGIPKLVDKFKINLARQFPTRQQQRILEVSLDRARLEQMPVNEYLDLYVI,CC(C(=O)O)C(O)(CC(=O)O)C(=O)O,CC(C(=O)O)C(O)(CC(=O)O)C(=O)O,CC(C(=O)O)C(O)(CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3565473235138126,,s_7f67345c4c0dd5973624a8a4,test
catpreddb_km_km_5553dfc7dc289c,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_5563cdd04d36e1,catpred_iteration1_km,km,Q7SIG3,Q7SIG3,VVGGRVAQPNSWPWQISLQYKSGSSYYHTCGGSLIRQGWVMTAAHCVDSARTWRVVLGEHNLNTNEGKEQIMTVNSVFIHSGWNSDDVAGGYDIALLRLNTQASLNSAVQLAALPPSNQILPNNNPCYITGWGKTSTGGPLSDSLKQAWLPSVDHATCSSSGWWGSTVKTTMVCAGGGANSGCNGDSGGPLNCQVNGSYYVHGVTSFVSSSGCNASKKPTVFTRVSAYISWMNGIM,CCC(C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,CCC(C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,CCC(C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_20f7683f837eb8444a532bea,test
catpreddb_km_km_55996a8d38f569,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.3424226808222062,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_55bd4742786bdc,catpred_iteration1_km,km,Q1M0X9,Q1M0X9,MLRYLVLASLIACSLSAVPKAKRPRLDGRIVGGRPADIADYPYQLSFEYYGSHMCGASIISPNWVVTAAHCVDGVSASSATFRAGGSIRESGGSVHQATQLIANPNYDYYTIDFDVAVARVSPAFSYGTGVQPIPLASSEPSAGQIATVSGWGTTSEGGSTLPSQLQVVSVPIVSRSECNQAYSDYGGITDDMICAAEQQGGKDACQGDSGGPLVVNGQLAGIVSWGVGCAEQGYPGVYSNVASLKGFITEQTGVN,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_372186b78485d574b1ed8d53,test
catpreddb_km_km_55dc9e8d691d2a,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCCC=CC=O,CCCC=CC=O,CCCC=CC=O>>,public_strict_iteration1_fulltrue_msa,,0.7363965022766424,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_56336452eb53f9,catpred_iteration1_km,km,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-3.886056647693164,,s_d41fba0c5b340501d312a097,test
catpreddb_km_km_56404bb23fcd50,catpred_iteration1_km,km,F7IX06,F7IX06,MSVTTPRRETSLLSRALRATAAAATAVVATVALAAPAQAANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVEEYRSTCPF,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.5327543789924978,,s_e806085a30d0427b3ece1df8,test
catpreddb_km_km_56580bd3615b96,catpred_iteration1_km,km,Q7Z8Q0,Q7Z8Q0,MEANPEVQTDIITLTRFILQEQNKVGASSAIPTGDFTLLLNSLQFAFKFIAHNIRRSTLVNLIGLSGTANSTGDDQKKLDVIGDEIFINAMKASGKVKLVVSEEQEDLIVFEGDGRYAVVCDPIDGSSNLDAGVSVGTIFGVYKLPEGSSGSIKDVLRPGKEMVAAGYTMYGASANLVLSTGNGCNGFTLDDPLGEFILTHPDLKLPDLRSIYSVNEGNSSLWSDNVKNYFKALKFPEDGSKPYSARYIGSMVADVHRTILYGGMFAYPADSKSKKGKLRLLYEGFPMAYIIEQAGGLAINDNGERILDLVPTEIHERSGVWLGSKGEIEKAKKYLLK,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_20eea5683b1186158b6189cf,test
catpreddb_km_km_56598aec50e407,catpred_iteration1_km,km,A0A1E1FNX1,A0A1E1FNX1,MLRRASLPHRKTTRRSFVAAALLLAFAAPAAPAVAADSPGRSAVESPAPTTRQPLGTKTLHLVDTSRPDPWKPSAGHRELMVSLWYPALPSRSDRAPYMSAALSKAMLGSEVLSGVRTHAVAGARPAPVARPLVVLSPGFQMSRLTLTALGEDLASRGYAVAALDHTYEAPVEFPGGRVEPCLICEKPDLNAVVRNRAQDIRFLLDRLTGPGGELRVDRHRIAVVGHSIGGASAVETMREDPRVGAAVNLDGDFFLDPPAKGLNRPVLLLGAQRGRDTEDSRGDWERNWPHLTGWKRWLDVPDGGHMTFTDVPWIVDRFGRPAQIPPEQVPGQFGTLGGARATALTRAYVAAFLDRQLRGRPSPLLDRPSTAYPEVTILK,CCOC(=O)/C=C(\C)c1ccc(O)c(OC)c1,CCOC(=O)/C=C(\C)c1ccc(O)c(OC)c1,CCOC(=O)/C=C(\C)c1ccc(O)c(OC)c1>>,public_strict_iteration1_fulltrue_msa,,0.6473829701146199,,s_11303bbb87beaeedd47209d2,test
catpreddb_km_km_5664583177b02c,catpred_iteration1_km,km,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,[Mn+2],[Mn+2],[Mn+2]>>,public_strict_iteration1_fulltrue_msa,,-2.010264471583905,,s_d41fba0c5b340501d312a097,test
catpreddb_km_km_5665a4043775bb,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1870866433571443,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_5668a5a26cb3ec,catpred_iteration1_km,km,P80175,P80175,MKTKAAVLHSAGKPFEIEELELDGPREGEVLIKYTAAGLCHSDLHLIDNDLVPRFPIVGGHEGAGVIEDVGPGVTKVKPGDHVVCSFIPNCGTCRYCATGRSNLCDMGATILDGGMPDGSFRFHRGGTDYGAMCMLGTFSERATISQHSVVKVDDWLPLETAVLVGCGVPTGWASANYAGGVRAGDTCVVYGIGGIGINAVQGAAHAGAANVIAVDPVAFKREKALELGATHAFASADEAAAKVAELTWGQMADQALITVGTVVEQVVTDAFNVIGKGGTVVITGLANPEKLTVHLSGGVMTLFEKTVKGTLFGSANPQYDIVRLLRLYQAGHVKLDELVTKRYSLEEVNEGYQDLRDGKNIRGVIMHSAD,CCC(C)O,CCC(C)O,CCC(C)O>>,public_strict_iteration1_fulltrue_msa,,1.0043213737826426,,s_f32cba546b1c78d43371d9b7,test
catpreddb_km_km_568a5f5ee7b619,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,O=C1C=CC(=O)C=C1,O=C1C=CC(=O)C=C1,O=C1C=CC(=O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-0.1249387366082999,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_569596d9361ca6,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-2.643072598415974,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_56b46bce1eaee6,catpred_iteration1_km,km,A5LHX0,A5LHX0,MFVFCKKIFFLIFISLMILGGCNSDSKHNNSDGNITKNKTIEVYVDRATLPTIQQMTQIINENSNNKKLISWSRYPINDETLLESINGSFFKNRPELIKSLDSMILTNEIKKVIINGNTLWAVDVVNIIKSIEALGKKTEIELNFYDDGSAEYVRLYDFSRLPESEQEYKISLSKDNIQSSINGTQPFDNSIENIYGFSQLYPTTYHMLRADIFETNLPLTSLKRVISNNIKQMKWDYFTTFNSQQKNKFYNFTGFNPEKIKEQYKASPHENFIFIGTNSGTATAEQQIDILTEAKKPDSPIITNSIQGLDLFFKGHPSATYNQQIIDAHNMIEIYNKIPFEALIMTDALPDAVGGMGSSVFFSLPNTVENKFIFYKSDTDIENNALIQVMIELNIVNRNDVKLISDLQ,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_d858f2a019e281adc94b379a,test
catpreddb_km_km_56c34b4105ca4f,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NCCC[C@H](N)C(=O)O,N=C(N)NCCC[C@H](N)C(=O)O,N=C(N)NCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_56cf7be4ab5aee,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.539102157243452,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_56e6993a857dbe,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O=[N+]([O-])c1ccc(OC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(OC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(OC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_56ea9a6c7916af,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_57048e7addf8cc,catpred_iteration1_km,km,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2>>,public_strict_iteration1_fulltrue_msa,,-1.877243666092925,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_km_km_573ea3f1696799,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC[C@H](N)C(=O)O,CC[C@H](N)C(=O)O,CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_5750a76cbedf91,catpred_iteration1_km,km,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_57798a138d8f22,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CCC(=O)C(=O)O,CCC(=O)C(=O)O,CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.625312450961674,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_57829355317eb9,catpred_iteration1_km,km,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.3617278360175928,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_578d1c53611706,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.337242168318426,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_57aead6196ceda,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)[C@@H]1CCC(O)=N1,O=C(O)CN=C(O)[C@@H]1CCC(O)=N1,O=C(O)CN=C(O)[C@@H]1CCC(O)=N1>>,public_strict_iteration1_fulltrue_msa,,-0.5086383061657274,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_57d0305d02f2f5,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_57d181cc738659,catpred_iteration1_km,km,E2CWD2,E2CWD2,MAPKSSTRVPLSVKGPIDCPYEGKEMLNLPQFNRGTAFTAEERDLFNLVGNLPAALQTLQNQVDRAYDQYSSISTALGKNTFLMSLKVQNEVLYFKLLQDHLKEMFSIIYTPTESEAIEHYSRLFRRPEGCFLNINHPEYIERSLAAWGTEEDIDYIIVSDGEEILGIGDQGVGAIGISSAKAVLMTLCAGVHPSRCIPVALDVGTDNEQLLEDELYLGNRHNRVRGGRYDKFVDDFVQCVKKLYPRAVLHFEDFGLPNARRLLDTYRPRLACFNDDVQGTGAVTLAALSSAVRVAGIDFRDLRTVIFGAGTAGTGIADQLRDFLNTQGISKQQVIDHIWLVDKPGLLLKSMHDKLTSAQRPYAASDDRWKEIDTKSLSEIVKKVKPHVLIGCSTKPKAFNEAVLREMAKHVERPIVFPLSNPTRLHEATPAEIFKYTDGKALVATGSPFDPVDGKEIAENNNCFVYPGIGMGSILSRADRVTETMIAAVVKELASLAPSEKDPTGALLPDVADIRDISAKIATAVVLQALEEGTARVEEIEGIKVPRDRDHCLEWVKEQMWQPEYRPLRKV,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.8692317197309761,,s_7575381591ce1f3fb1ab1419,test
catpreddb_km_km_57d8b4762266ca,catpred_iteration1_km,km,Q4A482,Q4A482,GGIAEMSGAEPDVRRITDRLDECGNSTKAFTKGFAVGSAALAGYLLFSSFMEEMSAQLPGKMEFRTVDLAKPEVFTAGLLGAAVVFLFASLAMTAVGRAAQQVVGEVRRQFREHPGIMSGTEKPEYERCVALVATAALRQMVLPGLLPVLAPILIGVVFREIGTLTAQPLLGLECAAGLLMVATITGVLMALFMNNAGGAWDNA,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_f7bf6338fdd5f4f61e73f45a,test
catpreddb_km_km_57db1321ed86e9,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.337242168318426,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_57e64127a1cbb3,catpred_iteration1_km,km,P18159,P18159,MTWRKSYERWKQTEHLDLELKERLIELEGDEQALEDCFYKDLEFGTGGMRGEIGAGTNRMNIYTVRKASAGFAAYISKQGEEAKKRGVVIAYDSRHKSPEFAMEAAKTLATQGIQTYVFDELRPTPELSFAVRQLNAYGGIVVTASHNPPEYNGYKVYGDDGGQLPPKEADIVIEQVNAIENELTITVDEENKLKEKGLIKIIGEDIDKVYTEKLTSISVHPELSEEVDVKVVFTPLHGTANKPVRRGLEALGYKNVTVVKEQELPDSNFSTVTSPNPEEHAAFEYAIKLGEEQNADILIATDPDADRLGIAVKNDQGKYTVLTGNQTGALLLHYLLSEKKKQGILPDNGVVLKTIVTSEIGRAVASSFGLDTIDTLTGFKFIGEKIKEYEASGQYTFQFGYEESYGYLIGDFARDKDAIQAALLAVEVCAFYKKQGMSLYEALINLFNEYGFYREGLKSLTLKGKQGAEQIEAILASFRQNPPQKMAGKQVVTAEDYAVSKRTLLTESKEEAIDLPKSNVLKYFLEDGSWFCLRPSGTEPKVKFYFAVKGSSLEDSEKRLAVLSEDVMKTVDEIVESTAK,O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-3.042864078307759,,s_f483b62b1f5881770da7a251,test
catpreddb_km_km_57f54edbdae58b,catpred_iteration1_km,km,Q70FD1,Q70FD1,MTDYIPTFRFDGHLTIVTGACGGLAEALIKGLLAYGSDIALLDIDQEKTAAKQAEYHKYATEELKLKEVPKMGSYACDISDSDTVHKVFAQVAKDFGKLPLHLVNTAGYCENFPCEDYPAKNAEKMVKVNLLGSLYVSQAFAKPLIKEGIKGASVVLIGSMSGAIVNDPQNQVVYNMSKAGVIHLAKTLACEWAKYNIRVNSLNPGYIYGPLTKNVINGNEELYNRWISGIPQQRMSEPKEYIGAVLYLLSESAASYTTGASLLVDGGFTSW,OC[C@@H](O)C(O)[C@H](O)CO,OC[C@@H](O)C(O)[C@H](O)CO,OC[C@@H](O)C(O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_a843d0660fbde59f70dcb9df,test
catpreddb_km_km_57f6a66a266946,catpred_iteration1_km,km,A8JC04,A8JC04,MALSMKMRANARVVSGRRVAAVAPRVVPFSSASSSVLRSGFAAEVSVDIRRVGRSRIVVEAVKKSVGDLHKADLEGKRVFVRADLNVPLDKATLAITDDTRIRAAVPTLKYLLDNGAKVLLTSHLGRPKGGPEDKYRLTPVVARLSELLGKPVTKVDDCIGPEVEKAVGAMKNGELLLLENVRFYKEEEKNEPEFAKKLAANADLYVNDAFGTAHRAHASTEGVTKFLKPSVAGFLLQKELDYLDGAVSNPKRPFVAIVGGSKVSSKITVIEALMEKCDKIIIGGGMIFTFYKARGLKVGSSLVEDDKIELAKKLEEMAKAKGVQLLLPTDVVVADKFDANANTQTVPITAIPDGWMGLDIGPDSVKTFNDALADAKTVVWNGPMGVFEFPKFANGTVSIANTLAGLTPKGCITIIGGGDSVAAVEQAGVAEKMSHISTGGGASLELLEGKVLPGVAALDEK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4532891574188825,,s_90cbec80030d9ce30a6d37c5,test
catpreddb_km_km_57fec7a67aee13,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,O=P(O)(O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,O=P(O)(O)OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.1038037209559568,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_5813b18f171816,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1ccnc(O)n1,CC(O)=Nc1ccnc(O)n1,CC(O)=Nc1ccnc(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_5832c49ddab5d2,catpred_iteration1_km,km,D4GP40,D4GP40,MVEQAKLSDPNAEYTMRDLSAETIDITNPRGGVRDAEITDVQTTMVDGNYPWILVRVYTDAGVVGTGEAYWGGGDTAIIERMKPFLVGENPLDIDRLYEHLVQKMSGEGSVSGKVISAISGIEIALHDVAGKLLDVPAYQLVGGKYRDEVRVYCDLHTEDEANPQACAEEGVRVVEELGYDAIKFDLDVPSGHEKDRANRHLRNPEIDHKVEIVEAVTEAVGDRADVAFDCHWSFTGGSAKRLASELEDYDVWWLEDPVPPENHDVQKLVTQSTTTPIAVGENVYRKFGQRTLLEPQAVDIIAPDLPRVGGMRETRKIADLADMYYIPVAMHNVSSPIGTMASAQVAAAIPNSLALEYHSYQLGWWEDLVEEDDLIQNGHMEIPEKPGLGLTLDLDAVEAHMVEGETLFDEE,O=C(O)C(O)C(O)C(O)C(O)CO,O=C(O)C(O)C(O)C(O)C(O)CO,O=C(O)C(O)C(O)C(O)C(O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_0b173980928d42e9a131d40f,test
catpreddb_km_km_5837c9ff2be528,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CCCCC(=O)C(=O)O,CCCCC(=O)C(=O)O,CCCCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0170333392987805,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_583d1f5f736570,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC(C)C[C@H](N=C(O)[C@@H]1CCCN1)C(O)=NCC(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](CCCCN)C(=O)O.Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@@H]1CCCN1)C(O)=NCC(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](CCCCN)C(=O)O.Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@@H]1CCCN1)C(O)=NCC(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](CCCCN)C(=O)O.Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_584141fb86b1a8,catpred_iteration1_km,km,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(/C=C/C=O)cc(OC)c1O,COc1cc(/C=C/C=O)cc(OC)c1O,COc1cc(/C=C/C=O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-2.0867160982395814,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_km_km_5846e16c394dc0,catpred_iteration1_km,km,P80175,P80175,MKTKAAVLHSAGKPFEIEELELDGPREGEVLIKYTAAGLCHSDLHLIDNDLVPRFPIVGGHEGAGVIEDVGPGVTKVKPGDHVVCSFIPNCGTCRYCATGRSNLCDMGATILDGGMPDGSFRFHRGGTDYGAMCMLGTFSERATISQHSVVKVDDWLPLETAVLVGCGVPTGWASANYAGGVRAGDTCVVYGIGGIGINAVQGAAHAGAANVIAVDPVAFKREKALELGATHAFASADEAAAKVAELTWGQMADQALITVGTVVEQVVTDAFNVIGKGGTVVITGLANPEKLTVHLSGGVMTLFEKTVKGTLFGSANPQYDIVRLLRLYQAGHVKLDELVTKRYSLEEVNEGYQDLRDGKNIRGVIMHSAD,CC(C)O,CC(C)O,CC(C)O>>,public_strict_iteration1_fulltrue_msa,,1.1271047983648077,,s_f32cba546b1c78d43371d9b7,test
catpreddb_km_km_584ddadd8fc753,catpred_iteration1_km,km,O59869,O59869,MRTSVVITFLAAALTVMAKPHAKPDPNFHIYLALGQSNMEGQGNVEAQDRVEDKRFKLISTADECMGRELGEWYPALPPIVNCYGNLGPVDYFGRTLTKKLPKEVKVGVCAVAVAGCDIQLFEEENYKSYEIPDWMQGRIDHYGGNPFRRLVNIAKKAQKAGVIKGILLHQGETNNGQEDWPKRIKVVYERLLKELNLKAEEVPLLAGEVVREEYEGMCSLHNTVIKKLPEVIPTAHVISAEGLDDGGDDLHFSSASYRILGERYADKMLELLKKPAKPADKPQKPQKPAKSEDEQVVSDVEAADEVDSADEE,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_83061f82b3d9f7abd60b1469,test
catpreddb_km_km_585920971f2e44,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_585fd21513a034,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.9746941347352296,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_586943a929c68b,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.6757224221686646,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_58736c5b1f2ec3,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.2441251443275085,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_58b06cf72b88bd,catpred_iteration1_km,km,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.0601619054282649,,s_205b4fb49279b335382e3627,test
catpreddb_km_km_58c000502c2e66,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.5185139398778875,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_58c474620e7dac,catpred_iteration1_km,km,Q70LF5,Q70LF5,MARRSSGPAWPEVARVRRRACRLGRAGARRRRRGLRAGVAGRDAVAGSVPSIPATEFPRSRGKEHGVSEKTSGAYSANGGFPWSNAMLQWQRTGFHFQPDKYYQNDPNGPVYYGGWYHFFYQYNPSGSVWEPQIVWGHAVSKDLIHWRHLPPALVPDQWYDIKGVLTGSITVLPDGKVIPLYTGNTETFAQVTCLAEPADPSDPLLREWVKHPANPVVFPPPGIGMKDFRDPTTAWFDASDGTWRTIIGSKNDSDHSGIVFSYKTKDFVSYELMPGYMYRGPKGTGEYECIDLYAVGGGSRASDMYNSTAEDVLYVLKESSDDDRHDWYSLGRFDAAANKWTPIDDELELGVGLRYDRGKYYASKSFYDPVKKRRVVWACVGETDSERADITKGWANLQSIPRTVELDEKTRTNLIQWPVEELDTLRINTTDLSGITVGAGSVVPLHLHQTAQLDTEATFHIDASAIEAVNEADVSYNCTTSSGAATRGALGPFGLLVLANRALTEQTGVYFYLSKGLDGALRTHFCHDELRSSHASDVVKRVVGSTVPVLDGEDFSVRVLVDHSSVQSFAMGGRLTTTSRAYPTEAIYAAAGVYLFNNATGTSVTAEKLIVHDMDSSYNHIYTDDDLVVVG,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.3010299956639813,,s_2aa4a6d003c23aec9cce6b01,test
catpreddb_km_km_58c7571202f309,catpred_iteration1_km,km,B4Y0U1,B4Y0U1,MASLNKHIKIHEQCKVSPSSSSTQLSLPLTFFDYIWLRFHPVERIFFYTLPSSHSHPTFFFENLVPKLKSSLSLTLQHFLPLAGNIVWPSDSPKPFLQFNPNDDGVSLLLAQCDDDDVSFDKILEHNSPQEASLSRSFVPHLESSDSFASIISIQITLFPKNGFSIGISTHHAVLDGKSSTMFIKAWSSICKSLEEETQSLNLEPLLEPFLERELIEDPNDFENSFINTWNRISSHFDKSSVKSIKIMSSMFQPIIKDAVRETFELTREDLEKINKRVFSKWNNIEDGAQEKEQEQPKKLSTFVLTCAYVSVCIAKAIQQSESDKKQKFSIGFPVDCRSRLVPPIPKNYCGNCVSNHIVDTEPYDFTKEDGVVIVAKKIYGKTQEMDKGFLDGIETMMYKYMAMIGEGVKGIGVAGSTRFGVYEIDFGFGRPAKVEITSIDRGLTIGLTESKDLKGGVEIGLVLEKHVMDLFQAIFREGLCFD,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2565686348533164,,s_e2910705b7cf72407b0b94ac,test
catpreddb_km_km_58cd85b751c922,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C>>,public_strict_iteration1_fulltrue_msa,,-1.619788758288394,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_58f3acaf01284c,catpred_iteration1_km,km,P00366,P00366,MYRYLGEALLLSRAGPAALGSASADSAALLGWARGQPAAAPQPGLVPPARRHYSEAAADREDDPNFFKMVEGFFDRGASIVEDKLVEDLKTRETEEQKRNRVRSILRIIKPCNHVLSLSFPIRRDDGSWEVIEGYRAQHSQHRTPCKGGIRYSTDVSVDEVKALASLMTYKCAVVDVPFGGAKAGVKINPKNYTDNELEKITRRFTMELAKKGFIGPGVDVPAPDMSTGEREMSWIADTYASTIGHYDINAHACVTGKPISQGGIHGRISATGRGVFHGIENFINEASYMSILGMTPGFGDKTFVVQGFGNVGLHSMRYLHRFGAKCITVGESDGSIWNPDGIDPKELEDFKLQHGTILGFPKAKIYEGSILEVDCDILIPAASEKQLTKSNAPRVKAKIIAEGANGPTTPEADKIFLERNIMVIPDLYLNAGGVTVSYFEWLNNLNHVSYGRLTFKYERDSNYHLLMSVQESLERKFGKHGGTIPIVPTAEFQDRISGASEKDIVHSGLAYTMERSARQIMRTAMKYNLGLDLRTAAYVNAIEKVFRVYNEAGVTFT,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.5515531932339595,,s_863067971e96600ee73ae55f,test
catpreddb_km_km_5912d1da935723,catpred_iteration1_km,km,B3EWG9,B3EWG9,DINGGGATLPQKLYQTSGVLTAGFAPYIGVGSGNGKAAFLTNDYTKLTATELSTYATNLQPTWGKLIQVPSVATSVAIPFRITDWSGISGAGRTGPITVVYRITYMSPDFAASTLAGLDDATKGVSPAPSNVSDAIAQVLPPNDPSAPLDVTNPDDGVAGVQPYPDSGYPILGFTNLIFSAFFTKAFFTKHFGDTNNNDDAITANRFVPLPDNWKTELSTYATNLQPTWGK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.8124792791635369,,s_be8da76499c310b27fecdace,test
catpreddb_km_km_5941e8952e017c,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C,CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.5686362358410126,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_595ba1127517f3,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CCCCCOC(O)=Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,CCCCCOC(O)=Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,CCCCCOC(O)=Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_5961dd12cdfdd4,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_596d40a800cd1d,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CCCCCCCC(=O)O,CCCCCCCC(=O)O,CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.424968492972864,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_5971803c5316ed,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCC1CCCC(=O)O1,CCCCC1CCCC(=O)O1,CCCCC1CCCC(=O)O1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_5981e21052efc2,catpred_iteration1_km,km,C4PKL4,C4PKL4,MSIWRGSLPLFLLLLAAATAEPASMLEGPSGPVTVLLQEDRGHAVDLPDTDPRVQRRVTGWAPEQIAVALSAAPTSAWVSWITGDFQMGGAVKPLDPGTVGSVVRYGLAADSVVREATGDALVYSQLYPFEGLQNYTSGIIHHVRLQGLEPGTKYYYQCGDPAIPGAMSAVHAFRTMPAVGPRSYPGRIAVVGDLGLTYNTTSTVEHMASNQPDLVLLVGDVSYANLYLTNGTGTDCYSCSFAKSTPIHETYQPRWDYWGRYMEPVTSSTPMMVVEGNHEIEQQIGNKTFAAYSARFAFPSKESESFSPFYYSFDVGGIHFIMLAAYANYSKSGDQYRWLEKDLAKVDRSVTPWLVAGWHAPWYSTYKAHYREAECMRVAMEELLYSYGIDIVFTGHVHAYERSNRVFNYTLDPCGAVHISVGDGGNREKMATTHADEPGRCPEPLSTPDDFMGGFCAFNFTSGPAAGSFCWDRQPDYSAYRESSFGHGILEVKNETHALWKWHRNQDLYQGAVGDEIYIVREPGRCLLSSSIAAYF,O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O,O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O,O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]2OP(=O)(O)OP(=O)(O)O[C@H]2[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.337242168318426,,s_072f9975261859a30e78e811,test
catpreddb_km_km_5997d6627ac541,catpred_iteration1_km,km,S4UF58,S4UF58,MPLDLPSLLSQSSCDRPLSAIRGLLPLESRPGVISLLAGKPNPSGFPFDSITLRLKPSVEGSKDAQGNPVEITIDGSELERILQYGSTNGDVTLERELTKLISRVHHRTRNNGQPDGDFALAIGSGSQDLLYKTISILFNPQDTVLVESPVYPGFLPELETHRVKAVGISTDEQGLSAQALRDTLKNWHTSDTTKELRFPKALYTVPTGANPAGTTASTERKREILAIAREYGLLVLEDDPYYFLTFEDMSEDALQQKRALSYFALEREDADKWGYGYVLRFESFSKILSAGMRVGFMVGPPTLVNAVVALTASSNLHTSGPAQAMAGELMQYWGTDGFLRHTHNVARMYKERRDMFGRIIDTILGRGEDGKQTPIATYVTPVAGMFYWIKLHLPPTDGAPEGDSYRVISEKALEFGVLAMPGGAFFADKRKTPYVRTSFSLIEPQDAHEAILRLRRAVESAWKDAGYDEIPAMQT,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8450980400142568,,s_ec7834c38c8370f00ef57014,test
catpreddb_km_km_59b9d42fb380a6,catpred_iteration1_km,km,P37666,P37666,MKPSVILYKALPDDLLQRLQEHFTVHQVANLSPQTVEQNAAIFAEAEGLLGSNENVNAALLEKMPKLRATSTISVGYDNFDVDALTARKILLMHTPTVLTETVADTLMALVLSTARRVVEVAERVKAGEWTASIGPDWYGTDVHHKTLGIVGMGRIGMALAQRAHFGFNMPILYNARRHHKEAEERFNARYCDLDTLLQESDFVCLILPLTDETHHLFGAEQFAKMKSSAIFINAGRGPVVDENALIAALQKGEIHAAGLDVFEQEPLSVDSPLLSMANVVAVPHIGSATHETRYGMAACAVDNLIDALQGKVEKNCVNPHVAD,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8195439355418687,,s_d75c553801007e38e2c3b60c,test
catpreddb_km_km_59bbda99ef5480,catpred_iteration1_km,km,A0A168S2B8,A0A168S2B8,MESGGMSKNSTLICVPIMGETIEKMVVDMSKAKTSGADLVEVRLDTLKRFNPRQDLEVLIRKCPLPTLFTYRPKWEGGQYEGDENSRRDALRLAMELGADYVDIELKVAHEFINSIHGRKPEKFKVIVSSHNYQNTPSVEDLGNLVVSIQATGADIVKIATTALEITDVARIFQITVHSQVPVIGLVMGERGLISRILCPKFSGYLTFGSLEPGIVSAPGQPTIKDLLNLYNFRQLGPDTKVFGVIGKPVSHSKSPHLYNEAFKSVGFNGVYVHLLVDDIAKFFHTYSAADFAGFSCTIPHKEAALKCCDEVSPVAKSIGAVNCIIRRPSDGKLFGYNTDYVGAISAIEDGLRDLHKISSTSGSPLAGKLFVVIGAGGAGKALAYGAKEKGARVVIANRTYARARELADAVGGDALSLADLNNFHPENGMILANTTSIGMQPKVDETPISKHALKYYSLVFDAIYTPKITRLLREAQESGATIVTGLEMFIGQAYEQFERFTGLPAPKELFKQFISNLQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6635402661514705,,s_ea17a99ea775fd120e8e6609,test
catpreddb_km_km_59c30822693d22,catpred_iteration1_km,km,E8MF13,E8MF13,MTSTGRFTLPSEENFAEKTKELAELWGADAIRNSDGTHLDEAVLALGKKIYNAYFPTRAHNEWITLHMDETPQVYLLTDRILAESDTVDIPLMESFFAEQLKPNRDADPHKYWEVVDRTTGEVVDSANWTLDADEDTVHVSGVAAWHEYTVSFLAYIIWDPVEMYNHLTNDWGDKEHEIPFDIYHPATRKFVFDTFEQWLKDSPQTDVVRFTTFFYQFTLLFDEKRREKVVDWFGCACTVSPRALDDFEAKYGYRLRPEDFVDGGAYNSAWRVPRKAQRDWIDFLSGFVRENVKQLADMSHAAGKEAMMFLGDQWIGTEPYKDGFDELGLDAVVGSIGDGTTTRMIADIPGVKYTEGRFLPYFFPDTFYEGNDPSIEGLDNWRKARRAILRSPISRMGYGGYLSLAAKFPKFVDTVTHIANEFRDIHDRTGGVAAEGELNVAILNSWGKMRSWMAFTVAHALPNKQTYSYYGILESLSGMRVNVRFISFDDVLAHGIDSDIDVIINGGPVDTAFTGGDVWTNPKLVETVRAWVRGGGAFVGVGEPSSAPRFQTGRFFQLADVIGVDEERYQTLSVDKYFPPVVPDHFITADVPVDPAAREAWEQAGYRIPLSGCGGGQSIKPLGGIDFGEPVLNTYPVNENVTLLRADGGQVQLATNDYGKGRGVYISGLPYSAANARLLERVLFYASHNEDKYAAWSSSNPECEVAHFPEQGLYCVINNTDQPQKTTVTLADGTTEDFDLPDSGIAWREA,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2355284469075489,,s_28331dccad3aff757c897b72,test
catpreddb_km_km_59ccf56fbdb631,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,Oc1cccc2cccnc12,Oc1cccc2cccnc12,Oc1cccc2cccnc12>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_59e4e43d1f297d,catpred_iteration1_km,km,P93882,P93882,SVGFKAGVKDYKLTYYTPDYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVAGEESQFIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPTAYVKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEAIYKAQAETGEIKGHYLNATAGTCEEMIKRAVFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHAGTVVGKLEGEREITLGFVDLLRDDFVEKDRSRGIYFTQDWVSLPGVLPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAREGNQIIREASKWSPELAAACEVWKE,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O,CC(C)[C@H](C(=O)O)[C@@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.4559319556497243,,s_5723a83d1ad2206abc02e49d,test
catpreddb_km_km_59e925ced54b6d,catpred_iteration1_km,km,A0A228BX09,A0A228BX09,MPPPPEVSPVTGNPVSPHYIHSSTLHFQDVNGRSLVLRGVNLSGSAKHPNNQPSHIREGFWETAEAGKGDFINKPLNLDDGSADLHLARLKAWGYNLLRYVFTWESLEHAGPKEYDYAYMDYIIAVLRKCKEWGFRVFMDPHQDVWSRFTGGSGAPLWTLYACGIDPYHLTATAAAYLHCEWPSAESPKPQDFPAMIWGTNYTHLANQTIWTFFFAGKTYAPKCIIDGKNIQDFLQDHFIDAVGELAKRIAEEAGDLLDECVIGWDSINEPGEGLIGCKDLAVIPAEQQLKKGPSPTPIEGMRLGMGEAQDVQAWNFGPMGPYRGSRQTIDPKGVKLWLSKEDDVKRGSGKWGWTRGKEWALGTCIWAHHGVWEIATSTLLRPDYFSTLPTNPGHQVDFVDDFWALHWLAYSSRIRLHHPESIHFIQAPVLRQPPKLPESFLKGRACSSPHFYDGLTLMTKHWNWFNADAIGVIRKKYWSIVQAVRIGEGPIRKMIQGELAVLKQDTIDILGNYPTLVGEIGIPYDMDDKKAYGYVDGGRGEGDYSSQQKAMDCSMNACDGPNCLNYAIWNYVPDNVHEWGDNWNGEDLSLWSVDDKEQESYHDSPRSDTPNFSTNSNSLTNSSATLTVPMSGASKLRPSPSVIDSGDFSPTLILDGSRAVAAFCRPYPVATVGIPERIDFDITSTKFKYAVRVRADDIANEQVYTEIYLPFVHYAASLNASRSAGHNPNLGQTTSTSADGDDSTVSSRQTSKVDLIEDERAIKSSDPSSVSIRSVPYSSFAQLSLDVTIVASHGRVEIQGQTLRWWYPVPGTGEEVYTIEVQRNGGALRRDLGYVQQGNFLDVCPECVIA,O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1,O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1,O=c1ccc2nc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3oc-2c1>>,public_strict_iteration1_fulltrue_msa,,-1.360513510731414,,s_d2a6244868eea8688e269a0b,test
catpreddb_km_km_59fb5dc97a21d8,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(=N)nc4O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(=N)nc4O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4ccc(=N)nc4O)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.3188530310178843,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_5a1595c7a9da4f,catpred_iteration1_km,km,Q82IY9,Q82IY9,MHLQPSTAVVTGAASGIGFALSARLAQAGARVVMTDIAGDGLAGAVEELAAHGADVTAVVADLTDPAAVQELADTAFGRLGDIDVVCNNAGVVGPVGMPLWSVPLDEMHAVFDVNYWAHVHVARAFVPRLLDSGRPSHLVQTASMSAFVVGAGTASYAASKHADLAAARSLRADLDGTPVRVSVLCPGRVDTPMTRGLVAPRNATGNTTISADEAADAVWNALGSDRFYIFTNADAQTRLGDQFNDVWRHLAREKYWTESSSPSVNSSRP,C[C@@H]1[C@H](O)C[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]312,C[C@@H]1[C@H](O)C[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]312,C[C@@H]1[C@H](O)C[C@H]2C(C(=O)O)=C[C@@H]3CC(C)(C)C[C@]312>>,public_strict_iteration1_fulltrue_msa,,-2.1870866433571443,,s_5373a2227c41c71e92fa3489,test
catpreddb_km_km_5a2f4e348aefd0,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_5a36368c7e9153,catpred_iteration1_km,km,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,CCCCBr,CCCCBr,CCCCBr>>,public_strict_iteration1_fulltrue_msa,,0.8195439355418687,,s_e220e6dd4311615191e3744b,test
catpreddb_km_km_5a4009644e34e7,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,NCC(O)=N[C@H](CC(=O)O)C(=O)O,NCC(O)=N[C@H](CC(=O)O)C(=O)O,NCC(O)=N[C@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.155336037465062,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_5a5eda8fb2ffdf,catpred_iteration1_km,km,Q96EN8,Q96EN8,MAGAAAESGRELWTFAGSRDPSAPRLAYGYGPGSLRELRAREFSRLAGTVYLDHAGATLFSQSQLESFTSDLMENTYGNPHSQNISSKLTHDTVEQVRYRILAHFHTTAEDYTVIFTAGSTAALKLVAEAFPWVSQGPESSGSRFCYLTDSHTSVVGMRNVTMAINVISTPVRPEDLWSAEERSASASNPDCQLPHLFCYPAQSNFSGVRYPLSWIEEVKSGRLHPVSTPGKWFVLLDAASYVSTSPLDLSAHQADFVPISFYKIFGFPTGLGALLVHNRAAPLLRKTYFGGGTASAYLAGEDFYIPRQSVAQRFEDGTISFLDVIALKHGFDTLERLTGGMENIKQHTFTLAQYTYVALSSLQYPNGAPVVRIYSDSEFSSPEVQGPIINFNVLDDKGNIIGYSQVDKMASLYNIHLRTGCFCNTGACQRHLGISNEMVRKHFQAGHVCGDNMDLIDGQPTGSVRISFGYMSTLDDVQAFLRFIIDTRLHSSGDWPVPQAHADTGETGAPSADSQADVIPAVMGRRSLSPQEDALTGSRVWNNSSTVNAVPVAPPVCDVARTQPTPSEKAAGVLEGALGPHVVTNLYLYPIKSCAAFEVTRWPVGNQGLLYDRSWMVVNHNGVCLSQKQEPRLCLIQPFIDLRQRIMVIKAKGMEPIEVPLEENSERTQIRQSRVCADRVSTYDCGEKISSWLSTFFGRPCHLIKQSSNSQRNAKKKHGKDQLPGTMATLSLVNEAQYLLINTSSILELHRQLNTSDENGKEELFSLKDLSLRFRANIIINGKRAFEEEKWDEISIGSLRFQVLGPCHRCQMICIDQQTGQRNQHVFQKLSESRETKVNFGMYLMHASLDLSSPCFLSVGSQVLPVLKENVEGHDLPASEKHQDVTS,N/C(=N\O)c1ccccc1,N/C(=N\O)c1ccccc1,N/C(=N\O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_fad1c1fc59d520ae1fd11e2a,test
catpreddb_km_km_5a67f61e8c6143,catpred_iteration1_km,km,Q9M1W4,Q9M1W4,MTGNSFNSMKDFLKQTGGYAVIDGGLATEFERHGADLNDPLWSAKCLVTSPHLIHTVHLDYLEAGADIISSASYQATIQGFEAKGFSREESESLLKKSVEIATEARNSYYDKCGTSSSMDDKILKKRPILVAASVGSYGAYLADGSEYSGIYGDSITLEKLKDFHRRRLQVLAESGADLIAFETIPNKIEAQAFADLLEEGDVKIPGWFSFNSKDGVNVVSGDSIKECISIAENCEKVVAVGINCTPPRFIEGLVLEIEKVTSKPILVYPNSGESYDADRKEWVENTGVGDEDFVSYVEKWMDAGVSLLGGCCRTTPTTIRAIHKRLVNRRSL,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6478174818886375,,s_78d8427694ba2a5941cb1004,test
catpreddb_km_km_5a779192c2dbd6,catpred_iteration1_km,km,Q2KIG5,Q2KIG5,MEVLGLFRLEVSGPMVTVALSVVFLALLKWYSTSAFSRLEKLGIRHPKPSPFIGNLAFFRQGFWESHMELRKQYGPLSGYYLGRLMFIVISEPDMIEQVLVEKFSNFTNRMATGLEPKPVADSVLFLRDKRWEEVRSVLTVAFSPEKLSEMTPLISRACDVLLAHLERHAQSGEAFDIQRTYCCYTTDVVASVAFGTEVNSQEAPEHPFVEHCRRFFASSIPKPLLVLLLSFPSIMVPLARILPNKNRDELNGFFNKLIRNVIALRDQQAAEERRRDFLQMVQDVRHSAATVGVEKFDIVRQVFSATKCPANPPRRHSPRPLSKPLSVDEVVGQAFIFLIAGYEIVTNTLSFATYLLATNPECQEKLLEEVDCFSKEHLAPEYCSLQEGLPYLDMVIKETLRMYPPAFRFTRVAAQDCEVLGQRIPAGAVLETAVGALHYDPEHWPNPENFNPERFTAEAQQRRRPYTYLPFGAGPRSCLGVRLGLLELKLTLLHILRKFRFEACPETQVPLQLESKSALGPKNGVYIRIVSR,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2,CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2>>,public_strict_iteration1_fulltrue_msa,,-2.487347067367615,,s_af89df84301bd99ec5543f91,test
catpreddb_km_km_5a7d9954116ca6,catpred_iteration1_km,km,O58762,O58762,MMYEVKEFSSGKRKLEDYKSIIGEEEVSKIQEKAEKLKGRSFVHVNSTSFGGGVAEILHSLVPLLRSIGIEARWFVIEGPTEFFNVTKTFHNALQGNESLKLTEEMKELYLNVNRENSKFIDLSSFDYVLVHDPQPAALIEFYEKKSPWLWRCHIDLSSPNREFWEFLRRFVEKYDRYIFHLPEYVQPELDRNKAVIMPPSIDPLSEKNVELKQTEILRILERFDVDPEKPIITQVSRFDPWKGIFDVIEIYRKVKEKIPGVQLLLVGVMAHDDPEGWIYFEKTLRKIGEDYDVKVLTNLIGVHAREVNAFQRASDVILQMSIREGFGLTVTEAMWKGKPVIGRAVGGIKFQIVDGETGFLVRDANEAVEKVLYLLKHPEVSKEMGAKAKERVRKNFIITKHMERYLDILNSLGG,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.1038037209559568,,s_b56cd5fa27e9ce7ce979b00d,test
catpreddb_km_km_5aa197dbb65b1d,catpred_iteration1_km,km,F9W8I6,F9W8I6,MSAAVATVKLHNSFVPTSYDLHVSVDLASWRYDGRETIVLQRLSSVEPSKEIQLHYSKTMSIHEVTGAVVVDRNPEAGTLKLQLCGEPVERHTLTFSFTQEIREEMRGLYRVCFKTEDGVEHRMAATHFEPTAARYFYICQDEPAARADFTLRVTLPRSMEGYTVLSNGPLRTKEVCADGVTHCFDTVPAVPTYLTSCFVGELEHIDTTACGIPVRVYTVVGKVHRAGFALKTTAFALEYFEKFFDCKYPLPKLDVVAVPDFPIGGMENWGCIACVEAILVDEQTSSVGALKSAAELLCHEVSHNWFGNLVTVSWWDGLWLKEGFASWCGYNATHHLQPSWRCDEDANAGVASALVSDMYEHSHPVEVPIHDPAEIAQIFDAISYNKGMGLVHMLEAFLGDKWSASVAHYIKKYRYGDTRTTQLWQALEEASGVPLTEAMESFTTQMGFPMIHVSRPSANVIVLRQEPCQFVSAAERRKTQWCIPVVLEGAGGVSHRVELRGLEEQRVELPPALAQSSWINANPRRRGFFRCRYDDNSFSAILGAYTSLGASDRCGLITDTLASVYMGSDDMERLSILRSVLTEREPNGSVWREYYNSVSDLLSFLEDGNVHRELLRNLLFQVDVIATKLLEREPTTVEERLQRAFFVNASVATSLSCLSAADARAVPTVQWVLKEADAYLEGKPHAADTLTASLSAYVRLGPGDAATRLQTLWGRFVGADDNVELCRSLLRALCHAEDADFVEGVAKRCIYNDGIRSQYGGVIFAAIATNPLLPRGWLWSLFKKHFEGIDKQWGCGTFRIQSIVEAVGSTLTSDAHADDFEGFFRLHPLPHARLAVHRAVERIRLNAWLQRQWGGPKLSYLFFPR,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.4828041020500258,,s_8b6d15dcee2ed527715ea463,test
catpreddb_km_km_5aa2bc432cdb0b,catpred_iteration1_km,km,Q70WQ8,Q70WQ8,MGLILWLEEITKKDHALVGGKGANLGEVSRLVRVPPGFVVTTEAFRAFLETTGLKSKISEVLKSVRGGSPEDYEKASETIREMIYREPMPREIADEIVRAYLKLSEKVGVKDVSVAVRSSATAEDIQEASFAGQQDTYLNVRGSENVIEHVKRVWASLYTARAIYYREQMGISHDNVSIAVVVQKLVNARSAGVMFTLDPTNGDTSKVVIEAAWGLGEGVVRGIVTPDEYVVDKNTLKIVERRISQKRLAVVRDERGLTKEVELPPEKSGAPALTDEEVIEYAKMALELERHYGHPLDIEFSVDSDVPFPQNLYVVQVRPETVWSRRAQPAEAKEAKAEGRVVVKGIAASPGVAVGRAKICLTLEDAKRKLQKGDILVTKMTDPDWVPYMRLASAIVTDEGGRTSHAAIVSRELGIPAVVGTGNATQVLRDGELYTVDGSKGVVLEGAAVQPQAKVAEAAQAAIAVPKEIILHIYRSIPTGTKVYMNLGEPDKIDEYKDLPFEGIGLMRIEFVITSWIGEHPLYLMSIGREDKFVDKMAEGVARVASAIYPRPVVVRFSDFKTNEYRSLQGGEKFEPEERNPMLGWRGVSRYVSLQYEKAFRLELRAIKKVREEMGLTNVWVMAPFVRTTWEAERFNRLLEEEGLVRDRDFKVWAMAEVPSVAFLVEEFAPYFDGFSIGSNDLTQLTLGVDRDNDFLVRINPKYFDEREMPVLKAIYELIQRAHRVGKTVSICGQGPSVYPQLVEFLVRAGIDSISVNPDAVLNTRILVASVEMKLLRERLDAIYRALYKVGDDEEFREIIKKVFGGLKY,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_410014a7bc89fe2e3625d9a2,test
catpreddb_km_km_5aace5d72cb119,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.2405492482825997,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_5aae667dd2a2ec,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_5ab00b4f11289d,catpred_iteration1_km,km,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.276461804173244,,s_948648651b98b58a650dd2ca,test
catpreddb_km_km_5ab63f5a997b8a,catpred_iteration1_km,km,Q9C544,Q9C544,MEAKLLKPAFYNSPNLNLTNSSRLISRLSIWNDKSKVGLSSGSLFLRLSAASPIRYSRGLLRVDESEYLKLESIRHSLIRQEDSIIFNLLERAQYRYNADTYDEDAFTMEGFQGSLVEFMVRETEKLHAKVDRYKSPDEHPFFPQCLPEPILPPIQYPQVLHRCAESININKKVWNMYFKHLLPRLVKPGDDGNCGSAALCDTMCLQILSKRIHFGKFVAEAKFRENPAAYETAIKEQDRTQLMQLLTYETVEEVVKKRVEIKARIFGQDITINDPETEADPSYKIQPSLVAKLYGERIMPLTKEVQIEYLLRRLD,C=C(OC1C=C(C(=O)O)C=CC1O)C(=O)O,C=C(OC1C=C(C(=O)O)C=CC1O)C(=O)O,C=C(OC1C=C(C(=O)O)C=CC1O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3767507096020995,,s_d03ae50739ce01031c221447,test
catpreddb_km_km_5abea1ca488889,catpred_iteration1_km,km,B6E9W4,B6E9W4,MTTGDKAKPQSTPASGDIDQQALFFHRYPRPGKLEIQPTKPLGNQRDLALAYSPGVAAPCLAIKDDPESAADFTARSNLVAVVSNGTAVLGLGNIGPLASKPVMEGKAVLFKKFAGIDVFDIEIDAPTVERMVDVVSALEPTFGGINLEDIKAPECFEVERQLREKMEIPVFHDDQHGTAIIVAAAVLNGLELAGKDITKAKIVASGAGAAALACLNLLVTLGAKRENIWVHDLEGLVYKGREVLMDEWKAVYAQDSANRVLADSIGGADVFLGLSAAGVLKPELLAQMAEKPLIMALANPTPEIMPEVARAARPDAMICTGRSDFPNQVNNVLCFPHIFRGALDCGARTINEEMKMAAVRAIAGLAREEPSDVAARAYSGETPVFGPDYLIPSPFDQRLILRIAPAVAKAAAESGVATRPIQDFDAYLDKLNRFVFRSGFIMKPVFAAAKNAPKNRVIFAEGEDERVLRAAQVLLEEGTAKPILIGRPQIIETRLRRYGLRIRPDVDFEVVNPEGDPRYRDYVDEYFALVGRLGVIPEAARTIVRTNTTVIGALAVKRGEADALICGVEGRYSRHLRDVSQIIGKKPGVLDFSALSLLISQRGATFFTDTYVSYNPSAEEIAQTTVMAAGEIRRFGITPHAALVSHSNFGSRESESAAKMRAALKLVRELAPDLEVDGEMHGDAAISETLRERVMPNSTLKGEANLLVFPNLDAANITLGVVKTMTDSLHVGPILLGSALPAHILSPSVTSRGVVNMAALAVVEASHPA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.3222192947339193,,s_790e3b8aa3d58c531675d543,test
catpreddb_km_km_5ac009536893d0,catpred_iteration1_km,km,C8CJG6,C8CJG6,MFYMTAQDYSVFDVVVVGSGAAGMVAALTAAHQGLSTVVVEKAPHYGGSTARSGGGVWIPNNEVLQRDGVKDTAAEARKYLHAIIGDVVPAEKIDTYLDRSPEMLSFVLKNSPLKLCWVPGYSDHYPETPGGKATGRSVEPKPFNAKKLGPDEKGLEPPYGKVPLNMVVLQQDYVRLNQLKRHPRGVLRSIKVGVRSVWANATGKNLVGMGRALIAPLRIGLQKAGVPVLLNTALTDLYIEDGVVRGIYVREAGAPESAEPKLIRARRGVILGSGGFEHNQEMRTKYQRQPITTEWTVGAVANTGDGILAAEKLGAALELMEDAWWGPTVPLEGAPWFALSERNSPGSIIVNMNGKRFMNESMPYVEACHHMYGGQYGQGAGPGENVPAWMIFDQQYRDRYIFAGLQPGQRIPKKWMESGIIVKADSLAELAEKTGVAADALKATIERFNGFARSGVDEDFHRGESAYDRYYGDPTNKPNPNLGEIKHGPFYAAKMVPGDLGTKGGIRTDVHGRALRDDNSVIEGLYAAGNVSSPVMGHTYPGPGGTIGPAMTFGYLAALHLAGKA,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_b5ac5daf98080f0adc396a85,test
catpreddb_km_km_5ae70597fcb31b,catpred_iteration1_km,km,Q868I5,Q868I5,MQNHSFLGKTVLITGGCGFIGSHFVEACHVLGMTVYVLDNLSSGKNVFKTTSDCSSSLVYTIGDIRDKAIFSRLPQKIDFVIHLAAAVSVAESVTNPQKYMLTNVEGSRNVFQYAVDAKASAVLSASTAAYYGDCGKSAITEAFPYGGISPYAESKMEMERLGAEFQKTSRCRFIFCRFFNVYGPRQDPSSPYTGVMSIFMDRCAARKPITIFGTGEQTRDFVFIKDLIVAAINLLGQLDKFPIGADAVQQNDPEEVQRSAYTGEGVYPTVFNIGSGISISVNELAELAKIVSGRHEVEIVHGEPRSGDILHSLSDCTRIRNATGWSASTTLRVGMSETWGWAAGEISYLSGDLVRVLENELKIDGVSVAKSLCGKDADVKGIGL,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0863598306747482,,s_29be0c59fec29aea5f25c10f,test
catpreddb_km_km_5aed055ad5e1e3,catpred_iteration1_km,km,Q9LDV4,Q9LDV4,MRRFLINQAKGLVDHSRRQHHHKSPSFLSPQPRPLASSPPALSRFFSSTSEMSASDSTSSLPVTLDSINPKVLKCEYAVRGEIVNIAQKLQEDLKTNKDAYPFDEIIYCNIGNPQSLGQLPIKFFREVLALCDHASLLDESETHGLFSTDSIDRAWRILDHIPGRATGAYSHSQGIKGLRDVIAAGIEARDGFPADPNDIFLTDGASPAVHMMMQLLLSSEKDGILSPIPQYPLYSASIALHGGSLVPYYLDEATGWGLEISDLKKQLEEARSKGISVRALVVINPGNPTGQVLAEENQRDIVNFCKQEGLVLLADEVYQENVYVPDKKFHSFKKVARSLGYGEKDISLVSFQSVSKGYYGECGKRGGYMEVTGFTSDVREQIYKMASVNLCSNISGQILASLVMSPPKPGDDSYDSYMAERDGILSSMAKRAKTLEDALNSLEGVTCNRAEGAMYLFPRINLPQKAIEAAEAEKTAPDAFYCKRLLNATGVVVVPGSGFGQVPGTWHFRCTILPQEDKIPAIVNRLTEFHKSFMDEFRN,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_66aaf18e02944085544f36fc,test
catpreddb_km_km_5af2f3837cce4e,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.0915149811213505,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_5af31606f1f5fa,catpred_iteration1_km,km,P23711,P23711,MSSEVETSEGVDESENNSTAPEKENHTKMADLSELLKEGTKEAHDRAENTQFVKDFLKGNIKKELFKLATTALYFTYSALEEEMDRNKDHPAFAPLYFPTELHRKEALIKDMEYFFGENWEEQVKCSEAAQKYVDRIHYVGQNEPELLVAHAYTRYMGDLSGGQVLKKVAQRALKLPSTGEGTQFYLFEHVDNAQQFKQFYRARMNALDLSMKTKERIVEEANKAFEYNMQIFSELDQAGSMLTKETLEDGLPVHDGKGDVRKCPFYAAQPDKGTLGGSNCPFRTAMAVLRKPSLQLILAASVALVAGLLAWYYM,C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[n-]2)c(C)c5C=C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.O.[Fe+3],C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[n-]2)c(C)c5C=C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.O.[Fe+3],C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[n-]2)c(C)c5C=C)C(C)=C4CCC(=O)[O-])C(CCC(=O)[O-])=C3C.O.[Fe+3]>>,public_strict_iteration1_fulltrue_msa,,-3.397940008672037,,s_6d1fed997ec106162462906f,test
catpreddb_km_km_5b0455e30c71a1,catpred_iteration1_km,km,O16025,O16025,MTWKNFGFEIFGEKYGQEELEKRIKDEHTPPPDSPVFGGLKLKLKKEKFKTLFTLGTTLKGFRRATHTVGTGGIGEITIVNDPKFPEHEFFTAGRTFPARLRHANLKYPDDAGADARSFSIKFADSDSDGPLDIVMNTGEANIFWNSPSLEDFVPVEEGDAAEEYVYKNPYYYYNLVEALRRAPDTFAHLYYYSQVTMPFKAKDGKVRYCRYRALPGDVDIKEEDESGRLTEEEQRKIWIFSRHENEKRPDDYLRKEYVERLQKGPVNYRLQIQIHEASPDDTATIFHAGILWDKETHPWFDLAKVSIKTPLSPDVLEKTAFNIANQPASLGLLEAKSPEDYNSIGELRVAVYTWVQHLRKLKIGSLVPAGQNAIYNVEVETGDREHAGTDATITIRITGAKGRTDYLKLDKWFHNDFEAGSKEQYTVQGFDVGDIQLIELHSDGGGYWSGDPDWFVNRVIIISSTQDRVYSFPCFRWVIKDMVLFPGEATLPFNEVPAILFTMFENWDSYDDYHILYRNWILGGTPNMADRWHEDRWFGYQFLNGANPVILTRCDALPSNFPVTNEHVNASLDRGKNLDEEIKDGHIYIVDFKVLVGAKSYGGPVLEDIGYKVPDHLKHDEADIRYCAAPLALFYVNKLGHLMPIAIQINQEPGPENPIWTPHEENEHDWMMAKFWLGVAESNFHQLNTHLLRTHLTTESFALSTWRNLASAHPVFKLLQPHIYGVLAIDTIGRKELIGSGGIVDQSLSLGGGGHVTFMEKCFKEVNLQDYHLPNALKKRGVDDPSKLPGFYYRDDGLALWEAIETFIGEIIAIFYKNDDDVKRDNEIQSWIYDVHKNGWRVNPGHQDHGVPASFESREQLKEVLTSLVFTFSCQHAAVNFSQKDHYGFTPNAPAVLRHPPPKKKGEATLQSILSTLPSKSQAAKAIATVYILTKFSEDERYLGNYSATAWEDKDALDAINRFQDKLEDISKKIKQRNENLEVPYIYLLPERIPNGTAI,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.640272917984125,,s_4d8493b2e5dd2cbf972437fe,test
catpreddb_km_km_5b1a68a1312366,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_5b1b86fee1d2b8,catpred_iteration1_km,km,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.3095783776578738,,s_819c9375ca8203a769c0057f,test
catpreddb_km_km_5b3bd077a701f4,catpred_iteration1_km,km,P0A862,P0A862,MSQTVHFQGNPVTVANSIPQAGSKAQTFTLVAKDLSDVTLGQFAGKRKVLNIFPSIDTGVCAASVRKFNQLATEIDNTVVLCISADLPFAQSRFCGAEGLNNVITLSTFRNAEFLQAYGVAIADGPLKGLAARAVVVIDENDNVIFSQLVDEITTEPDYEAALAVLKA,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_d2d36757009aee3099233bfa,test
catpreddb_km_km_5b4cc5bec065d9,catpred_iteration1_km,km,A0A228BX09,A0A228BX09,MPPPPEVSPVTGNPVSPHYIHSSTLHFQDVNGRSLVLRGVNLSGSAKHPNNQPSHIREGFWETAEAGKGDFINKPLNLDDGSADLHLARLKAWGYNLLRYVFTWESLEHAGPKEYDYAYMDYIIAVLRKCKEWGFRVFMDPHQDVWSRFTGGSGAPLWTLYACGIDPYHLTATAAAYLHCEWPSAESPKPQDFPAMIWGTNYTHLANQTIWTFFFAGKTYAPKCIIDGKNIQDFLQDHFIDAVGELAKRIAEEAGDLLDECVIGWDSINEPGEGLIGCKDLAVIPAEQQLKKGPSPTPIEGMRLGMGEAQDVQAWNFGPMGPYRGSRQTIDPKGVKLWLSKEDDVKRGSGKWGWTRGKEWALGTCIWAHHGVWEIATSTLLRPDYFSTLPTNPGHQVDFVDDFWALHWLAYSSRIRLHHPESIHFIQAPVLRQPPKLPESFLKGRACSSPHFYDGLTLMTKHWNWFNADAIGVIRKKYWSIVQAVRIGEGPIRKMIQGELAVLKQDTIDILGNYPTLVGEIGIPYDMDDKKAYGYVDGGRGEGDYSSQQKAMDCSMNACDGPNCLNYAIWNYVPDNVHEWGDNWNGEDLSLWSVDDKEQESYHDSPRSDTPNFSTNSNSLTNSSATLTVPMSGASKLRPSPSVIDSGDFSPTLILDGSRAVAAFCRPYPVATVGIPERIDFDITSTKFKYAVRVRADDIANEQVYTEIYLPFVHYAASLNASRSAGHNPNLGQTTSTSADGDDSTVSSRQTSKVDLIEDERAIKSSDPSSVSIRSVPYSSFAQLSLDVTIVASHGRVEIQGQTLRWWYPVPGTGEEVYTIEVQRNGGALRRDLGYVQQGNFLDVCPECVIA,Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_d2a6244868eea8688e269a0b,test
catpreddb_km_km_5b516ffcc22ae7,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)(C)C1=CC(=O)C2OC2C1=O,CC(C)(C)C1=CC(=O)C2OC2C1=O,CC(C)(C)C1=CC(=O)C2OC2C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.5879370830417256,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_5b51f054602a85,catpred_iteration1_km,km,Q62087,Q62087,MGKLVALTLLGACLALIGERLLNFRERVSTTREIKATEPQNCHLIEGLENGSEDIDILPSGLAFISTGLKYPGMPAFAPDKPGRIFLMDLNEQNPEAQALEISGGLDQESLNPHGISTFIDKDNTAYLYVVNHPNMDSTVEIFKFEEQQRSLIHLKTLKHELLKSVNDIVVLGPEQFYATRDHYFTSYFLVLLEMILDPHWTSVVFYSPKEVKVVAQGFSSANGITVSLDQKFVYVADVTAKNIHIMKKHDNWDLTPVKVIQLGTLVDNLTVDPATGDILAGCHPNPMKLLIYNPEDPPGSEVLRIQDSLSDKPRVSTLYANNGSVLQGSTVASVYHKRMLIGTIFHKALYCDL,CC(=O)Oc1ccc2ccccc2c1,CC(=O)Oc1ccc2ccccc2c1,CC(=O)Oc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_8355cc7a8bc57f26e925c227,test
catpreddb_km_km_5b56af9a774e65,catpred_iteration1_km,km,Q45515,Q45515,MTKLIKNGTIVTATDIYEADLLIQDGKIAVIGRNLDESGAEVIDATGCYVFPGGIDPHTHLDMPFGGTVTKDDFESGTIAAAFGGTTTIIDFCLTNKGEPLKKAIETWHNKATGKAVIDYGFHLMISEITDDVLEELPKVIEEEGITSFKVFMAYKDVFQADDGTLYRTLVAAKELGALVMVHAENGDVIDYLTKKALEDGHTDPIYHALTRPPELEGEATGRACQLTELAGSQLYVVHVSCAQAVEKIAEARNKGLNVWGETCPQYLVLDQSYLEKPNFEGAKYVWSPPLREKWHQEVLWNALKNGQLQTLGSDQCSFDFKGQKELGRGDFTKIPNGGPIIEDRVSILFSEGVKKGRITLNQFVDIVSTRIAKLFGLFPKKGTIAVGADADLVIFDPTVERVISAETHHMAVDYNPFEGMKVTGEPVSVLCRGEFVVRDKQFVGKPGYGQYVKRAKYGALMADQDVVKMS,OC1=NC(O)=NC1,OC1=NC(O)=NC1,OC1=NC(O)=NC1>>,public_strict_iteration1_fulltrue_msa,,1.89209460269048,,s_b9b722591a44bf1589514ef5,test
catpreddb_km_km_5b5ae5e335b414,catpred_iteration1_km,km,D4N3A0,D4N3A0,MASFNRFCVSSLLAPNNSPQISNAPRSTAVPSMPTTQKWSITEDLAFISNPSKQHNHQTGYRIFSDEFYLKHENKLKDVRRALREVEETPLEGLVMIDTLQRLGIDYHFQGEIGALLQKQQRISTCDYPEHDLFEVSTRFRLLRQEGHNVPADVFNNFRDKEGRFKSELSRDIRGLMSLYEASQLSIQGEDILDQAADFSSQLLSGWATNLDHHQARLVRNALTHPYHKSLATFMARNFNYDCKGQNGWVNNLQELAKMDLTMVQSMHQKEVLQVSQWWKGRGLANELKLVRNQPLKWYMWPMAALTDPRFSEERVELTKPISFIYIIDDIFDVYGTLEELTLFTDAVNRWELTAVEQLPDYMKICFKALYDITNEIAYKIYKKHGRNPIDSLRRTWASLCNAFLEEAKWFASGNLPKAEEYLKNGIISSGMHVVTVHMFFLLGGCFTEESVNLVDEHAGITSSIATILRLSDDLGSAKDEDQDGYDGSYLECYLKDHKGSSVENAREEVIRMISDAWKRLNEECLFPNPFSATFRKGSLNIARMVPLMYSYDDNHNLPILEEHMKTMLYDSSS,[Mn+2],[Mn+2],[Mn+2]>>,public_strict_iteration1_fulltrue_msa,,-1.5497508916806388,,s_0e2e8568a29953235c8ab9bd,test
catpreddb_km_km_5b624ca266e18e,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](O)[C@@H](C(C)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](C(C)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](C(C)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_5b9b45104377b1,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3665315444204134,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_5ba4196a44ed05,catpred_iteration1_km,km,Q05329,Q05329,MASPGSGFWSFGSEDGSGDSENPGTARAWCQVAQKFTGGIGNKLCALLYGDAEKPAESGGSQPPRAAARKAACACDQKPCSCSKVDVNYAFLHATDLLPACDGERPTLAFLQDVMNILLQYVVKSFDRSTKVIDFHYPNELLQEYNWELADQPQNLEEILMHCQTTLKYAIKTGHPRYFNQLSTGLDMVGLAADWLTSTANTNMFTYEIAPVFVLLEYVTLKKMREIIGWPGGSGDGIFSPGGAISNMYAMMIARFKMFPEVKEKGMAALPRLIAFTSEHSHFSLKKGAAALGIGTDSVILIKCDERGKMIPSDLERRILEAKQKGFVPFLVSATAGTTVYGAFDPLLAVADICKKYKIWMHVDAAWGGGLLMSRKHKWKLSGVERANSVTWNPHKMMGVPLQCSALLVREEGLMQNCNQMHASYLFQQDKHYDLSYDTGDKALQCGRHVDVFKLWLMWRAKGTTGFEAHVDKCLELAEYLYNIIKNREGYEMVFDGKPQHTNVCFWYIPPSLRTLEDNEERMSRLSKVAPVIKARMMEYGTTMVSYQPLGDKVNFFRMVISNPAATHQDIDFLIEEIERLGQDL,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,Cc1ncc(COP(=O)(O)O)c(C=O)c1O>>,public_strict_iteration1_fulltrue_msa,,-3.0457574905606752,,s_722c1ac8704c29ff8f1c449e,test
catpreddb_km_km_5bebcda0a6c93e,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,COc1ccc(C(=O)NCC(=O)O)cc1,COc1ccc(C(=O)NCC(=O)O)cc1,COc1ccc(C(=O)NCC(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0861861476162833,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_5bf698e8408f15,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.0604807473813814,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_5c014796a91aee,catpred_iteration1_km,km,Q38707,Q38707,MAKSSEIEHPVKAFGWAARDTTGLLSPFKFSRRATGEKDVRLKVLFCGVCHSDHHMIHNNWGFTTYPIVPGHEIVGVVTEVGSKVEKVKVGDNVGIGCLVGSCRSCESCCDNRESHCENTIDTYGSIYFDGTMTHGGYSDTMVADEHFILRWPKNLPLDSGAPLLCAGITTYSPLKYYGLDKPGTKIGVVGLGGLGHVAVKMAKAFGAQVTVIDISESKRKEALEKLGADSFLLNSDQEQMKGARSSLDGIIDTVPVNHPLAPLFDLLKPNGKLVMVGAPEKPFELPVFSLLKGRKLLGGTINGGIKETQEMLDFAAKHNITADVEVIPMDYVNTAMERLVKSDVRYRFVIDIANTMRTEESLGA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6923902601111172,,s_84ddf20cad6ec362da938691,test
catpreddb_km_km_5c020837bda1ec,catpred_iteration1_km,km,Q9M1W4,Q9M1W4,MTGNSFNSMKDFLKQTGGYAVIDGGLATEFERHGADLNDPLWSAKCLVTSPHLIHTVHLDYLEAGADIISSASYQATIQGFEAKGFSREESESLLKKSVEIATEARNSYYDKCGTSSSMDDKILKKRPILVAASVGSYGAYLADGSEYSGIYGDSITLEKLKDFHRRRLQVLAESGADLIAFETIPNKIEAQAFADLLEEGDVKIPGWFSFNSKDGVNVVSGDSIKECISIAENCEKVVAVGINCTPPRFIEGLVLEIEKVTSKPILVYPNSGESYDADRKEWVENTGVGDEDFVSYVEKWMDAGVSLLGGCCRTTPTTIRAIHKRLVNRRSL,NC(CCS)C(=O)O,NC(CCS)C(=O)O,NC(CCS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6003297252732092,,s_78d8427694ba2a5941cb1004,test
catpreddb_km_km_5c02fb18f9e82a,catpred_iteration1_km,km,Q9YE01,Q9YE01,MEDLYLSWPKWFSEALARYSSLEGALEGVEEIYYCGMGGSGAAGDYIEALLSIYAPQGPEFRVVKDFRPPRPPRHRGYGLVLASYSGNTLETVECGSLLSPAAGRVVAVTSGGRLLEMAKERGWLVARLPGGILPRVSFPWMLAASTAMLSGALGVDLEALKRLAGGLDTQGLKGEAERLAGFISRYRIASLVTCGPGIPLAVRLKNELAENAKMPSRLEIYPESSHNDIVALEAAEGLYGAVFIWIEHEGSLCPAVLDVVEGIYREYGVDTISIESSARGGPNATVAEYLSRTLVFGLASVRLALMRGFNPEETPPIDKYKRRLGEALRSQA,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5171640143899466,,s_2f7fca05c88d6aadd7f589b4,test
catpreddb_km_km_5c065a571f54d3,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,OC1CCCc2ccccc21,OC1CCCc2ccccc21,OC1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.7072696352457497,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_5c1434879f832d,catpred_iteration1_km,km,H0VM25,H0VM25,MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAITYALSVGYRHIDCAAVYGNETEIGEALKANVGPGKAVPREEVFVTSKLWNTKHHPEDVEPALRKTLTDLQLEYLDLYLMHWPYAFERGDNPFPKNADGTVRYDSTHYKETWKALEVLVAKGLVRALGLSNFSSRQIDDVLSVASVRPAVLQVESHPYLAQNELIAHCQAHGLEVTAYSPLGSSDRAWRHPDEPILLEDPLVLALAEKYGRSPAQILLRWQVQRKVICIPKSVTPSRILENIQVFDFTFNPEEMKQLDALNKNWRYIVPMITVDGKRVPRDAGHPLYPFNDPY,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.997930770872928,,s_03d502bb58a0cf841239f73f,test
catpreddb_km_km_5c17069f118a61,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O,O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O,O=C(/C=C/c1ccc(O)cc1)c1ccc(O)cc1O>>,public_strict_iteration1_fulltrue_msa,,-2.619788758288394,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_5c4e622a55a593,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,Nc1ncnc2c([C@@H]3O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]3O)[nH]nc12,Nc1ncnc2c([C@@H]3O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]3O)[nH]nc12,Nc1ncnc2c([C@@H]3O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]3O)[nH]nc12>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_f28c949d1503440bae214094,test
catpreddb_km_km_5c4ea105357887,catpred_iteration1_km,km,Q9M1W4,Q9M1W4,MTGNSFNSMKDFLKQTGGYAVIDGGLATEFERHGADLNDPLWSAKCLVTSPHLIHTVHLDYLEAGADIISSASYQATIQGFEAKGFSREESESLLKKSVEIATEARNSYYDKCGTSSSMDDKILKKRPILVAASVGSYGAYLADGSEYSGIYGDSITLEKLKDFHRRRLQVLAESGADLIAFETIPNKIEAQAFADLLEEGDVKIPGWFSFNSKDGVNVVSGDSIKECISIAENCEKVVAVGINCTPPRFIEGLVLEIEKVTSKPILVYPNSGESYDADRKEWVENTGVGDEDFVSYVEKWMDAGVSLLGGCCRTTPTTIRAIHKRLVNRRSL,C[S+](C)CC[C@H](N)C(=O)O,C[S+](C)CC[C@H](N)C(=O)O,C[S+](C)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_78d8427694ba2a5941cb1004,test
catpreddb_km_km_5c526843dbf0d7,catpred_iteration1_km,km,B2KZE7,B2KZE7,MSNDKAATSTNFNLTPNRERIFQELSELISHYSPHSMPEHADTHEEAAKWVTAKLEELGLDVTRHPTVDDADTIIGVKEPVGDAPTILLYSHYDVVPAQNPAVWTNDPLELDERDGRWYGRGAADCKGNVIMHLEALRMVQENGGTDLGLKVVMEGSEELGGEDGLGKLIDANPELFTADVIFIGDGGNVAVGIPTLTTHLRGGAQLRFKVDTLEGPVHSGGWGGAAPDAAHALIRIIDSFFDEHGRTTIEGVDTTAKWEGDPYDRETFRKDARVLDGVQLLGTVDDEPADMVWARPAITVIGFTSVPVEDATNIVNPTAEAQFNLRVPAPQSAAEVAKKVEEQIRARAPWGAKVEVSITGVNEPFSTDPNGPAVQHFGKCLQDAYGAEHLTVVGTGGSIPLTVTLQKHFPDAEFALYGVADPAANIHGVDESVDPTEIEHVAIAEAEFLLTYGK,N[C@@H](CSCc1ccccc1)C(O)=NCC(=O)O,N[C@@H](CSCc1ccccc1)C(O)=NCC(=O)O,N[C@@H](CSCc1ccccc1)C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_1a390bf5fa4012bed425f476,test
catpreddb_km_km_5c582294565081,catpred_iteration1_km,km,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,N=C([O-])CCC(=O)C(=O)O,N=C([O-])CCC(=O)C(=O)O,N=C([O-])CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7099653886374819,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_km_km_5c659af2a269d1,catpred_iteration1_km,km,A0A6L2RED2,A0A6L2RED2,MTQPGQTTTTSHEAIDAFKRIVGDEHVLTSERATMPFSKGYRFGGGPVFAVVRPGTLVEMWRALQVSVDNNLIVIPQASNTGLTGGSGPGFQDYDRPIVIISTHRIDEVHLINDAREAISLAGTPLTHLTDALAKHQREPHSVIGSTSIGASVIGGIANNSGGSQIRKGPAFTREAIFARVNDDGKVELVNHLGISLGDDPEVALDRLQRGEWSPEDVTPAPEDSNETEYAEHLRKIVPSPARYNANPEYLFEASGSAGKLMVFAVRTRTFPREVHPTVFYIGTNNTHELEEIRRLFLEADMPLPISGEYMGRSAFDLAEKYGKDTFVFLKFMSPALQTRMFSFKTWANGLFSKIPGIGPTFADTVSQAMFSVLPNQLPKRMMEYRNRFEHHLLLTVSESQKAASEKILKEFFAEPEHTGEFFICTSDEEKSASLNRFGAASAATRYAALKRRHIAGLIPIDVALRRDDWNWLEVLPEEIDDQLEVKAYYGHFFCHVMHQDYVAKQGVDPEALHDRIQHLLEERGAKLPAEHNYGRIYKLPESMEEHFKELDPTNTFNAGIGGTSPHKDWA,C[C@@H](O)C(=O)O,C[C@@H](O)C(=O)O,C[C@@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2146701649892329,,s_3aa74395629a8d63087ea455,test
catpreddb_km_km_5c6a4a103dbcd3,catpred_iteration1_km,km,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.9208187539523751,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_km_km_5c73cfd565ec8e,catpred_iteration1_km,km,P03964,P03964,MLEKIIKQKKEEVKTLVLPVEQPFEKRSFKEALASPNRFIGLIAEVKKASPSKGLIKEDFVPVQIAKDYEAAKADAISVLTDTPFFQGENSYLSDVKRAVSIPVLRKDFIDSLQVEESRRIGADAILLIGEVLDPLHLHELYLEAGEKGMDVLVEVHDASTLEQILKVFTPDILGVNNRNLKTFETSVKQTEQIASLVPKESLLVSESGIGSLEHLTFVNEHGARAVLIGESLMRQTSQRKAIHALFRE,O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-],O=C([O-])c1ccccc1NCC(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.2291479883578558,,s_8003c4856206b4c2e4c0649b,test
catpreddb_km_km_5c7f1c3ce79a74,catpred_iteration1_km,km,Q9L9F4,Q9L9F4,MLILGLNGNVSAAGADVVPNLNELYMHDAAATLVRDGVLVAAVEEERLNRIKKTTKFPSNAIRECLAAAGAKPADVDAIAYYFPEDFFDDIFQQLYTEHPSVPTRYSREMILERLRVDLGWAAPPDILHYVPHHLAHAMSTYYRSGMREALVVVMDGAGERNCTTIYRSDGAELFEIASYPVPKSLGMFYLYGTRHLGYGFGDEYKVMGLAPYGDPSTYRDVFSTLYSLGPNGTYELIPRGGVVFRMTTILREHGLQPRRRGEPFTQAHMDFAASVQETTEQIAMHVIGYWARSTGLRNLAFGGGVAHNSTLNGRILTSGLFDEVFVHPASHDAGSSEGAALVVARERGERVWPLPRLTNASLGPDLGDVDSLERTLKSWSPLVDVERPDDIVEATAHLLAAGEAIGWAHGRSEFGPRALGNRSILADARPKENQTRINAMVKKRESFRPFAPVVTAEAAGDYFDLPETVGHHDFMSFVVQVRADRRELLGAVTHVDGSARVQVVTEETNPRFHRLVTRFGELTGTPVLLNTSFNNHAEPIVQSVDDVLTSYLTTSLDVLVIEDFVVRRRTELPLALEDFTIGFRPVTRLVRRLADVSAGRPGAPEVSHEIYLDHTSGPRATISAAMYELLTHADGVTPLGSLGIELTGELLTELYDLWQGRFVTVAPVGDGAGSAP,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.721246399047171,,s_cf92563dbf75db8cc3f111e8,test
catpreddb_km_km_5c8c44a2002a4e,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@@H](O)CCC2)C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_5c8cc48aa6e880,catpred_iteration1_km,km,B8I944,B8I944,MKHGIYYAYWEQEWEADYKYYIEKVAKLGFDILEIAASPLPFYSDIQINELKACAHGNGITLTVGHGPSAEQNLSSPDPDIRKNAKAFYTDLLKRLYKLDVHLIGGALYSYWPIDYTKTIDKKGDWERSVESVREVAKVAEACGVDFCLEVLNRFENYLINTAQEGVDFVKQVDHNNVKVMLDTFHMNIEEDSIGGAIRTAGSYLGHLHTGECNRKVPGRGRIPWVEIGEALADIGYNGSVVMEPFVRMGGTVGSNIKVWRDISNGADEKMLDREAQAALDFSRYVLECHKHS,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.2405492482825995,,s_fdd4fe1170624f6293cad7e3,test
catpreddb_km_km_5c953a0b5ec729,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,OCC(S)CS,OCC(S)CS,OCC(S)CS>>,public_strict_iteration1_fulltrue_msa,,0.2041199826559248,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_5ca3d75448ba82,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.3928430512878003,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_5ca6bf1c875188,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,C[C@@H](N=C(O)c1ccccc1)C(=O)O,C[C@@H](N=C(O)c1ccccc1)C(=O)O,C[C@@H](N=C(O)c1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.9242792860618816,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_5cb451ed0db653,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_5cb49d02c9b221,catpred_iteration1_km,km,F9W8I6,F9W8I6,MSAAVATVKLHNSFVPTSYDLHVSVDLASWRYDGRETIVLQRLSSVEPSKEIQLHYSKTMSIHEVTGAVVVDRNPEAGTLKLQLCGEPVERHTLTFSFTQEIREEMRGLYRVCFKTEDGVEHRMAATHFEPTAARYFYICQDEPAARADFTLRVTLPRSMEGYTVLSNGPLRTKEVCADGVTHCFDTVPAVPTYLTSCFVGELEHIDTTACGIPVRVYTVVGKVHRAGFALKTTAFALEYFEKFFDCKYPLPKLDVVAVPDFPIGGMENWGCIACVEAILVDEQTSSVGALKSAAELLCHEVSHNWFGNLVTVSWWDGLWLKEGFASWCGYNATHHLQPSWRCDEDANAGVASALVSDMYEHSHPVEVPIHDPAEIAQIFDAISYNKGMGLVHMLEAFLGDKWSASVAHYIKKYRYGDTRTTQLWQALEEASGVPLTEAMESFTTQMGFPMIHVSRPSANVIVLRQEPCQFVSAAERRKTQWCIPVVLEGAGGVSHRVELRGLEEQRVELPPALAQSSWINANPRRRGFFRCRYDDNSFSAILGAYTSLGASDRCGLITDTLASVYMGSDDMERLSILRSVLTEREPNGSVWREYYNSVSDLLSFLEDGNVHRELLRNLLFQVDVIATKLLEREPTTVEERLQRAFFVNASVATSLSCLSAADARAVPTVQWVLKEADAYLEGKPHAADTLTASLSAYVRLGPGDAATRLQTLWGRFVGADDNVELCRSLLRALCHAEDADFVEGVAKRCIYNDGIRSQYGGVIFAAIATNPLLPRGWLWSLFKKHFEGIDKQWGCGTFRIQSIVEAVGSTLTSDAHADDFEGFFRLHPLPHARLAVHRAVERIRLNAWLQRQWGGPKLSYLFFPR,Cc1cc(=O)oc2cc(N=C(O)CN)ccc12,Cc1cc(=O)oc2cc(N=C(O)CN)ccc12,Cc1cc(=O)oc2cc(N=C(O)CN)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.0811836096396206,,s_8b6d15dcee2ed527715ea463,test
catpreddb_km_km_5cb6dbf2b0f080,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_5ccbd91ca9ae5e,catpred_iteration1_km,km,Q93WK7,Q93WK7,IDCGVSIGTIFGIYMIKDKDNVTLDDVLQPGTDMLAAGYCMYGSSCTLVLSTGNGVNGFTLDPSLGEFILTHPNIKIPNRGKIYSVNEGSAKNWDAPTAKFVEKCKFPQDGSPSKSLRYIGSMVADVHRTLLYGGIFLYPADQKSPNGKLRVL,O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_325cb174a759073f88632f49,test
catpreddb_km_km_5ccd66c29709d9,catpred_iteration1_km,km,B3VPB3,B3VPB3,MGVSAVLLPLYLLSGVTSGLAVPASRNQSTCDTVDQGYQCFSETSHLWGQYVPFFSLANESAISPDVPAGCRVTFAQVLSRHGARYPTDSKGKKYSALIEEIQQNATTFDGKYAFLKTYNYSLGADDLTPFGEQELVNSGIKFYQRYESLTRNIIPFIRSSGSSRVIASGKKFIEGFQSTKLKDPRAQPGQSSPKIDVVISEASSSNNTLDPGTCTVFEDSELADAVEANFTATFVPTIRQRLENDLSGVSLTDTEVTYLMDMCSFDTISTSTVDTKLSPFCDLFTHDEWINYDYLQSLKKYYGHGAGNPLGPTQGVGYANELIARLTHSPVHDDTSSNHTLDSNSATFPLNSTLYADFSHDNGIISILFALGLYNGTKPLSTTTVQNITQTDGFSSAWTVPFASRLYVEMMQCQAEQEPLVRVLVNDRVVPLHGCPVDALGRCTRDSFVKGLSFARSGGDWAECFA,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.809894379144197,,s_5ed105acb4c7e38459e7081e,test
catpreddb_km_km_5cd0ffbe57f090,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_5cd2e9671c5641,catpred_iteration1_km,km,Q68SL7,Q68SL7,MSVVSAVSFMRPLHMRSPGPRGRRHTLPASEFRSLSPEDAISVFEIEREAFISVSGECPLHLDEVRHFLTLCPELSLGWFEEGRLVAFIIGSLWDQERLTTDALTLHKPHGTTVHIHVLAVHRTFRQQGKGSILMWRYLQYLRCLPYIRRAVLMCEDFLVPFYQKSGFKVQGPSDITVGPLTFIEMLYPVRGHAFMRRNSGC,NCCc1ccccc1,NCCc1ccccc1,NCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_ecc820d6303eca4ddb9ee17a,test
catpreddb_km_km_5cec47687a3959,catpred_iteration1_km,km,B8R7Q2,B8R7Q2,MAQSGGVVIVSNRAPVTFSRSESGERTYARGAGGLVTALNAVSRRAEGALWIASAASEEDVRVAREPGVCEIEDLRIVLVEHDPSAYDLMYNHLANPLLWFVQHGLYDLPYAPELGGETLRAWEEGYLPTNRNFARAAAEALSDMEEPVVLLHDYHLYMVPELLREEVGEEPLISFFVHIPWPEPGLWRVLPSYIREGVLRSLLRSDIVAFHTRRYARNFMASAAELLGAEVDPRGGAVRWGGREVWVRSYPISIDPAEFEEAAESPEVLREEEYVRNLPGALLVRVDRADLSKNVVRGFRAYGRMLELHPEMRGRVTFLAQVQPSRGDIPEYAAYAEAIRRSAGEVNEAFGTPSWRPVELSMQDNFPRSVAAYKNYDALLVNAVRDGMNLVAKEAAVVNRKDGVLILSENAGAHEELKDNALSVNPFDLDDQAAAIHRALTMPAAERARRARALREAVLSNTIEDWVAAQMHDMAARRKAFS,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_ab9a392f60f70f9035ad9903,test
catpreddb_km_km_5d04b965f824b0,catpred_iteration1_km,km,A0A168S2B8,A0A168S2B8,MESGGMSKNSTLICVPIMGETIEKMVVDMSKAKTSGADLVEVRLDTLKRFNPRQDLEVLIRKCPLPTLFTYRPKWEGGQYEGDENSRRDALRLAMELGADYVDIELKVAHEFINSIHGRKPEKFKVIVSSHNYQNTPSVEDLGNLVVSIQATGADIVKIATTALEITDVARIFQITVHSQVPVIGLVMGERGLISRILCPKFSGYLTFGSLEPGIVSAPGQPTIKDLLNLYNFRQLGPDTKVFGVIGKPVSHSKSPHLYNEAFKSVGFNGVYVHLLVDDIAKFFHTYSAADFAGFSCTIPHKEAALKCCDEVSPVAKSIGAVNCIIRRPSDGKLFGYNTDYVGAISAIEDGLRDLHKISSTSGSPLAGKLFVVIGAGGAGKALAYGAKEKGARVVIANRTYARARELADAVGGDALSLADLNNFHPENGMILANTTSIGMQPKVDETPISKHALKYYSLVFDAIYTPKITRLLREAQESGATIVTGLEMFIGQAYEQFERFTGLPAPKELFKQFISNLQ,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.982285130907726,,s_ea17a99ea775fd120e8e6609,test
catpreddb_km_km_5d198e5c602312,catpred_iteration1_km,km,P38993,P38993,MTNALLSIAVLLFSMLSLAQAETHTFNWTTGWDYRNVDGLKSRPVITCNGQFPWPDITVNKGDRVQIYLTNGMNNTNTSMHFHGLFQNGTASMDGVPFLTQCPIAPGSTMLYNFTVDYNVGTYWYHSHTDGQYEDGMKGLFIIKDDSFPYDYDEELSLSLSEWYHDLVTDLTKSFMSVYNPTGAEPIPQNLIVNNTMNLTWEVQPDTTYLLRIVNVGGFVSQYFWIEDHEMTVVEIDGITTEKNVTDMLYITVAQRYTVLVHTKNDTDKNFAIMQKFDDTMLDVIPSDLQLNATSYMVYNKTAALPTQNYVDSIDNFLDDFYLQPYEKEAIYGEPDHVITVDVVMDNLKNGVNYAFFNNITYTAPKVPTLMTVLSSGDQANNSEIYGSNTHTFILEKDEIVEIVLNNQDTGTHPFHLHGHAFQTIQRDRTYDDALGEVPHSFDPDNHPAFPEYPMRRDTLYVRPQSNFVIRFKADNPGVWFFHCHIEWHLLQGLGLVLVEDPFGIQDAHSQQLSENHLEVCQSCSVATEGNAAANTLDLTDLTGENVQHAFIPTGFTKKGIIAMTFSCFAGILGIITIAIYGMMDMEDATEKVIRDLHVDPEVLLNEVDENEERQVNEDRHSTEKHQFLTKAKRFF,Nc1ccccc1N,Nc1ccccc1N,Nc1ccccc1N>>,public_strict_iteration1_fulltrue_msa,,0.6180480967120927,,s_47d6ad19027377fc8c915789,test
catpreddb_km_km_5d1d023eb1c4b2,catpred_iteration1_km,km,P22045,P22045,MAGVDKAMVTLSNGVKMPQFGLGVWQSPAGEVTENAVKWALCAGYRHIDTAAIYKNEESVGAGLRASGVPREDVFITTKLWNTEQGYESTLAAFEESRQKLGVDYIDLYLIHWPRGKDILSKEGKKYLDSWRAFEQLYKEKKVRAIGVSNFHIHHLEDVLAMCTVTPMVNQVELHPLNNQADLRAFCDAKQIKVEAWSPLGQGKLLSNPILSAIGAKYNKTAAQVILRWNIQKNLITIPKSVHRERIEENADIFDFELGAEDVMSIDALNTNSRYGPDPDEAQF,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_32000de84ce188b22e1d028d,test
catpreddb_km_km_5d2a62217b1867,catpred_iteration1_km,km,A0A2T3QJW3,A0A2T3QJW3,MRVFKKRLLTGCILSFLSAPLAAHVYQFIPSDNPTNDEPIEQGWNNYLSNSGYGEAVVNQGVDEWYVNGNDGRANWTITPTTELNNQATRYGWTLSTEMRVVSGGYITNYYANGQHRFLPIISLQNGNLVAEFEGRSGATILASGDDVHGYHKYDIVFHPGPNPTASFFFDGVLIKSDWQGHPSSQNMIAWGNGSSSQAGEAYYRSITFTISGDPVFSTPDRIPSLVTSSQTPGTVAIFAEKRMGGGDPGAVTNTNDIITRISKDYGRTWGPEVNLTEQINLNDEYDFSDPRPIYLPQQDTITVSYVRWPTDAAQNGDKIKPWMASGVFYSTYDVANDTWSAPINVSSHVKEKTLQIVGWSGSEFYSKSLDEISSQNSWSLQSKLKIYNGKDNDLVVANGTKQYKISFAVNENGLVAYLDDQNSAKLIRTTIQNIAGFINVAMDFDPVTQTAQLTIDDAVVGTLSGIPSADKHILFGQTNAAHDGRLHIANINLNVNGQRVIDYDAETLTDINPNEMNNTPESQGWSKHKSGRAYSFYGVASVNPGPGHGIELKHQTEVTGNNNGRIIYPAITLDKYFLNVASVFSDDQGVTWDMASHLPVPYRWLPNRLETLEPSETDIVELNNGDILLTARLDFNQTVNNINYGPRHQFISHDGGMTWHMPENYGYQQFSNLSKNTVDASITRFTESDGSNYLLFTNPIGDLANNSGRENLGLWMSFDEGASWQGPIQLVNGGSAYSDIYQLDNENAMVIVEDNSRKIRVLTVPVTKIKQLLQ,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](Oc2ccc([N+](=O)[O-])cc2)(C(=O)O)C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.7242758696007892,,s_85a9e4b30e3e8e8e0bc3eb13,test
catpreddb_km_km_5d730d3d5447ef,catpred_iteration1_km,km,P42269,P42269,MKKVNHWINGKNVAGNDYFLTTNPATGEVLADVASGGEAEINQAVATAKEAFPKWANLPMKERARLMRRLGDLIDQNVPEIAAMETADTGLPIHQTKNVLIPRASHNFEFFAEVCQQMNGKTYPVDDKMLNYTLVQPVGVCALVSPWNVPFMTATWKVAPCLALGITAVLKMSELSPLTADRLGELALEAGIPAGVLNVVQGYGATAGDALVRHHDVRAVSFTGGTATGRNIMKNAGLKKYSMELGGKSPVLIFEDADIERALDAALFTIFSINGERCTAGSRIFIQQSIYPEFVKFAERANRVRVGDPTDPNTQVGALISQQHWEKVSGYIRLGIEEGATLLAGGPDKPSDLPAHLKGGNFLRPTVLADVDNRMRVAQEEIFGPVACLLPFKDEAEALRLANDVEYGLASYIWTQDVSKVLRLARGIEAGMVFVNTQFVRDLRHAFGGVKPRTGREGGGYSSKCSRK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.506856220934088,,s_6bbf4cce5f4fd9945a70ab48,test
catpreddb_km_km_5d7f60d5baa213,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(O)O)O2)cc1F,O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(O)O)O2)cc1F,O=c1[nH]c(=O)n(C2CC(O)C(COP(=O)(O)O)O2)cc1F>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_5d9156e943630b,catpred_iteration1_km,km,C5J3R6,C5J3R6,MATPTIKLNSGYDMPLVGFGLWKVNRETCADQVYEAIKAGYRLFDGACDYGNEVEAGQGVARAIKEGIVKREDLFIVSKLWNTFHEADKVEPIARKQLADWGLDYFDLYLIHFPIALKYVDPAEIYPPGWTGTKKEVEFSNATIQETWQAMETLVDKKLTRSIGISNFSAQLIMDLLRYARIRPATLQIEHHPYLTQQALVEYVQKEGIAVTAYSSFGPLSFLELGHQVAKDTPLLFEHSTVKSIAEKHGKTPAQVLLRWATQRNIAVIPKSNNPGRLAQNLDVTAWDLEPADIEALSALNKNLRFNNPPSYGLYIPIFA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.5800442515102421,,s_62555097f732fd455d7734ac,test
catpreddb_km_km_5d92c80f48c853,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.3737877807209651,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_5d999d89c5f399,catpred_iteration1_km,km,P30046,P30046,MPFLELDTNLPANRVPAGLEKRLCAAAASILGKPADRVNVTVRPGLAMALSGSTEPCAQLSISSIGVVGTAEDNRSHSAHFFEFLTKELALGQDRILIRFFPLESWQIGKIGTVMTFL,O=C1C=C2N[C@@H](C(=O)O)C=C2CC1=O,O=C1C=C2N[C@@H](C(=O)O)C=C2CC1=O,O=C1C=C2N[C@@H](C(=O)O)C=C2CC1=O>>,public_strict_iteration1_fulltrue_msa,,-0.3767507096020995,,s_f3571952575205c4cb55d9bb,test
catpreddb_km_km_5dac53d0cd77df,catpred_iteration1_km,km,P78985,P78985,MAPPQAPVQPPKRRRIGVLTSGGDAPGMNGVVRAVVRMAIHSDCEAFAVYEGYEGLVNGGDMIRQLHWEDVRGWLSRGGTLIGSARCMTFRERPGRLRAAKNMVLRGIDALVVCGGDGSLTGADVFRSEWPGLLKELVETGELTEEQVKPYQILNIVGLVGSIDNDMSGTDATIGCYSSLTRICDAVDDVFDTAFSHQRGFVIEVMGRHCGWLALMSAISTGADWLFVPEMPPKDGWEDDMCAIITKNRKERGKRRTIVIVAEGAQDRHLNKISSSKIKDILTERLNLDTRVTVLGHTQRGGAACAYDRWLSTLQGVEAVRAVLDMKPEAPSPVITIRENKILRMPLMDAVQHTKTVTKHIQNKEFAEAMALRDSEFKEYHFSYINTSTPDHPKLLLPENKRMRIGIIHVGAPAGGMNQATRAAVAYCLTRGHTPLAIHNGFPGLCRHYDDTPICSVREVAWQESDAWVNEGGSDIGTNRGLPGDDLATTAKSFKKFGFDALFVVGGFEAFTAVSQLRQAREKYPEFKIPMTVLPATISNNVPGTEYSLGSDTCLNTLIDFCDAIRQSASSSRRRVFVIETQGGKSGYIATTAGLSVGAVAVYIPEEGIDIKMLARDIDFLRDNFARDKGANRAGKIILRNECASSTYTTQVVADMIKEEAKGRFESRAAVPGHFQQGGKPSPMDRIRALRMATKCMLHLESYAGKSADEIAADELSASVIGIKGSQVLFSPMGGETGLEATETDWARRRPKTEFWLELQDTVNILSGRASVNNATWSCYENA,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_8151878b74c52e0b7b269877,test
catpreddb_km_km_5df0fbf58642c9,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_5e049e8b660814,catpred_iteration1_km,km,Q9SAH9,Q9SAH9,MLVDGKLVCVTGAGGYIASWIVKLLLERGYTVRGTVRNPTDPKNNHLRELQGAKERLTLHSADLLDYEALCATIDGCDGVFHTASPMTDDPETMLEPAVNGAKFVIDAAAKAKVKRVVFTSSIGAVYMNPNRDTQAIVDENCWSDLDFCKNTKNWYCYGKMLAEQSAWETAKAKGVDLVVLNPVLVLGPPLQSAINASLVHILKYLTGSAKTYANLTQVYVDVRDVALGHVLVYEAPSASGRYILAETALHRGEVVEILAKFFPEYPLPTKCSDEKNPRAKPYKFTTQKIKDLGLEFKPIKQSLYESVKSLQEKGHLPLPQDSNQNEVIIES,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)cc(OC)c1O,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)cc(OC)c1O,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.5128616245228137,,s_b5f6d9163eaf383b66897a43,test
catpreddb_km_km_5e36f1a68ab815,catpred_iteration1_km,km,Q9WXX1,Q9WXX1,MNLYVGLDVGTTGVKGILVNEKGEILATANERLTMFTPQPAWAEQDPLSWWEAVKKILKNLSERSKEMGGKIRAISTSGQMHSLVAIDDNGKVLRNAILWCDQRTYKECEEATQILGGEENVLKLVGNPILPGFTLPKILWIRKHEPEIYGKISKIMLPKDFINYMLTGEVKTEHSDASGTVMYSVSKMEWNKDVLKELNIPESVLPEIIPSNGVVGNVKPEVASDLGLSEDTLVIGGGADNACAALGIAVVEPGDVMVSLGTSGTVLAPTKGNQPDPKGRVHFFAHTVPETRYHMGVMLSATYSLEWFKEKFLSEDYETINEEVDKIPAGSNGIIFLPYLNGERTPHRDPFARGVFFGISSYNTKWDMVRAIFEGVAFGIKDSFDILRELKVVLNSVRITGGGSKSRVWNKMLADMTGLRIQKPAVDEGASYGAAILAVSGSMGENPAKISKEWFRVKSYTDPAVENTETYEKLHEKFKKLYTSLKEMFRS,OCC1(O)OC[C@@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2820778170077793,,s_f894650019f7c2e7a27e334b,test
catpreddb_km_km_5e37febcf841db,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.5340621800068392,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_5e3aee7e561dda,catpred_iteration1_km,km,A0A1E1FNX1,A0A1E1FNX1,MLRRASLPHRKTTRRSFVAAALLLAFAAPAAPAVAADSPGRSAVESPAPTTRQPLGTKTLHLVDTSRPDPWKPSAGHRELMVSLWYPALPSRSDRAPYMSAALSKAMLGSEVLSGVRTHAVAGARPAPVARPLVVLSPGFQMSRLTLTALGEDLASRGYAVAALDHTYEAPVEFPGGRVEPCLICEKPDLNAVVRNRAQDIRFLLDRLTGPGGELRVDRHRIAVVGHSIGGASAVETMREDPRVGAAVNLDGDFFLDPPAKGLNRPVLLLGAQRGRDTEDSRGDWERNWPHLTGWKRWLDVPDGGHMTFTDVPWIVDRFGRPAQIPPEQVPGQFGTLGGARATALTRAYVAAFLDRQLRGRPSPLLDRPSTAYPEVTILK,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1>>,public_strict_iteration1_fulltrue_msa,,0.9849771264154936,,s_11303bbb87beaeedd47209d2,test
catpreddb_km_km_5e47021a4bf5ea,catpred_iteration1_km,km,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=CCC(=O)O,C=CCC(=O)O,C=CCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.4471580313422194,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_km_km_5e646d67e72053,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,CC(NC(=O)[C@@H](C)N)C(=O)O,CC(NC(=O)[C@@H](C)N)C(=O)O,CC(NC(=O)[C@@H](C)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0128372247051722,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_5e708a5169cd2e,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,Nc1ccc(Br)cc1,Nc1ccc(Br)cc1,Nc1ccc(Br)cc1>>,public_strict_iteration1_fulltrue_msa,,0.255272505103306,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_5e73f454cb963f,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_5e755890b8943d,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1>>,public_strict_iteration1_fulltrue_msa,,-0.1804560644581313,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_5e813dfbc7295c,catpred_iteration1_km,km,Q9LBS6,Q9LBS6,MLKKTKIVCTQGPSTEKPGVIDALIANGMNCARFNFSHGDHEEHLGRINMVREAAKKAGKVISLILDTKGPEMRLGEFKDGKVMLEKGNKFTLTYDDEPGDETHVSVNHKGLYTEVKPGDTLLLSDGLVALKVDEIKGKDIVTTIQNSGKMSTRKRVAAPGVPLGLPPISEQDAKDIIFGCEQDMDFVAASFIQRPDDVIAIRKLIEEHNGHMEILPKIENLEGVKNFDAILEVSDGIMVARGDLGVEVPAEDVPLIQKEIIRKCNAAGKPVIVATQMLDSMERNPRPTRAEVSDVGNAILDGTDAIMLSGETASGDYPVEAVATMNRIAQRMESSLEYKELYVERGLQHMESRTRAIAHATVQMAYELDAPAIITPTESGYTTKVVSKYRPKAAIVAYTPSEKVLRQLNLRWGVYPVLGTQWSDVDEMISNATAAAVKEDLVQRGDLTIITSGVKMESRTRAIAHATDI,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_bee16503fe05e969c6159de2,test
catpreddb_km_km_5e8eb33f8d7e71,catpred_iteration1_km,km,F6IXY6,F6IXY6,MKVIVIGCTHAGTAAVNQILASNPETDVTIYERNDNVSFLSCGIALYLGGEVADPQGLFYSSPEQLAKLGANVHMQHDVTDVDTENHEITVTDLKTGESKKDYYDKLVVTTGSWPVIPPIDGIDSPNVYLCKNWTHAQSLWEAAKPAKRVIVIGGGYIGTELVEAYQKQGKEVTLIDGLPRILNKYLDKGFTDRVEKDFVDHGIKMALNQMVKGFSDDGKEVTVKTDKGSYTADMAILCVGFRPNTSLLKGKVDMNPNGSIKTNDYMQTSDPDIYGAGDSVAVHYNPTKKDAYIPLATNAVRQGTLVGLNIFKPTRKYMGTQSTSGLMLFGKTIVSSGMTLEHAQAEKVPAEAVTFEDNYRPEFMPTTKPVLMQLVYNPETREILGAQFMSEHDVSQSANVISVMIQNHNTIDDLGFVDMFFQPIYDRPFNYLNLLGQAAIAHAAEKVTE,CN1C=CCC(C(=N)O)=C1,CN1C=CCC(C(=N)O)=C1,CN1C=CCC(C(=N)O)=C1>>,public_strict_iteration1_fulltrue_msa,,0.2041199826559248,,s_ff0e45f2a0a3549e1b2abf1d,test
catpreddb_km_km_5e8fed154d75d2,catpred_iteration1_km,km,P97852,P97852,MASPLRFDGRVVLVTGAGGGLGRAYALAFAERGALVVVNDLGGDFKGVGKGSSAADKVVEEIRRRGGKAVANYDSVEAGEKLVKTALDTFGRIDVVVNNAGILRDRSFSRISDEDWDIIQRVHLRGSFQVTRAAWDHMKKQNYGRIIMTASASGIYGNFGQANYSAAKLGLLGLANTLVIEGRKNNIHCNTIAPNAGSRMTETVMPEDLVEALKPEYVAPLVLWLCHESCEENGGLFEVGAGWIGKLRWERTLGAIVRKRNQPMTPEAVRDNWVKICDFSNASKPKSIQESTGGIIEVLHKIDSEGISQNHTGQVASADASGFAGVVGHKLPSFSSSYTELQCIMYALGVGASVKNPKDLKFVYEGSADFSCLPTFGVIVAQKSLMSGGLAEVPGLSINFAKVLHGEQYLELYKPLPRSGELKCEAVIADILDKGSGIVIVMDVYSYSGKELICYNQFSVFVVGSGGFGGKRTSEKLKAAVAVPSRPPDAVLRDTTSLNQAALYRLSGDSNPLHIDPSFASIAGFEKPILHGLCTFGFSARHVLQQFADNDVSRFKAIKVRFAKPVYPGQTLQTEMWKEGNRIHFQTKVQETGDIVISNAYVDLVPTSGVSAQTPSEGGALQSALVFGEIGRRLKDVGREVVKKVNAVFEWHITKNGNVAAKWTIDLKNGSGEVYQGPAKGSADTTITISDEDFMEVVLGKLNPQNAFFSGRLKARGNIMLSQKLQMILKDYAKL,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.9395192526186184,,s_9becf2a8fe0eaa406b93aa54,test
catpreddb_km_km_5eb8f826bca894,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCC/C=C\CCCCCCCCCC(=O)[O-],CCCCCCCC/C=C\CCCCCCCCCC(=O)[O-],CCCCCCCC/C=C\CCCCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.7772835288524167,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_5ebae9e456db09,catpred_iteration1_km,km,Q04212,Q04212,MVNEKVNPFDLASVSPLVLGGAILNQQYTDEPESIPLEDIIKYAFSHGINAIDTSPYYGPSEVLYGRALSNLRNEFPRDTYFICTKVGRIGAEEFNYSRDFVRFSVHRSCERLHTTYLDLVYLHDVEFVKFPDILEALKELRTLKNKGVIKNFGISGYPIDFITWLAEYCSTEESDIGSLDAVLSYCNLNLQNNKLLNFRERLLRNAKLKMVCNASILSMSLLRSQETRQFHPCSHELRECASQAAKYCQEQNVDLADLATRYAISEWVGKGPVVLGVSSMEELKLALDNYEIVKSNGNRLSSKDGQLVEYIQKNIFKEHFNEEWSSGIPHPEMI,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.255272505103306,,s_1b480b479e86e0133ff3f910,test
catpreddb_km_km_5ec896dd2926e1,catpred_iteration1_km,km,Q1GSG1,Q1GSG1,MASQVETLIRSAVVKTIGKVADFNRRRLPRPTDAHPFLSGIHRPMTEELTIEALRVDGEIPAALRGRYLRNGPNPAMPPDPASYHWFIGAGMVHGIRIEGGQAVWYRNRWVRGSEACAALGEELPPGPREERNDAPNTNVVGLAGRTFAIVEAGGTPVELDHELGTIAHNPFDGTLAGAFTAHPHADPFTGETHAITYRSDEPNKVWHVVLDEQAHVVREEPIAVSDGPSIHDCALTENYVLVFDLPVTFSMKRLLAGYRFPYMWNENHPARVGLLPREGRGDDIVWVPVDPCYVFHPANAFETADGRVIVDVVAHETMFATSKRGPDSEKSRMERWTIDPVARTTTRTVIHDHAQEFPRYDERLTTRPYRYVYSIAIPDGRSAEWALADTRLFRHDLETGTTAIHDFGSGRHPGEFVFVPRKAAGAEDDGWLIGLVVDMNDETTDLVILNADDFTGPPQAVVHLPHRVPPGFHGNWVAD,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-0.910448117113546,,s_50d0718f3ba851d9e6a35d29,test
catpreddb_km_km_5ee05bdefce9cd,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3098039199714864,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_5f0e5db1beace3,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,CCCCCCCOS(=O)(=O)O,CCCCCCCOS(=O)(=O)O,CCCCCCCOS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5670307091255943,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_5f1c9bffb70473,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21,O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21,O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.5590909179347823,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_5f31bb4ea84e7d,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,CSCC1OC(OP(=O)(O)O)C(O)C1O,CSCC1OC(OP(=O)(O)O)C(O)C1O,CSCC1OC(OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.5686362358410126,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_5f3caaa2c5455f,catpred_iteration1_km,km,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,CSCC[C@@H](N)C(=O)O,CSCC[C@@H](N)C(=O)O,CSCC[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_d9fe73494ede26238d4e9e26,test
catpreddb_km_km_5f4521511f20fd,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,O=C1CCCc2ccccc21,O=C1CCCc2ccccc21,O=C1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_5f56fca4a3f0f8,catpred_iteration1_km,km,P9WQA9,P9WQA9,MTPISQTPGLLAEAMVDLGAIEHNVRVLREHAGHAQLMAVVKADGYGHGATRVAQTALGAGAAELGVATVDEALALRADGITAPVLAWLHPPGIDFGPALLADVQVAVSSLRQLDELLHAVRRTGRTATVTVKVDTGLNRNGVGPAQFPAMLTALRQAMAEDAVRLRGLMSHMVYADKPDDSINDVQAQRFTAFLAQAREQGVRFEVAHLSNSSATMARPDLTFDLVRPGIAVYGLSPVPALGDMGLVPAMTVKCAVALVKSIRAGEGVSYGHTWIAPRDTNLALLPIGYADGVFRSLGGRLEVLINGRRCPGVGRICMDQFMVDLGPGPLDVAEGDEAILFGPGIRGEPTAQDWADLVGTIHYEVVTSPRGRITRTYREAENR,CC(N)C(=O)O,CC(N)C(=O)O,CC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0602869656029249,,s_33fa7fb7e725a59567327012,test
catpreddb_km_km_5f5a44f6fbfd77,catpred_iteration1_km,km,P9WK13,P9WK13,MSASPLKVAVTGAAGQIGYSLLFRLASGSLLGPDRPIELRLLEIEPALQALEGVVMELDDCAFPLLSGVEIGSDPQKIFDGVSLALLVGARPRGAGMERSDLLEANGAIFTAQGKALNAVAADDVRVGVTGNPANTNALIAMTNAPDIPRERFSALTRLDHNRAISQLAAKTGAAVTDIKKMTIWGNHSATQYPDLFHAEVAGKNAAEVVNDQAWIEDEFIPTVAKRGAAIIDARGASSAASAASATIDAARDWLLGTPADDWVSMAVVSDGSYGVPEGLISSFPVTTKGGNWTIVSGLEIDEFSRGRIDKSTAELADERSAVTELGLI,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_c636a6959bff03450d3c3522,test
catpreddb_km_km_5f6ea11ab91230,catpred_iteration1_km,km,Q5BLZ6,Q5BLZ6,MLKEAVYHRPTDQFAYAYDDKTLHIRLRTKKSDVHAVSLLHGDPYCWEDRQWQFTKTEMTKSGSDALFDYWWVAISPPYRRLRYGFELVSGNERCVYTEKGFFHEAPIDDIAYYFCFPFLNRIDVFHAPTWVKDTVWYQIFPERFANGDPSLNPKGTIPWGSADPTPTSFFGGDFAGIMERLDYLVELGINGIYFTPIFKASSNHKYDTIDYFEIDPQFGDKPTFKRLVERCHQKGIRVMLDAVFNHSGHFFAPFQDVLKHGEKSKYKDWFHIHEFPLQTEPLPNYDTFAFVPTMPKLNTENQEVKQYLLDVATYWIREFDIDGWRLDVANEVDHQFWREFRQAVKAVKQDVYILGEIWHDAMPWLRGDQFDAVMNYPFTNGVLRYFAKSEMKASEFAHSITNVLHSYPNNVNEVAFHLLGSHDTPRILTECGENKEKVKLMFTFQFSFTGTPCIYYGDEIGLTGGQDPLCRKCMVWEEEKQDLELFAHVQKLISLRRKYRSLSRGELHFLETNDETNHLVYTKTYEQETVIFLLNNSNRKLDITLPLSVKRKKLTDLWTNKQFVSEENEWTVTLAPYGFLMFLVE,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_dd5d216cdf90f90ee5b636e1,test
catpreddb_km_km_5f736d1b908823,catpred_iteration1_km,km,H0VM25,H0VM25,MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAITYALSVGYRHIDCAAVYGNETEIGEALKANVGPGKAVPREEVFVTSKLWNTKHHPEDVEPALRKTLTDLQLEYLDLYLMHWPYAFERGDNPFPKNADGTVRYDSTHYKETWKALEVLVAKGLVRALGLSNFSSRQIDDVLSVASVRPAVLQVESHPYLAQNELIAHCQAHGLEVTAYSPLGSSDRAWRHPDEPILLEDPLVLALAEKYGRSPAQILLRWQVQRKVICIPKSVTPSRILENIQVFDFTFNPEEMKQLDALNKNWRYIVPMITVDGKRVPRDAGHPLYPFNDPY,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23>>,public_strict_iteration1_fulltrue_msa,,-0.6813781613991282,,s_03d502bb58a0cf841239f73f,test
catpreddb_km_km_5f85c7b73c6210,catpred_iteration1_km,km,F9W8I6,F9W8I6,MSAAVATVKLHNSFVPTSYDLHVSVDLASWRYDGRETIVLQRLSSVEPSKEIQLHYSKTMSIHEVTGAVVVDRNPEAGTLKLQLCGEPVERHTLTFSFTQEIREEMRGLYRVCFKTEDGVEHRMAATHFEPTAARYFYICQDEPAARADFTLRVTLPRSMEGYTVLSNGPLRTKEVCADGVTHCFDTVPAVPTYLTSCFVGELEHIDTTACGIPVRVYTVVGKVHRAGFALKTTAFALEYFEKFFDCKYPLPKLDVVAVPDFPIGGMENWGCIACVEAILVDEQTSSVGALKSAAELLCHEVSHNWFGNLVTVSWWDGLWLKEGFASWCGYNATHHLQPSWRCDEDANAGVASALVSDMYEHSHPVEVPIHDPAEIAQIFDAISYNKGMGLVHMLEAFLGDKWSASVAHYIKKYRYGDTRTTQLWQALEEASGVPLTEAMESFTTQMGFPMIHVSRPSANVIVLRQEPCQFVSAAERRKTQWCIPVVLEGAGGVSHRVELRGLEEQRVELPPALAQSSWINANPRRRGFFRCRYDDNSFSAILGAYTSLGASDRCGLITDTLASVYMGSDDMERLSILRSVLTEREPNGSVWREYYNSVSDLLSFLEDGNVHRELLRNLLFQVDVIATKLLEREPTTVEERLQRAFFVNASVATSLSCLSAADARAVPTVQWVLKEADAYLEGKPHAADTLTASLSAYVRLGPGDAATRLQTLWGRFVGADDNVELCRSLLRALCHAEDADFVEGVAKRCIYNDGIRSQYGGVIFAAIATNPLLPRGWLWSLFKKHFEGIDKQWGCGTFRIQSIVEAVGSTLTSDAHADDFEGFFRLHPLPHARLAVHRAVERIRLNAWLQRQWGGPKLSYLFFPR,CC1=CCOc2cc(N=C(O)[C@H](C)N)ccc21,CC1=CCOc2cc(N=C(O)[C@H](C)N)ccc21,CC1=CCOc2cc(N=C(O)[C@H](C)N)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.8569851997459049,,s_8b6d15dcee2ed527715ea463,test
catpreddb_km_km_5f872f689cd30c,catpred_iteration1_km,km,P07913,P07913,MKALSKLKAEEGIWMTDVPVPELGHNDLLIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVGIGQEVKGFKIGDRVSGEGHITCGHCRNCRGGRTHLCRNTIGVGVNRPGCFAEYLVIPAFNAFKIPDNISDDLAAIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVAKHVGARNVVITDVNEYRLELARKMGITRAVNVAKENLNDVMAELGMTEGFDVGLEMSGAPPAFRTMLDTMNHGGRIAMLGIPPSDMSIDWTKVIFKGLFIKGIYGREMFETWYKMAALIQSGLDLSPIITHRFSIDDFQKGFDAMRSGQSGKVILSWD,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0931629976132111,,s_4738684cd83688944be39dab,test
catpreddb_km_km_5f874ad20c3b88,catpred_iteration1_km,km,Q5BLZ6,Q5BLZ6,MLKEAVYHRPTDQFAYAYDDKTLHIRLRTKKSDVHAVSLLHGDPYCWEDRQWQFTKTEMTKSGSDALFDYWWVAISPPYRRLRYGFELVSGNERCVYTEKGFFHEAPIDDIAYYFCFPFLNRIDVFHAPTWVKDTVWYQIFPERFANGDPSLNPKGTIPWGSADPTPTSFFGGDFAGIMERLDYLVELGINGIYFTPIFKASSNHKYDTIDYFEIDPQFGDKPTFKRLVERCHQKGIRVMLDAVFNHSGHFFAPFQDVLKHGEKSKYKDWFHIHEFPLQTEPLPNYDTFAFVPTMPKLNTENQEVKQYLLDVATYWIREFDIDGWRLDVANEVDHQFWREFRQAVKAVKQDVYILGEIWHDAMPWLRGDQFDAVMNYPFTNGVLRYFAKSEMKASEFAHSITNVLHSYPNNVNEVAFHLLGSHDTPRILTECGENKEKVKLMFTFQFSFTGTPCIYYGDEIGLTGGQDPLCRKCMVWEEEKQDLELFAHVQKLISLRRKYRSLSRGELHFLETNDETNHLVYTKTYEQETVIFLLNNSNRKLDITLPLSVKRKKLTDLWTNKQFVSEENEWTVTLAPYGFLMFLVE,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO>>,public_strict_iteration1_fulltrue_msa,,-0.4948500216800939,,s_dd5d216cdf90f90ee5b636e1,test
catpreddb_km_km_5f900a16d33f75,catpred_iteration1_km,km,Q9Y5Y6,Q9Y5Y6,MGSDRARKGGGGPKDFGAGLKYNSRHEKVNGLEEGVEFLPVNNVKKVEKHGPGRWVVLAAVLIGLLLVLLGIGFLVWHLQYRDVRVQKVFNGYMRITNENFVDAYENSNSTEFVSLASKVKDALKLLYSGVPFLGPYHKESAVTAFSEGSVIAYYWSEFSIPQHLVEEAERVMAEERVVMLPPRARSLKSFVVTSVVAFPTDSKTVQRTQDNSCSFGLHARGVELMRFTTPGFPDSPYPAHARCQWALRGDADSVLSLTFRSFDLASCDERGSDLVTVYNTLSPMEPHALVQLCGTYPPSYNLTFHSSQNVLLITLITNTERRHPGFEATFFQLPRMSSCGGRLRKAQGTFNSPYYPGHYPPNIDCTWNIEVPNNQHVKVRFKFFYLLEPGVPAGTCPKDYVEINGEKYCGERSQFVVTSNSNKITVRFHSDQSYTDTGFLAEYLSYDSSDPCPGQFTCRTGRCIRKELRCDGWADCTDHSDELNCSCDAGHQFTCKNKFCKPLFWVCDSVNDCGDNSDEQGCSCPAQTFRCSNGKCLSKSQQCNGKDDCGDGSDEASCPKVNVVTCTKHTYRCLNGLCLSKGNPECDGKEDCSDGSDEKDCDCGLRSFTRQARVVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPICLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV,Cc1cc(=O)oc2cc(C(O)=NC(=O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(C(O)=NC(=O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(C(O)=NC(=O)[C@H](CCCNC(=N)N)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)OC(C)(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.8664610916297824,,s_b263b22b3360761991316e48,test
catpreddb_km_km_5f9c2715400ca9,catpred_iteration1_km,km,A0A3G4RI75,A0A3G4RI75,MILAGDIGGTKTVLSLLEKGADGLMNCALERTFASAEYDSFDEILDLFLPGDIQIDSACFGVAGPVVEQRCFATNLSWILDGQELKSKLGTERVRLLNDLEAMAVGMLHLDPDDFIELNPAAEPQTGNIAVIAAGTGLGEAILYWDGKQHHPIATEGGHGSFAPQNAQQDLLLQFLRRRYPQHVSYERILSGKGFSHLYDFLLEYQFAPPCPAVPSVDSVQVSGIDRNAVISRLGINGEDVLCSEAVRLFVEIYGAEAGNLVLKSFATGGVFIGGGIGPKIRSALEAGDFMQAFAAKGRFQTLLGRMSVKLALNPRTPLIGAAHYFQAD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1079053973095196,,s_158a3e9d75230b3579248779,test
catpreddb_km_km_5f9cfc5c6d476b,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CNC(=O)c1ccc(C(F)(F)F)cc1,O=C(O)CNC(=O)c1ccc(C(F)(F)F)cc1,O=C(O)CNC(=O)c1ccc(C(F)(F)F)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1135092748275181,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_5fb735f61fabc2,catpred_iteration1_km,km,Q6WB13,Q6WB13,MASNSIVTILEQSRISSPPGTIGERSLPLTFFDIGWVPFPPVHHVFFYRFPHSKSHFLETVVPNLKHSLSLALQHFFPFASNLYVSPNADDFGVIRKPEIRHVEGDYVALTFAECSLDFNDLTGNHPRKCENFYPLVPPLGNVVKMADCVTIPLFSVQVTYFRDSGISIGMTNHHSLGDASTRLGFLKVWTSIAKSGGDQSLLMNGSLPVLDRLIDVPKLDEYRLRHTSLETFYQPPSLVGPTKKVRATFILSRTNINQLKKRVLTQIPTLEYISSFTVTCGYIWSCIAKSLVKMGEKKGEDELEQFICTADCRSRMDPPIPSTYFGNCGAPCVTTIKNVVLSSENGFVFAAKLIGEAINKMVKNKEGILKDAERWHDAFKIPARKIGVAGTPKLNFYDIDFGWGKPQKNETISIDYNGSVAINASKESTQDFEIGLCFSNMQMEAFADIFNHGLESEI,OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.552841968657781,,s_b74452fdfa942f6e3c0cb1f2,test
catpreddb_km_km_5fd02af22ecc97,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1,N#CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.9138138523837168,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_5fde2936c7e171,catpred_iteration1_km,km,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_731307d31ab453cb17afec38,test
catpreddb_km_km_600a8440877a60,catpred_iteration1_km,km,P9WHK9,P9WHK9,MAGPDRAELAELVRRLSVVHGRVTLSSGREADYYVDLRRATLHHRASALIGRLMRELTADWDYSVVGGLTLGADPVATAIMHAPGRPIDAFVVRKSAKAHGMQRLIEGSEVTGQRVLVVEDTSTTGNSALTAVHAVQDVGGEVVGVATVVDRATGAAEAIEAEGLRYRSVLGLADLGLD,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_2afc4eaf023153df9b9f42b2,test
catpreddb_km_km_6017c4615be02b,catpred_iteration1_km,km,B3VI55,B3VI55,MPIATSTGDNVLDFTVLGLNSGTSMDGIDCALCHFYQKTPDAPMEFELLEYGEVPLAQPIKQRVMRMILEDTTSPSELSEVNVILGEHFADAVRQFAAERNVDLSTIDAIASHGQTIWLLSMPEEGQVKSALTMAEGAILASRTGITSITDFRISDQAAGRQGAPLIAFFDALLLHHPTKLRACQNIGGIANVCFIPPDVDGRRTDEYYDFDTGPGNVFIDAVVRHFTNGEQEYDKDGAMGKRGKVDQELVDDFLKMPYFQLDPPKTTGREVFRDTLAHDLIRRAEAKGLSPDDIVATTTRITAQAIVDHYRRYAPSQEIDEIFMCGGGAYNPNIVEFIQQSYPNTKIMMLDEAGVPAGAKEAITFAWQGMEALVGRSIPVPTRVETRQHYVLGKVSPGLNYRSVMKKGMAFGGDAQQLPWVSEMIVKKKGKVITNNWA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_9cdb9b9fd2dac4958cd857b7,test
catpreddb_km_km_6019ca70f1a75b,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4CC1)[C@@H]32,CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4CC1)[C@@H]32,CC[C@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4CC1)[C@@H]32>>,public_strict_iteration1_fulltrue_msa,,-3.9665762445130506,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_605538108b39b2,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(CO)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.0087739243075051,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_60556386093921,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.619788758288394,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_60677a4a0a438f,catpred_iteration1_km,km,P97852,P97852,MASPLRFDGRVVLVTGAGGGLGRAYALAFAERGALVVVNDLGGDFKGVGKGSSAADKVVEEIRRRGGKAVANYDSVEAGEKLVKTALDTFGRIDVVVNNAGILRDRSFSRISDEDWDIIQRVHLRGSFQVTRAAWDHMKKQNYGRIIMTASASGIYGNFGQANYSAAKLGLLGLANTLVIEGRKNNIHCNTIAPNAGSRMTETVMPEDLVEALKPEYVAPLVLWLCHESCEENGGLFEVGAGWIGKLRWERTLGAIVRKRNQPMTPEAVRDNWVKICDFSNASKPKSIQESTGGIIEVLHKIDSEGISQNHTGQVASADASGFAGVVGHKLPSFSSSYTELQCIMYALGVGASVKNPKDLKFVYEGSADFSCLPTFGVIVAQKSLMSGGLAEVPGLSINFAKVLHGEQYLELYKPLPRSGELKCEAVIADILDKGSGIVIVMDVYSYSGKELICYNQFSVFVVGSGGFGGKRTSEKLKAAVAVPSRPPDAVLRDTTSLNQAALYRLSGDSNPLHIDPSFASIAGFEKPILHGLCTFGFSARHVLQQFADNDVSRFKAIKVRFAKPVYPGQTLQTEMWKEGNRIHFQTKVQETGDIVISNAYVDLVPTSGVSAQTPSEGGALQSALVFGEIGRRLKDVGREVVKKVNAVFEWHITKNGNVAAKWTIDLKNGSGEVYQGPAKGSADTTITISDEDFMEVVLGKLNPQNAFFSGRLKARGNIMLSQKLQMILKDYAKL,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.6627578316815741,,s_9becf2a8fe0eaa406b93aa54,test
catpreddb_km_km_606b07145a3cce,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)C(=O)O,CC(C)C(=O)O,CC(C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7634279935629373,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_6077ba6b49e15c,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,Cc1onc(-c2ccccc2)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,Cc1onc(-c2ccccc2)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,Cc1onc(-c2ccccc2)c1C(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-5.522878745280337,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_608cd26dc39a5b,catpred_iteration1_km,km,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]>>,public_strict_iteration1_fulltrue_msa,,-0.9832881222565252,,s_3922a407c453485de3311bb6,test
catpreddb_km_km_60a714c054bf01,catpred_iteration1_km,km,G1U5X6,G1U5X6,MALAISAARVWGPRRQAVPLLLRQLGARGLTRSQLPRWQQQQQFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYQSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALENTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDRGKGRQMPVHYGCKERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGIMSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHFLLSRGWWDEEQEKAWRKQSRKKVMEAFEQAERKLKPSPSLLFSDVYQEMPPQLRKQQESLARHLQTYGEHYPLDHFDK,CC(C)CC(=O)C(=O)[O-],CC(C)CC(=O)C(=O)[O-],CC(C)CC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.2614393726401687,,s_e20fe1e71bdaa77d152d5f75,test
catpreddb_km_km_60ae16c5cb6cdc,catpred_iteration1_km,km,P05065,P05065,MPHPYPALTPEQKKELADIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSSLAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHVYLEGTLLKPNMVTPGHACTQKFSNEEIAMATVTALRRTVPPAVPGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYIKRALANSLACQGKYTPSGQSGAAASESLFISNHAY,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.778452674814625,,s_73e8f341fa8a086db0edf9f9,test
catpreddb_km_km_60afd2fb1fe155,catpred_iteration1_km,km,P14299,P14299,MKDMGEDRPGIGHSTNLVGLPTDLLASAWFNQAAPEIHIAGVREMNRSLFEMLAEAPDLESAGEAFYKYMIAMFGLDPEQQDHRPGQGGAVRRFHASYLRLLKGWGYDTNAKEGAVLKGWVESRFGLFPTFHREPITKFASKAWITYIEEKMTSRFHNNSIYVQLDLMYEFCQWALARFAAPGESALLLYRGVNDFTEHQMIERIDNRQVVVRMNNLVSFSSDRGVADCFGDTILETRVPVSKIVFFNTLLTSHPLKGEGEYLVIGGDYLVKASYL,O=[As]([O-])([O-])[O-],O=[As]([O-])([O-])[O-],O=[As]([O-])([O-])[O-]>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_5e9f31e94fc9501b6ba74821,test
catpreddb_km_km_60e641ff8e7bf8,catpred_iteration1_km,km,O81083,O81083,MSSDDLESPPSSYLPIPPSDEFHDQPPPLRSWLRLLSIPLALMFLLFLATFLSNLESPPSDSGLVSDPVTFDVNPAVVRRGKDAGVSDKTSGVDSGFVLDPVAVDANSVVVHRGKDAGVSDKTSGVDSGLLKDSPLGPYPWTNQMLSWQRTGFHFQPVKNWMNDPNGPLYYKGWYHFFYQYNPEGAVWGNIAWGHAVSRDLVHWTHLPLAMVPDQWYDINGVWTGSATILPDGQIVMLYTGATNESVQVQNLAVPADQSDTLLLRWKKSEANPILVPPPGIGDKDFRDPTTAWYEPSDDTWRIVIGSKDSSHSGIAIVYSTKDFINYKLIPGILHAVERVGMWECVDFYPVATADSSHANHGLDPSARPSPAVKHVLKASMDDDRHDYYAIGTYDPAQNTWVPDDASVDVGIGLRYDWGKFYASKTFYDHAKKRRILWSWIGETDSETADIAKGWASLQGVPRTVLLDVKTGSNLITWPVVEIESLRTRPRDFSGITVDAGSTFKLDVGGAAQLDIEAEFKISSEELEAVKEADVSYNCSSSGGAAERGVLGPFGLLVLANQDLTEQTATYFYVSRGMDGGLNTHFCQDEKRSSKASDIVKRIVGHSVPVLDGESFALRILVDHSIVESFAQGGRASATSRVYPTEAIYNNARVFVFNNATGAKVTAQSLKVWHMSTAINEIYDPATSVM,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7634279935629373,,s_034014fea1e6e39fae6aef70,test
catpreddb_km_km_60fdb2b4c410b8,catpred_iteration1_km,km,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0915956239734888,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_610e17b12c7a70,catpred_iteration1_km,km,A0A0G9FAZ1,A0A0G9FAZ1,MKRIGILTSGGDAPGMNAAVRAVAGKAMAEGLEAYGINYGFAGLVAGDIHKIEAADLDGVIQRGGTLLYSARYPEFAHEEGQLKGIEQLKRFGIDALVVIGGDGSYHGALRLTEHGYNTIGLPGTIDNDIPYTDFTIGFDTAVNTNVQALDRIYDTAHSHDRTFVVEVMGRGAGDVALWSGVSIGATAIVVPEVDWDMEEIANKIKHNRANGHRSNLIVLAEGVMGAQEFVEKLSEYGDFDARGNTIAHMQRGGNPTAKDRVMASKMGAYAVELLLAGKGGLAVGIQNNQLVNHNILDLFESKHDVEVSLDKLNEEISFK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1739251972991735,,s_f699f08dfdfd9e2679564995,test
catpreddb_km_km_611eaf5791842d,catpred_iteration1_km,km,O85596,O85596,MIIGVPKEIKNHEYRVGMIPASVRELISHGHQVFVETNAGAGIGFSDDDYIAVGASILPTAAEVFAQADMIVKVKEPQAVERAMLKEGQILFTYLHLAPDFPQTEDLIKSKAVCIAYETVTDNMGRLPLLAPMSEVAGRMSIQAGAQTLEKSHGGRGLLLGGVPGVEPAKVVIVGGGVVGANAARMAVGMRADVTILDRNIDTLRKLDEEFQGRAKVVYSTEDAIEKHVLAADLVIGAVLIPGAAAPKLVTKEHIAKMKPGAAVVDVAIDQGGCFETSHATTHADPTYIVDDVVHYCVANMPGAVARTSTFALNNATLPYIVKLANKGYREALLADHGFLEGLNVIHGKVTCKEVAEAFNLEYVQPETAIAMFN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7112541000813873,,s_5c4d41ee42fc307757c45309,test
catpreddb_km_km_61489210f528ae,catpred_iteration1_km,km,C1E5X2,C1E5X2,MAAASAGGKIQAAPMVYVAGEEMTRYTMDLILERWIKPHVDTSAWEFFDLRAKNRDDTEDQVLRDVISAGARLKAIFKEPTITPTADQVKRLGLKKAWGSPNGAMRRGWNGITISRDTIHIDGVELGYKKPVFFERHAVGGEYSAGYKIVGKGKLTTTFVPEAGGEPIVVDDRKITDDLNAVVAYHNPLDNVAHLARIFFGRCLDAGIVPYVVTKKTVFKWQEPFWESMKTVFDAEFKQKFYEKGVMKPGSELVHLLSDAATMKLVVWTDGGFGMAAHNYDGDVLTDELAQVHKSPGFITSNLVGVDDNGTLIKEFEASHGTVTDMDEARLRGEETSLNPLGMVEGLIGAMNHAADVHGGSSGVHPWTGKLRAVIHKLFREGRGTRDLCGAGGLTTEQFIDAVAEEL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.8996294548824371,,s_4e180c1f88f8ca9ca85fa1f7,test
catpreddb_km_km_6150620565ac34,catpred_iteration1_km,km,W8R465,W8R465,MRSLTWAACLALAGTAFAHAHHDHEEVPEHVREELLRKWDQEFTFSGIASFAHLKPVKCLIEPDERYDIAVIGAPFDTAVSYRPGARFGPRSIRAASARQMAGTSYNTRAGINPYASWATVKDCGDIPITPFDNGVAERQMYEAFLELGSRPALTSADSKYGTKGISAGKSKLVTLGGDHSVALPALRALYQIYQKPITVLHFDAHLDTWNPVRYSAYWTSEQAHFNHGSFFHKASREGLICNSTSAHAGLRTRLTGVDDSDYTNPGPEQGFMRIHADDIDDLGPMGIVNRIIERIGLDSDQPVYLSVDIDVLDPATAPGTGTPEPGGWTTREFIRILRGIEKLNIVGADIVEVSPSYDNKGETTALAAAQVAFEIITSMVKAGAGEELGGWYGRKETPVEETVVVEEGEDPVEKKEAKDEL,N=C(N)NCCCC(=O)O,N=C(N)NCCCC(=O)O,N=C(N)NCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_802fa9fafd8ecf30e0cac2da,test
catpreddb_km_km_615e0e27a421a4,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2,Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2,Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_6169805e61af1a,catpred_iteration1_km,km,P55772,P55772,MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1804560644581313,,s_1d6314abafdcf5412b30cbfd,test
catpreddb_km_km_6173b15543967e,catpred_iteration1_km,km,Q9FZ80,Q9FZ80,MESKTINDVVVSESNHELASSSPSEFEKNQKHYQEIIATLPHKDGWRPKDPFVEYGGHWWLQPLLEGLLHAQKFFKARPNDFFVCSYPKTGTTWLKALTFAIANRSKFDVSTNPLLKRNPHEFVPYIEIDFPFFPSVDVLKDEGNTLFSTHIPYDLLPESVVKSGCKIVYIWRDPKDTFVSMWTFAHKERSQQGPVVSIEEAFDKYCQGLSAYGPYLDHVLGYWKAYQANPDQILFLKYETMRADPLPYVKRLAEFMGYGFTKEEEEGNVVEKVVKLCSFETLKNLEANKGEKDREDRPAVYANSAYFRKGKVGDWQNYLTPEMVARIDGLMEEKFKGTGFLSSKS,OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](S/C(Cc2ccccc2)=N\O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_b47d79f0e22cf86dfe36ec07,test
catpreddb_km_km_618f91760cf4a4,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCCCCCC(O)=NC1CCOC1=O,CCCCCCCCCCCC(O)=NC1CCOC1=O,CCCCCCCCCCCC(O)=NC1CCOC1=O>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_6194d60e6c13ef,catpred_iteration1_km,km,Q8TCT0,Q8TCT0,MGATGAAEPLQSVLWVKQQRCAVSLEPARALLRWWRSPGPGAGAPGADACSVPVSEIIAVEETDVHGKHQGSGKWQKMEKPYAFTVHCVKRARRHRWKWAQVTFWCPEEQLCHLWLQTLREMLEKLTSRPKHLLVFINPFGGKGQGKRIYERKVAPLFTLASITTDIIVTEHANQAKETLYEINIDKYDGIVCVGGDGMFSEVLHGLIGRTQRSAGVDQNHPRAVLVPSSLRIGIIPAGSTDCVCYSTVGTSDAETSALHIVVGDSLAMDVSSVHHNSTLLRYSVSLLGYGFYGDIIKDSEKKRWLGLARYDFSGLKTFLSHHCYEGTVSFLPAQHTVGSPRDRKPCRAGCFVCRQSKQQLEEEQKKALYGLEAAEDVEEWQVVCGKFLAINATNMSCACRRSPRGLSPAAHLGDGSSDLILIRKCSRFNFLRFLIRHTNQQDQFDFTFVEVYRVKKFQFTSKHMEDEDSDLKEGGKKRFGHICSSHPSCCCTVSNSSWNCDGEVLHSPAIEVRVHCQLVRLFARGIEENPKPDSHS,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(C)O,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(C)O,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-1.6782736617569065,,s_b1b54eb27787779c9e44bed0,test
catpreddb_km_km_6195982c2a5c3c,catpred_iteration1_km,km,Q6KYX5,Q6KYX5,MVRYIPMGNGKILVSFNNDYNLTDFYFSKDMAENHSAGKPFRYGVSINDKFTWINASNIVSKDYYDHTMIGIVKYNINDVSFEDDNFVDIYEDVYARKIKITNKRKEKINVKLFFHQNFSIYGNNIGDTGFYYPDTNAIVHYKGRRYFIISTTDGKNSFDQYAIGIKDFNGMAGTWKDAEDNNLSMGPIAIGSVDSTIRHSIDIDPESQKELYYYIACARDLDTVLRINRNMSTGNLDRMMKRTENFWELWVSKSPLNLTAELNEMYKKSLFIIRSHINEKGAVMASSDSDILRSNMDSYYYSWPRDAGYAAISMIVSEHSDPAKLFFDFCINTISKDGYFYHKYNPDGKIASSWLPYIMDGKRILPIQEDESAIVIIAAWYYYSTNNDIEYISYLYERLIKRVAEFLYNFTYDNGLPKESFDLWEERFGIHTYTVASVYIALIYAANFAEIFNETDLARKYKSKADKMLESFEKMFYSDDLGYYARRIYNGDVDFVLDSSVLWLVIFGIKKPDDPRIVSTVKAIEKKLWVPGIGGIARYEGDYYQRISGKNIPGNPWIITTLWLADYYIMAGNTGRALELINWVVQHSEESGILSEQINPDNGEPISVSPLIWSHSQLVLTLKRYKDAIKNKGIQ,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.99563519459755,,s_312250e5a9c36387b6496788,test
catpreddb_km_km_61a8a5c5be8f9c,catpred_iteration1_km,km,O43029,O43029,MVKNTSVIIVGAGVFGLSAALELTKRGGYTIKILDRAPPPVIDGSSVDANRIIRSDYADAVYCSMGIDALEEWRTNPLFKEQFYGSGLMFVGRDNVEYRDMSLENLTKMGVSAAKFQTTEELRKLFPKWIGELNDGEAGYANFSSGWANAEQSVKSVVNYLAHAGVSFISGPEGTVEELITEENVVKGVRTTTGAYMAEKLIFATGAWTASLLPNDHTRFLATGQPVAYIKLTPEEYIRFLTNPVYLDFDTGFYIFPPTPDGYLKFARHGYGFTRMQNLKSGKVESVPPKKPLVSPILPKEAELDLRRNLQRTYGEEISQRPFYKTRICYYTDTADAEFVFDYHPDYENLFVCTGGSGHGFKFFPILGKYSIGCMFRELEEPLLKKWRWKKENLEFAALDHSRAGPSRQELS,O=C(O)C1CCCCN1,O=C(O)C1CCCCN1,O=C(O)C1CCCCN1>>,public_strict_iteration1_fulltrue_msa,,0.6095944092252201,,s_e3850c95d705cb07d284a503,test
catpreddb_km_km_61c159296051cb,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(O)ccc1O,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(O)ccc1O,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_61cd652cafaa3a,catpred_iteration1_km,km,Q9FM01,Q9FM01,MVKICCIGAGYVGGPTMAVIALKCPDIEVAVVDISVPRINAWNSDQLPIYEPGLDDIVKQCRGKNLFFSTDVEKHVREADIVFVSVNTPTKTTGLGAGKAADLTYWESAARMIADVSVSDKIVVEKSTVPVKTAEAIEKILMHNSKGIKFQILSNPEFLAEGTAIADLFNPDRVLIGGRETPEGFKAVQTLKEVYANWVPEGQIITTNLWSAELSKLAANAFLAQRISSVNAMSALCESTGADVTQVSYAVGTDSRIGSKFLNASVGFGGSCFQKDILNLVYICQCNGLPEVAEYWKQVIKINDYQKNRFVNRIVSSMFNTVSNKKVAILGFAFKKDTGDTRETPAIDVCKGLLGDKAQISIYDPQVTEEQIQRDLSMKKFDWDHPLHLQPMSPTTVKQVSVTWDAYEATKDAHAVCVLTEWDEFKSLDYQKIFDNMQKPAFIFDGRNIMNVNKLREIGFIVYSIGKPLDPWLKDMPAFV,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.3565473235138126,,s_cc8f51264cc8738c008b4521,test
catpreddb_km_km_61cef6b62d9a19,catpred_iteration1_km,km,Q9Y5Y6,Q9Y5Y6,MGSDRARKGGGGPKDFGAGLKYNSRHEKVNGLEEGVEFLPVNNVKKVEKHGPGRWVVLAAVLIGLLLVLLGIGFLVWHLQYRDVRVQKVFNGYMRITNENFVDAYENSNSTEFVSLASKVKDALKLLYSGVPFLGPYHKESAVTAFSEGSVIAYYWSEFSIPQHLVEEAERVMAEERVVMLPPRARSLKSFVVTSVVAFPTDSKTVQRTQDNSCSFGLHARGVELMRFTTPGFPDSPYPAHARCQWALRGDADSVLSLTFRSFDLASCDERGSDLVTVYNTLSPMEPHALVQLCGTYPPSYNLTFHSSQNVLLITLITNTERRHPGFEATFFQLPRMSSCGGRLRKAQGTFNSPYYPGHYPPNIDCTWNIEVPNNQHVKVRFKFFYLLEPGVPAGTCPKDYVEINGEKYCGERSQFVVTSNSNKITVRFHSDQSYTDTGFLAEYLSYDSSDPCPGQFTCRTGRCIRKELRCDGWADCTDHSDELNCSCDAGHQFTCKNKFCKPLFWVCDSVNDCGDNSDEQGCSCPAQTFRCSNGKCLSKSQQCNGKDDCGDGSDEASCPKVNVVTCTKHTYRCLNGLCLSKGNPECDGKEDCSDGSDEKDCDCGLRSFTRQARVVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPICLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)OC(C)(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.892823166919768,,s_b263b22b3360761991316e48,test
catpreddb_km_km_61ede084e243f3,catpred_iteration1_km,km,S5RVR8,S5RVR8,MKLHHLLLSLVPLAGSVYAQVAAPYVDSGNGFVFDGITDPVYHVSYGIVLPQATTSSEFIGEIVAPLDAKWIGLALGGAMIGDLLIVAWPNGNEIVSSTRYATAYQLPDVYEGPTITTLPSSLVNSTHWKFVFRCQNCTSWEGGGGIDPTGTGVFAWAYSSVGVDDPSDPNTTFQEHTDFGFFGINFPDAQNSNYQNYLQGDAGTPPPTSTPTGPTTTTTPTGPTVSATPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTAQTGGTYDAPWAKSANLTKFDIPGLFESMFTDPNPWWWCKDTNFFAGCLLGGGTSVNGALYWLPTDSDFSSQNGWPTSWGNHQPYTTKLKQRLPSTDHPSTDGQRYLEQSATVVSQLLSGQGYQQITINDNPDYKDHVYGYSAFDFINGQRAGPVATYLQTALARSNFVYKDYTLVSQVLRNGSTITGVRTNNTALGPNGIVPLNPNGRVILAAGSFGTPRILFQSGIGPTDQIQTVESNPTAAANLPPQSDWINLPVGQAVSDNPSINLVFTHPSIDAYENWADVWSDPRPADAQQYLQSRSGVFAGASPKLNFWRAYGGSDGKTRYAQGTVRPGAASVNTSVAYNASQIFTITVYLSEGITSRGRLGVDAALNMKAVTNPWLTDPVDKTVLLQALHDVVSNINSVPGLTMITPDHTQTIEEYVAAYDPATMCSNHWVGAAKIGSSPSTAVVDENTKVFNTDNLFIVDASIIPALPVGNPHGMLMSAAEQAAAKILALAGGP,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.7831886910752577,,s_540537e487379d25dd5c36c3,test
catpreddb_km_km_61efc7cc39afb9,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,NC(=O)C(=O)O,NC(=O)C(=O)O,NC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.6919651027673603,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_6211f5e7d48cde,catpred_iteration1_km,km,A0A0P0ISK8,A0A0P0ISK8,MSKSIARMTIDPQYQLADVDPRLFGSFIEHLGRAVYGGIYEPDHPSADEMGFRQDVLELVRELQVPIVRYPGGNFVSGYRWEDGVGPLASRPAQLDLAWRSLEPNRVGVNEFVEWAKRANSEVMMAVNLGTRGIDEAKQIVEYCNHPGGSYWSDLRKSHGYEQPHGIKVWCLGNEMDGPWQIGHKTAEEYGRIAEEAAKVMKWVDPSIELVACGSSGSKMPTFPDWERIVLEHTYDHVEYISMHSYYGNRENDLATYLAQSLDMDHFIRSVIATCDYVKAKKRSKKTINISFDEWNVWFHSNEADKQVAPWQVGPPLLEDVYTFEDALVVGCLLITLLRHADRVKMACLAQLVNVIAPIMTENGGVSWKQTIYYPFLHASRYGRGKVMHCSLQSPKYDCKEFTDVPLVESVAVWNQDIAELTIFAVNRSQDGGIELECDIRGFAQASVIEHTVLVHSDLKAANTKEEPQEVIPQHAQGAKVDGGLLFAPLPKLSWNVIRLRV,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3372421683184259,,s_abce955d3d9452e2c62d6ebd,test
catpreddb_km_km_624a3580ea386d,catpred_iteration1_km,km,Q9M0A7,Q9M0A7,MVEQKRYALFLATLDSEFVKKTYGGYHNVFVTTFGDEGEHWDSFRVVSGEFPDEKDLEKYDGFVISGSSHDAFENDDWILKLCDIVKKIDEMKKKILGICFGHQIIARVRGGTVGRAKKGPELKLGDITIVKDAITPGSYFGNEIPDSIAIIKCHQDEVLVLPETAKVLAYSKNYEVEMYSIEDHLFCIQGHPEYNKEILFEIVDRVLALGYVKQEFADAAKATMENRGADRKLWETICKNFLKGRVPTN,N[C@@H](CCC(O)=N[C@@H](CS/C(Cc1ccccc1)=N\O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS/C(Cc1ccccc1)=N\O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS/C(Cc1ccccc1)=N\O)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_1ea6016272b87c5d1908d45f,test
catpreddb_km_km_6262041a2fb0d0,catpred_iteration1_km,km,O58762,O58762,MMYEVKEFSSGKRKLEDYKSIIGEEEVSKIQEKAEKLKGRSFVHVNSTSFGGGVAEILHSLVPLLRSIGIEARWFVIEGPTEFFNVTKTFHNALQGNESLKLTEEMKELYLNVNRENSKFIDLSSFDYVLVHDPQPAALIEFYEKKSPWLWRCHIDLSSPNREFWEFLRRFVEKYDRYIFHLPEYVQPELDRNKAVIMPPSIDPLSEKNVELKQTEILRILERFDVDPEKPIITQVSRFDPWKGIFDVIEIYRKVKEKIPGVQLLLVGVMAHDDPEGWIYFEKTLRKIGEDYDVKVLTNLIGVHAREVNAFQRASDVILQMSIREGFGLTVTEAMWKGKPVIGRAVGGIKFQIVDGETGFLVRDANEAVEKVLYLLKHPEVSKEMGAKAKERVRKNFIITKHMERYLDILNSLGG,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6627578316815741,,s_b56cd5fa27e9ce7ce979b00d,test
catpreddb_km_km_62723bc5684742,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C(C(=O)CO)CCC12,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C(C(=O)CO)CCC12,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C(C(=O)CO)CCC12>>,public_strict_iteration1_fulltrue_msa,,-3.309175457166108,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_629c7b768b9e3a,catpred_iteration1_km,km,C5AQP6,C5AQP6,MVLTRFPRVALTDGPTPIRSLDRLSTHLGPELNGVRLFVKRDDIGPVGLGGNKLRKLEFLLGQALAERADTVITVGALQSNHARLTAASAARMGLACELFLTRSVPREDADYTANGNRLLQDLFGAHVHLLPGEADSLAQAEARAEELRAEGRRVHVFPSGGSSPLGCLGYAACAAEILEQAANLGLAFARIVVPNGSSGTHAGLAAGLAAAGRDPHLAQSYTVLAPEPEAAAATLARARDTLALIDGSQTLADDAILVDGAHRGPGYGIPTEGMREAVRLMARTEGLLLDPVYSGKAFAGLLHDVRAGRYERGAAVLFVMTGGVPGLFAYRSEF,N[C@H](CS)C(=O)O,N[C@H](CS)C(=O)O,N[C@H](CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3372421683184259,,s_bc0e7b5fe0c35dc705bfdeb9,test
catpreddb_km_km_62a9561d48c3f7,catpred_iteration1_km,km,P26150,P26150,MPGWSCLVTGAGGFLGQRIIQLLVQEKDLEEIRVLDKVFKPETREQFFNLGTSIKVTVLEGDILDTQYLRRACQGISVVIHTAAIIDVTGVIPRQTILDVNLKGTQNLLEACIQASVPAFIFSSSVDVAGPNSYKDIVLNGHEDEHRESTWSDPYPYSKKMAEKAVLAANGSMLKNGGTLQTCALRPMCIYGERSQFLSNTIIKALKNKFILRGGGKFSTANPVYVGNVAWAHILAARGLRNPKKSPNIQGEFYYISDDTPHQSYDDLNYTLSKEWGFCLNSRWYLPVPILYWLAFLLETVSFLLSPIYRYIPPFNRHLVTLTASTFTFSYKKAQRDLGYEPLVSWEEAKQKTSEWIGTLVEQHRETLDTKSQ,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2O>>,public_strict_iteration1_fulltrue_msa,,-3.337242168318426,,s_5c7361b46f468ad26b6179a2,test
catpreddb_km_km_62be14788f0636,catpred_iteration1_km,km,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_731307d31ab453cb17afec38,test
catpreddb_km_km_62c8b6b3e3f9c9,catpred_iteration1_km,km,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C/C(=C\Cc1c(C)c(O)c2ccccc2c1O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.7643541444705304,,s_758b68a2c36468550d799726,test
catpreddb_km_km_62cdb7bf9af7bc,catpred_iteration1_km,km,Q9MV14,Q9MV14,MAAMVDAKPAASVQGTPLLATATLPVFTRGIYSTKRITLETSSPSSPPPPKPLIIVTPAGKGTFNVILFLHGTSLSNKSYSKIFDHIASHGFIVVAPQLYTSIPPPSATNELNSAAEVAEWLPQGLQQNLPENTEANVSLVAVMGHSRGGQTAFALSLRYGFGAVIGLDPVAGTSKTTGLDPSILSFDSFDFSIPVTVIGTGLGGVARCITACAPEGANHEEFFNRCKNSSRAHFVATDYGHMDILDDNPSDVKSWALSKYFCKNGNESRDPMRRCVSGIVVAFLKDFFYGDAEDFRQILKDPSFAPIKLDSVEYIDASSMLTTTHVKV,C=Cc1c(C)c2n3c1C=C1N=C(C=c4c(C)c5c(n4[Mg]3)=C(C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C(=O)OC)C5=O)C(CC)=C1C,C=Cc1c(C)c2n3c1C=C1N=C(C=c4c(C)c5c(n4[Mg]3)=C(C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C(=O)OC)C5=O)C(CC)=C1C,C=Cc1c(C)c2n3c1C=C1N=C(C=c4c(C)c5c(n4[Mg]3)=C(C3=NC(=C2)C(C)C3CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C(=O)OC)C5=O)C(CC)=C1C>>,public_strict_iteration1_fulltrue_msa,,-2.75448733218585,,s_c8cbe94e0e494c43010fcab3,test
catpreddb_km_km_62d41f8a6631b7,catpred_iteration1_km,km,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_62e369d0c7bf8b,catpred_iteration1_km,km,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_km_km_62e6d0ff781cee,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C\CO,CC(C)=CCC/C(C)=C\CO,CC(C)=CCC/C(C)=C\CO>>,public_strict_iteration1_fulltrue_msa,,-0.790484985457369,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_62ee6674b6acde,catpred_iteration1_km,km,Q9MYU4,Q9MYU4,MEDRRESELKTFCSKNILVILGFSSIIAVIALLALGLTQNKPLPENVKFGIVLDAGSSHTSLYIYKWPAEKENDTGVVSQVEECKLKGPGISEFAKKLGEIDIYLEACMERARTVVPKSQHAETPVYLGATAGMRLLRMKNENLASKILSTVAESITRYPFDFQGARIITGQEEGAYGWITINYLLDKFIQKSGWFNLKPRKGDTQETYGALDLGGASTQITFVPQNQVLESPENTLHFRLYGKNYSVYTHSFLCYGKDQALLQKLTKDLKNTNGTIHEPCFHSGYQRRMNVSHLYEAPCTRRFLTSLPFPELEIQGTGDFQKCQQSIRPLFNTSYCPYSRCSFDGVFLPLPQGDFAAFSAFYYVMGFLNLTSEEGSFQSKVTSTLEAFCSRPWAELQMYFGDVKEKYLSEYCFSGTYILTLLLSGYHFTAETWKNIHFMGKVQSTSVGWTLGYMLNLTNMIPSEEPSSTRLSHSTYVFLMVLFSLILVIVVIIGLFVCHRPSYFWKDMV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.601214161993494,,s_9a0e07b7012bc1cc9b27b550,test
catpreddb_km_km_62fb6cbf8a7dc7,catpred_iteration1_km,km,Q5TCS8,Q5TCS8,MTSQEKTEEYPFADIFDEDETERNFLLSKPVCFVVFGKPGVGKTTLARYITQAWKCIRVEALPILEEQIAAETESGVMLQSMLISGQSIPDELVIKLMLEKLNSPEVCHFGYIITEIPSLSQDAMTTLQQIELIKNLNLKPDVIINIKCPDYDLCQRISGQRQHNNTGYIYSRDQWDPEVIENHRKKKKEAQKDGKGEEEEEEEEQEEEEAFIAEMQMVAEILHHLVQRPEDYLENVENIVKLYKETILQTLEEVMAEHNPQYLIELNGNKPAEELFMIVMDRLKYLNLKRAAILTKLQGAEEEINDTMENDELFRTLASYKLIAPRYRWQRSKWGRTCPVNLKDGNIYSGLPDYSVSFLGKIYCLSSEEALKPFLLNPRPYLLPPMPGPPCKVFILGPQYSGKTTLCNMLAENYKGKVVDYAQLVQPRFDKARETLVENTIAEATAAAIKVVKEKLLRELQARKQAETALREFQRQYEKMEFGVFPMEATHSSIDEEGYIRIIIVGPPKSGKTTVAKKITSEYGLKHLSIGGALRYVLNNHPETELALMLNWHLHKGMTAPDELAIQALELSLMESVCNTAGVVIDGYPVTKHQMNLLEARSIIPMVIFELSVPSKEIFKRLLLEKENEQRLPYPLHNSAQIVAVNNVKYRKNIGEIRQYYQEQHQNWYVIDGFHSKWWVWNEVIKNVQMVNKYMQTYLERIKAGKAACIDKLCITPQELLSRLGEFEQFCPVSLAESQELFDCSATDSLEFAAEFRGHYYKMSSQEKLNKFLENPELYVPPLAPHPLPSADMIPKRLTLSELKSRFPKCAELQGYCPVTYKDGNQRYEALVPGSINYALEYHNRIYICENKEKLQKFLRSPLKYWEQKLPHKLPPLREPILLTSLPLPGYLEQGIATSLIKAMNAAGCLKPKFPFLSIRRSALLYIALHLKAFNPKGSEYTRKKYKKKMEQFMESCELITYLGAKMTRKYKEPQFRAIDFDHKLKTFLSLRNIDPING,Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.0268721464003013,,s_5769cc0d347788c6f3637827,test
catpreddb_km_km_62fe5c0ccd66e2,catpred_iteration1_km,km,A0A2U9N624,A0A2U9N624,MGSESLVHVFLVSFIGQGHVNPLLRLGKRLAAKGLLVTFCTAECVGKEMRKSNGITDEPKPVGDGFIRFEFFEDRWAEDEPMRQDLDLYLPQLELVGKEVIPEMIKKNSEQGRPVSCLINNPFIPWVCDVAESLGLPSAMLWVQSAACLAAYYHYYHGLVPFPSESDMFCDVQIPSMPLLKYDEVPSFLYPTSPYPFLRRAILGQYGNLEKPFCILMDTFQELESEIIEYMACLCPIKAVGPLFKNPKAQNAVRGDFMKADDSIIGWLDTKPKSSVVYISFGSVVYLKQEQVDEIAHGLLSSGVSFIWVMKPPHPDSGFELLVLPEGFLEKAGDRGKVVQWSPQEKILEHPSTACFVTHCGWNSTMESLTSGMPVVAFPQWGDQVTDAKYLVDEFKVGVRMCRGEAEDRVIPREEVEKCLLEATSGPKAAEMKQNALKWKAAAEAAFSEGGSSDRNLQAFVDEVRRISASLNSKSSAVGYVKSKINGVVEYVDSKLNGKAAPVEGAKTRTNGIAKVEEPKAANGKVEIAELTPINGKVEIAGLKPINGKVELVES,O=C(O)c1cc(O)c(O)c(O)c1,O=C(O)c1cc(O)c(O)c(O)c1,O=C(O)c1cc(O)c(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6345120151091003,,s_6a314246aab04833071d364b,test
catpreddb_km_km_6300f8902dcd56,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCCCNCCCN,NCCCCNCCCN,NCCCCNCCCN>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_6301932c19df1a,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.7781512503836436,,s_27293a9716281920c2a47964,test
catpreddb_km_km_630d78ea81b08c,catpred_iteration1_km,km,A9A1Y1,A9A1Y1,MTDSPILSPKSIAVIGASDKRGSVGATITSNIMNGFKGTVYPISPTRDTVFYKKAYKSVLDVPKSIDLAVIVIKNTLVTPVLEECGKKKIKGVIIITAGFKEVDEEGAKREQQVIDIAKKYNMQVVGPNCLGVMNLDSKTMMNSTFLKVTPKSGKIALVSQSGAICAALVEDASAQGIGFSAVVSLGNKAVMSEVDVLKILANHKQTEVIVMYLEDMGDGQEFLKVCKNITKKLKKPVLVLKSGRSPEGAKAAMSHTGALMGSDEIYDALLKQSGAIRVDTMEELFDYATAFSKQPLPSNGDLVIVSNAGGPAIISTDACSKAKIKMADITSIRKKIDEVIPPWGSSRNPVDIVGDADFNRFHNVLDRVLKHPKVGSVISMCTPSGTLNYDKLAEVIVEMSKKYKKTMLASLMGLDEGVTNREILADGNVPYYTYAEGAIRTLAAMIRFSDWVKSSPGKITKFKVNKAKAKKIFDQVKKEKRPNLLEEEGQEVLKAYGLPLPKSTLAKNEAEAVKAAKKIGYPVVMKIASPQIIHKSDAGGVKVNLTNDAEVKDAFKTIVKNAKKYNKKAEIKGVLIVEMVKGGKELIIGSKLEPGFGPVIMLGMGGIYVEVLKDVTFKLAPVTDKEADDMIASIKTQKLLQGVRGEKPSDIVKLSECIQRLSQLVSDFKEIKELDMNPVLVMEKGKGCRILDVRIGL,CCCC(=O)O,CCCC(=O)O,CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6989700043360189,,s_f1f5a52277c04678b561d2de,test
catpreddb_km_km_63314e87b5395b,catpred_iteration1_km,km,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,COC1=CC(=O)C=CC1=O,COC1=CC(=O)C=CC1=O,COC1=CC(=O)C=CC1=O>>,public_strict_iteration1_fulltrue_msa,,-2.619788758288394,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_km_km_6332b2fbf7e6cc,catpred_iteration1_km,km,P82450,P82450,MVSPRPVGLMLLLIIARVSRGAGIGFRFASYIDNYMVLQKEPSGAVIWGFGTAGATVTVTLCQGQETIMKKVTSVKGPSNTWMVVLDPMKPGGPFEVMAQQTLETTNLTLRVHDVLFGDVWLCSGQSNMQMTVLQIFNASKELSDTAAYQSVRIFSVSLTQAEEELADLDGVDLSWSKPTAGNLGHGNFTYMSAVCWLFGRYLYDTLQYPIGLVSSSWGGTPIEVWSSRRALKACGVPNTRDERVLQPEIKPMRNGCESKESSCPFRRFVPCDPVAGPATHSVLWNAMIHPLQNMTLKGVVWYQGENNANYNRDLYACMFPALIAGWRQTFHSGCQGQTERFFPFGFVQLSSYLLMNSSDYGFPEIRWHQTADFGSVPNPKMPNTFMAVAMDLCDRDSPFGSIHPRDKQTVAYRLHLGARAVAYGEKNLTFQGPLPKKIELLARNELLNLTYDQEIQVQRKDNKTFEISCCSDHQCKWLPAPVNTFSTQTLILDLSACLGTVDAVRYAWTTWPCEYKQCAVYHTSSVLPAPPFTARITHRGI,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@]34CCC(=O)O4)[C@@H]21,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@]34CCC(=O)O4)[C@@H]21,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@]34CCC(=O)O4)[C@@H]21>>,public_strict_iteration1_fulltrue_msa,,-0.1857524042680797,,s_7ebacc96063747ffb7e0b7cf,test
catpreddb_km_km_6355b93c1b04b5,catpred_iteration1_km,km,A8IW39,A8IW39,MQLNVRSTASGARSSTRSRRMTAVVQAVAQRAGTIDVQRNENFGKLRAGYLFPEIARRRKAHQEKNPDAKIISLGIGDTTEPLPKYIADAMAKAAAGLATREGYSGYGAEQGQGALREAVASTFYGHAGRAADEIFISDGSKCDIARIQMMFGSKPTVAVQDPSYPVYVDTSVMMGMTGDHNGTGFDGIEYMVCNPDNHFFPDLSKAKRTDIIFFCSPNNPTGAAATRAQLTELVNFARKNGSILVYDAAYALYISNPDCPKTIYEIPGADEVAIETCSFSKYAGFTGVRLGWTVVPKALKYANGEPVHADWNRVMTTCFNGASNIVQAGGLACLQPEGLKEMNAMIKFYKENAQILKTTFTEMGFSVYGGDDAPYIWVGFPGKPSWDVFAEILERCNIVTTPGSGFGPAGEGFVRASAFGSRENILEAVRRFKEAYGKRN,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_2105e8461c2d2ae046198893,test
catpreddb_km_km_63617c5707cfbc,catpred_iteration1_km,km,P97608,P97608,MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEEGVLLPRGRPLDTSRIASIRMGTTVATNALLERQGERVALLVTRGFRDLLHIGTQARPDLFDLAVPMPEVLYEEVLEVDERVVLYRGEPGAGSPVKGRTGDLLEIQQPVDLEALRGKLEGLLSRGIHSLAVVLMHSYTWAQHEQQVGTLARELGFTHVSLSSEVMPMVRIVPRGHTACADAYLTPTIQRYVQGFRRGFQGQLKNVQVLFMRSDGGLAPMDAFSGSRAVLSGPAGGVVGYSATTYHLEGGQPVIGFDMGGTSTDVSRYAGEFEHVFEASTAGVTLQAPQLDINTVAAGGGSRLFFRSGLFVVGPESAGAHPGPACYRKGGPVTVTDANLVLGRLLPASFPCIFGPGEDQPLSPEASRKALEAVAMEVNSFLTNGPCPASQLSLEEVAMGFVRVANEAMCRPIRALTQARGHDPSAHVLACFGGAGGQHACAIAIPVHLGAMQETVQFQIQHLGADLHPGDVLLSNHPSAGGSHLPDLTVITPVFWPGQTRPVFYVASRGHHADIGGITPGSMPPHSTTLQQEGAVFLSFKLVQGGVFQEEAVTEALRAPGKISGCSGTRNLHDNLSDLRAQVAANQKGIQLVGELIGQYGLDVVQAYMGHIQANAELAVRDMLRAFGTSRQARGLPLEVSAEDHMDDGSPICLRVQINLSQGSAVFDFTGSGSEVFGNLNAPRAITLSALIYCLRCLVGRDIPLNQGCLAPVRVIIPKGSILDPSPEAAVVGGNVLTSQRVVDVILGAFGACSASQGCMNNVTLGNARMGYYETVAGGAGAGPGWHGRSGVHSHMTNTRITDPEILESRYPVILRRFELRPGSGGRGRFRGGDGVVRELVFREEALLSVLTERRAFQPYGLHGGEPGARGLNLLIRKDGRTVNLGGKTSVTVYPGDVFCLHTPGGGGYGDPEDPAPPPGSPPLFPAFPERGSVFEYRRAQEAV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9285620341918668,,s_1bc53897037525803578d594,test
catpreddb_km_km_638f3ccfa93c9f,catpred_iteration1_km,km,Q9SC14,Q9SC14,MEESMKQASVMENLRSVVFKESESLEGTCAKIRGYDFNNGIDYSQILKSMVSTGFQASNLGDAIETVNQMLDWRLSHEQVTEDCSQEEKNPTYRESIKCKIFLGFTSNLISSGVRDIIRYLVQHHMVDVIVTTTGGIEEDLIKCLADTFKGEFSLPGAELRSKGLNRIGNLLVPNDNYCKFEDWIIPIFDQMLEEQKAKNVLWTPSKLIMRLGKEINNESSYLYWAYKNDIPVFCPGLTDGSLGDMLYFHTFRNPGLIVDVVQDIRAINSEAVHANPRKTGMIILGGGLPKHHICNANMMRNGADYAVFINTAQEFDGSDSGARPDEAVSWGKIRGSAKSVKVHCDATIAFPLLVAETFAAKREQSAEPSS,NCCCCN,NCCCCN,NCCCCN>>,public_strict_iteration1_fulltrue_msa,,-0.2833620162325232,,s_7475cd261f8d4e44a637ab04,test
catpreddb_km_km_63bb79c82ee814,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.458420756053419,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_63c74a572bdb77,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7665661898229454,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_63ce9c18dca772,catpred_iteration1_km,km,O63067,O63067,MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6108339156354675,,s_d215edcf3d0b04ec0a52bce0,test
catpreddb_km_km_63ed786c8d070e,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.904215409095084,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_63edacfae94bf6,catpred_iteration1_km,km,Q2BN77,Q2BN77,MSNTYSLVNPFDNSPLGEYEYTPWATLENQLAMLKEGQLSQRKTAAFQRAGVLNKLAALLKEHSEEMATLITQETGKTILDSRVEMMRAYNAAIASAEEARQIQGESLDSDAYAPAGGKIGVVCWKPLGTILCITPFNFPINIAIHKIGPAYAAGNTILFKPGPQNTASAQLLVKLCYEAGMPENTLQLCMPEFSDLDRLNAHPDVNAINFTGGTAAANAISAAAGYKKLLLELGGNDPLIVMDDGDLEAATTAAINHRFATAGQRCTAAKRLFIHANVYEAFRDLLVEKSSKLVVGDPMKDDTFVGPVINQGAADQIRTLIEQAIEDGASVALGNQYEGAFVYPTILENVSPTSEIMVEEAFGPVMPLYKFESVEEIIPIINNTAYGLQAGVFSQNLATIKELYEQLDVGTLAANDGPGFRTEHFPFGGVKESGIGREGIKYAIREMSYTKTLVI,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.6532125137753437,,s_24ad5faa75eb0d1e815ab19b,test
catpreddb_km_km_6404ab4ffa2bf9,catpred_iteration1_km,km,Q643R3,Q643R3,MSQGSPGDWAPLDPTPGPPASPNPFVHELHLSRLQRVKFCLLGALLAPIRVLLAFIVLFLLWPFAWLQVAGLSEEQLQEPITGWRKTVCHNGVLGLSRLLFFLLGFLRIRVRGQRASRLQAPVLVAAPHSTFFDPIVLLPCDLPKVVSRAENLSVPVIGALLRFNQAILVSRHDPASRRRVVEEVRRRATSGGKWPQVLFFPEGTCSNKKALLKFKPGAFIAGVPVQPVLIRYPNSLDTTSWAWRGPGVLKVLWLTASQPCSIVDVEFLPVYHPSPEESRDPTLYANNVQRVMAQALGIPATECEFVGSLPVIVVGRLKVALEPQLWELGKVLRKAGLSAGYVDAGAEPGRSRMISQEEFARQLQLSDPQTVAGAFGYFQQDTKGLVDFRDVALALAALDGGRSLEELTRLAFELFAEEQAEGPNRLLYKDGFSTILHLLLGSPHPAATALHAELCQAGSSQGLSLCQFQNFSLHDPLYGKLFSTYLRPPHTSRGTSQTPNASSPGNPTALANGTVQAPKQKGD,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_2fe1fdc4f11d57a64126c288,test
catpreddb_km_km_64070ed5d560c6,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,O=Cc1ccccc1[N+](=O)[O-],O=Cc1ccccc1[N+](=O)[O-],O=Cc1ccccc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.958607314841775,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_64405917f7fcd0,catpred_iteration1_km,km,C3SVM7,C3SVM7,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_km_km_64416ccae17850,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_6460b534cd75d4,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2472500709936283,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_646f594ba836d7,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_649371a3342595,catpred_iteration1_km,km,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.882728704344236,,s_75fd08e1a005c55cbd677978,test
catpreddb_km_km_649e32917a0289,catpred_iteration1_km,km,Q9NPF2,Q9NPF2,MKPALLEVMRMNRICRMVLATCLGSFILVIFYFQSMLHPVMRRNPFGVDICCRKGSRSPLQELYNPIQLELSNTAVLHQMRRDQVTDTCRANSATSRKRRVLTPNDLKHLVVDEDHELIYCYVPKVACTNWKRLMMVLTGRGKYSDPMEIPANEAHVSANLKTLNQYSIPEINHRLKSYMKFLFVREPFERLVSAYRNKFTQKYNISFHKRYGTKIIKRQRKNATQEALRKGDDVKFEEFVAYLIDPHTQREEPFNEHWQTVYSLCHPCHIHYDLVGKYETLEEDSNYVLQLAGVGSYLKFPTYAKSTRTTDEMTTEFFQNISSEHQTQLYEVYKLDFLMFNYSVPSYLKLE,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.173393743112328,,s_7b855c34f25982576878af12,test
catpreddb_km_km_64ad6d35aa51a1,catpred_iteration1_km,km,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_156ab3956782e3458257c298,test
catpreddb_km_km_64c0bf85a03eb9,catpred_iteration1_km,km,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_7339ebca9bb234fe98b49268,test
catpreddb_km_km_64c96defa32c15,catpred_iteration1_km,km,Q8KFI2,Q8KFI2,MTKAQHPGATPVDLSFTRYVHSVNAFSPLFSCRRSICDATVLRRCCFLLYFRNNCNFKLLASSPVAFDWQREGIKQTQCMKILFGVQGTGNGHISRSRELVRKLKEDGHEVQVIISGRKEEELREIEVFAPYKVLKGFTLVTRRGKMSYMETMFQLDFVSLWTDVLSLDTSCVDLVITDFEPVTSMAARFKGIVSVGFGHQYAFPFHIPIARGNLFEKYTLLNFAPARYNAGLHWDHFNQPIFPPVIPQTLYDAVRPEEDPQKILVYLPFEEVEDIDAFLRPFDAYRFFIYGKVKEDRDDGHLCFRGYSREGFLRDLMECSGVVCNAGFELPGEALHLGKKMLLRPLDGQIEQESNALAMVQLGYGMSMHTLDGEVLKEWFAMPPGKPLNYSRTVDYIAEWIASGRWNDLRVFTDAAWKDHCREESKS,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.7375489102695705,,s_668bce8d92e6f89e9d7efbba,test
catpreddb_km_km_64dd1f0708e5b8,catpred_iteration1_km,km,A0A1K0J4C6,A0A1K0J4C6,MTVFLNHIDGEWTACQSGRTFDNVNPADTADIVGRFQASSAIDAQAAVAAAAAAFAGWKKTPVGKRAAILNRAADHLEANADSIAAELTREEGKALALARDEVLRSAQTLRFYAVEGQTFTGEVYPNDDPDQLVYSQREPLGVVTVIAPWNFPVSIPARKIAPALVTGNTVVFKPSSEAPLSGYRLAEALVKAGLPKGVLNFITGSAAEIGAAITEAPAVRAISFTGSSRAGEQIHRAVPLTTRTQMELGGKNPLIVMEDADLDRAVDLTIKGGFSLSGQACTGTSRVLVAESVKAAYTERLLAKVATLKIGSGMTAGMDLGPLASHKQLETVLRYIDIGQSEATLLCGGARLAGGDFDKGYYVAPTVFTDVTQQMRIAREEIFGPVIAILGFADYADAIAKANDTEYGLAASIVTSNPRYIHHFATDIEAGTVKVNRTTTGNLVNAPFGGVKRSSTSTFRESGRTGLEFYTQVKTVYRGA,CC=O,CC=O,CC=O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_e63688b1397699479241a473,test
catpreddb_km_km_64fad7d499de42,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,O=C1Nc2ccccc2C1=O,O=C1Nc2ccccc2C1=O,O=C1Nc2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-3.096910013008056,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_65003eec964a2e,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_6503d6f4f730c8,catpred_iteration1_km,km,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9100176594342564,,s_d41fba0c5b340501d312a097,test
catpreddb_km_km_650aa44a8a45f9,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CC(C)C[C@H](N=C(O)[C@H](N)C(C)C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)C[C@H](N=C(O)[C@H](N)C(C)C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)C[C@H](N=C(O)[C@H](N)C(C)C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_6512f8a76cff48,catpred_iteration1_km,km,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_km_km_6545f663e88bb3,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.5648800051802749,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_65510992f9f118,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1770951865061594,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_655682ced15040,catpred_iteration1_km,km,O63067,O63067,MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,1.3820170425748683,,s_d215edcf3d0b04ec0a52bce0,test
catpreddb_km_km_6559cd5e334331,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.234772078207662,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_656335befe804b,catpred_iteration1_km,km,P52910,P52910,MTIKEHKVVYEAHNVKALKAPQHFYNSQPGKGYVTDMQHYQEMYQQSINEPEKFFDKMAKEYLHWDAPYTKVQSGSLNNGDVAWFLNGKLNASYNCVDRHAFANPDKPALIYEADDESDNKIITFGELLRKVSQIAGVLKSWGVKKGDTVAIYLPMIPEAVIAMLAVARIGAIHSVVFAGFSAGSLKDRVVDANSKVVITCDEGKRGGKTINTKKIVDEGLNGVDLVSRILVFQRTGTEGIPMKAGRDYWWHEEAAKQRTYLPPVSCDAEDPLFLLYTSGSTGSPKGVVHTTGGYLLGAALTTRYVFDIHPEDVLFTAGDVGWITGHTYALYGPLTLGTASIIFESTPAYPDYGRYWRIIQRHKATHFYVAPTALRLIKRVGEAEIAKYDTSSLRVLGSVGEPISPDLWEWYHEKVGNKNCVICDTMWQTESGSHLIAPLAGAVPTKPGSATVPFFGINACIIDPVTGVELEGNDVEGVLAVKSPWPSMARSVWNHHDRYMDTYLKPYPGHYFTGDGAGRDHDGYYWIRGRVDDVVNVSGHRLSTSEIEASISNHENVSEAAVVGIPDELTGQTVVAYVSLKDGYLQNNATEGDAEHITPDNLRRELILQVRGEIGPFASPKTIILVRDLPRTRSGKIMRRVLRKVASNEAEQLGDLTTLANPEVVPAIISAVENQFFSQKKK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_9681fa7c587225c789308788,test
catpreddb_km_km_65707709e8916a,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_f28c949d1503440bae214094,test
catpreddb_km_km_6570f403100aeb,catpred_iteration1_km,km,A0A1A6GB48,A0A1A6GB48,MTANAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIIDINTAKTEGDAIDLSHALAFTSPKKIYSASYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINREVVTQIVDSGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVKNNPDVDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVYMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKDILDEAFAKLDAE,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2741332725853726,,s_6a522ceae28ae67fd03287b1,test
catpreddb_km_km_6586486c14ba6d,catpred_iteration1_km,km,P04181,P04181,MFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTILSF,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,Cc1ncc(COP(=O)(O)O)c(C=O)c1O>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_58788980d9e3f8d588063d04,test
catpreddb_km_km_65a57ad28b576c,catpred_iteration1_km,km,P06621,P06621,MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK,CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CN1c2c(nc(N)[nH]c2=O)NCC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_cca19f92ad8b55dce8e4e7cc,test
catpreddb_km_km_65a76e394bd92a,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)c1ccccc1I,O=C(O)CN=C(O)c1ccccc1I,O=C(O)CN=C(O)c1ccccc1I>>,public_strict_iteration1_fulltrue_msa,,0.5314789170422551,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_65bdc0d11e6e37,catpred_iteration1_km,km,Q60154,Q60154,MADEIFDLIVLGAGPGGYVGAIRAAQLGMKVAVVESRPTLGGVCLNEGCIPSKALLDSSEHFALARDKFDMHGIEIPAPKLNLAKMMERKEGVVSDLTGGIAFLFKKNKVTWIKGRGKLLGAGGDGLQQVEVTGKNAGVVKGKNVLLATGGKVAQVPGITVDNDVIIDNVGALSIDKVPEHLMIIGAGYIGLELGSVWLRLGSKVTVVEMLPKMLPKTDADTTQALQRSLKKQGMTFNMGTTVGGIEVSGGKATVKLVKNDKEKEVVCDKVLMSIGRKPNTDGLGLEELGVEMGERGTIKVDDNYATNVPGIYAIGDLIPGPMLAHKASEEAVVFVERLVGKNSEVHYGTIPGVCYTWPEVASVGKTEQQLQEEGTPVKVGKFNFVGNGRARAMAETEGFVKIIAHAENGQVLGVHIFGPRASDMIAEAVAVMSYGGTAHDIGAMFHGHPTLSEAVKEAALDVDGAAVHC,N=C(O)CCCCC(S)CCS,N=C(O)CCCCC(S)CCS,N=C(O)CCCCC(S)CCS>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_d02c2fdf8b0ae996ba178ff8,test
catpreddb_km_km_65cc5f7371f934,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-1.6716203965612624,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_65d60ccad0d633,catpred_iteration1_km,km,P0A6X1,P0A6X1,MTLLALGINHKTAPVSLRERVSFSPDKLDQALDSLLAQPMVQGGVVLSTCNRTELYLSVEEQDNLQEALIRWLCDYHNLNEEDLRKSLYWHQDNDAVSHLMRVASGLDSLVLGEPQILGQVKKAFADSQKGHMKASELERMFQKSFSVAKRVRTETDIGASAVSVAFAACTLARQIFESLSTVTVLLVGAGETIELVARHLREHKVQKMIIANRTRERAQILADEVGAEVIALSDIDERLREADIIISSTASPLPIIGKGMVERALKSRRNQPMLLVDIAVPRDVEPEVGKLANAYLYSVDDLQSIISHNLAQRKAAAVEAETIVAQETSEFMAWLRAQSASETIREYRSQAEQVRDELTAKALAALEQGGDAQAIMQDLAWKLTNRLIHAPTKSLQQAARDGDNERLNILRDSLGLE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.408935392973501,,s_77bb7975a84a5e9466e2b207,test
catpreddb_km_km_65db295c95b223,catpred_iteration1_km,km,A0A0A0LRC6,A0A0A0LRC6,MSITQISLSFPLAYASRYCAPSLGLFFNLSLHRRRRRPRLLSTALPPTTSSVPKTTVTTIVSFLPRFLDPHFLTGNCLLSRMERFWSGSGIGTNKDMVEKLQTYGVVRSKRVSEVMESIDRAFFVPDDVPPYVDTPVPIGYNATISAPHMHATCLQLLEKHLQPGMRALDVGSGTGYLTACFALMVGPEGRVVGVEHIPELVASSMENIKKSAAAPLLKEGSLSLHVGDGRQGWAECAPYDAIHVGAAAAEIPPALIDQLKPGGRMVIPVGNVFQDLKVVDKDSDGSVSIHDETSVRYVPLTSREAQLRDD,COC1C(=O)CCC(C)(O)C1(O)C1(C)OC1CC=C(C)C,COC1C(=O)CCC(C)(O)C1(O)C1(C)OC1CC=C(C)C,COC1C(=O)CCC(C)(O)C1(O)C1(C)OC1CC=C(C)C>>,public_strict_iteration1_fulltrue_msa,,0.1003705451175629,,s_1f9fe3bd5b9d1c2530b987b0,test
catpreddb_km_km_65f566f9dcc3c6,catpred_iteration1_km,km,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_140aab011c2ec3f979562c0c,test
catpreddb_km_km_65fd684eb847db,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.585026652029182,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_664ef7232e82be,catpred_iteration1_km,km,D7BAR0,D7BAR0,MSSLTPELRQSILEHLGFLYGERAPAVLGRLEEICSGFPAQRREGGWSEKDALLITYGDQIHAEGEPPLQTLYDFLYERLRGVFSGVHLLPFYPSTSDDGFSVVDFQRVDPELGTWTDIRIIAQDFRLMADLVCNHVSASSPWFQGFLQDDPQYQGFFITVDPGTDLSTVFRPRALPLLTPFQTPSGEKLVWTTFSPDQTDLNYANPEVLLEVIEALLCYVRNGAGLIRLDAVGFIWKEIGTSCMHLEGAHRIVKLMRLVLDAVAPHVLLVSETNAPHRENISYFGNGHDEAQLVYQFPLPPLVMHTFRTGDASKLAGWAAGLTLPSERTTFFNFLASHDGIGVVPAGGILQPEEIAALVRQALEHGGRVNHKDTPDGPVPYELCLTLFDALSNPNSDEAEDLKIARFLAANVILLSLQGIPGVYIHSLFGSPSDHAGFEESGIPRRLNRHKFTKAELEERLADPASRAAKILAAYSHLLRVRSMHPAFHPNAPQRILPSTEVLRIVRGEGDQAVGCYINVTDRPQVVSRIGKNLITGQWFTGVLKPYQAAWIID,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_0058539aac40e33eed965c7c,test
catpreddb_km_km_6658368c4df7d1,catpred_iteration1_km,km,Q9I6Z1,Q9I6Z1,MSEEPTVSPPSPEQPAAQPAKPARPAARRAPRKPATRRPRVASPAQKAREEIQAISQKPVALQVASAPHGSSEDSTSASLPANYPYHTRMRRNEYEKAKHDLQIELLKVQSWVKETGQRVVVLFEGRDAAGKGGTIKRFMEHLNPRGARIVALEKPSSQEQGQWYFQRYIQHLPTAGEMVFFDRSWYNRAGVERVMGFCSPLQYLEFMRQAPELERMLTNSGILLFKYWFSVSREEQLRRFISRRDDPLKHWKLSPIDIKSLDKWDDYTAAKQAMFFHTDTADAPWTVIKSDDKKRARLNCIRHFLHSLDYPDKDRRIAHEPDPLLVGPASRVIEEDEKVYAEAAAAPGHANLDIPA,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.1674910872937636,,s_633d047b5d80cf3aedb87cbc,test
catpreddb_km_km_66660f8d77efbd,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.0222763947111522,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_66821cfc56ad35,catpred_iteration1_km,km,I0DFJ0,I0DFJ0,MSENLQLSAEEMRQLGYQAVDLIIDHMNHLKSKPVSETIDSDILRNKLTESIPENGSDPKELLHFLNRNVFNQITHVDHPHFLAFVPGPNNYVGVVADFLASGFNVFPTAWIAGAGAEQIELTTINWLKSMLGFPDSAEGLFVSGGSMANLTALTVARQAKLNNDIENAVVYFSDQTHFSVDRALKVLGFKHHQICRIETDEHLRISVSALKKQIKEDRTKGKKPFCVIANAGTTNCGAVDSLNELADLCNDEDVWLHADGSYGAPAILSEKGSAMLQGIHRADSLTLDPHKWLFQPYDVGCVLIRNSQYLSKTFRMMPEYIKDSETNVEGEINFGECGIELSRRFRALKVWLSFKVFGVAAFRQAIDHGIMLAEQVEAFLGKAKDWEVVTPAQLGIVTFRYIPSELASTDTINEINKKLVKEITHRGFAMLSTTELKEKVVIRLCSINPRTTTEEMLQIMMKIKALAEEVSISYPCVAE,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0594835150674327,,s_bd6fd032a410f5a74b4b4df3,test
catpreddb_km_km_6695925baa813e,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)/C=C/c1ccco1,O=C(O)CN=C(O)/C=C/c1ccco1,O=C(O)CN=C(O)/C=C/c1ccco1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_66ac65309fe570,catpred_iteration1_km,km,P80025,P80025,MWVCLQLPVFLASVTLFEVAASDTIAQAASTTTISDAVSKVKIQVNKAFLDSRTRLKTTLSSEAPTTQQLSEYFKHAKGRTRTAIRNGQVWEESLKRLRRDTTLTNVTDPSLDLTALSWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSEMQKWIPPYQGYNNSVDPRISNVFTFAFRFGHMEVPSTVSRLDENYQPWGPEAELPLHTLFFNTWRIIKDGGIDPLVRGLLAKKSKLMNQDKMVTSELRNKLFQPTHKIHGFDLAAINLQRCRDHGMPGYNSWRGFCGLSQPKTLKGLQTVLKNKILAKKLMDLYKTPDNIDIWIGGNAEPMVERGRVGPLLACLLGRQFQQIRDGDRFWWENPGVFTEKQRDSLQKVSFSRLICDNTHITKVPLHAFQANNYPHDFVDCSTVDKLDLSPWASREN,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O>>,public_strict_iteration1_fulltrue_msa,,-0.1426675035687315,,s_075dddbe447157c6c5ffbc4d,test
catpreddb_km_km_66af1933495655,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,O=C(O)C1(O)CC(O)C(O)C(O)C1,O=C(O)C1(O)CC(O)C(O)C(O)C1,O=C(O)C1(O)CC(O)C(O)C(O)C1>>,public_strict_iteration1_fulltrue_msa,,-1.1542819820333414,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_66b9bee9eb6504,catpred_iteration1_km,km,P14646,P14646,MKKSRSVMAVTADDNLKDYFECSLSKSYSSSSYTLGIDLWRGRRCCSGNLQLPPLSQRQSERARTPEGDGISRPTTLPLTTLPSIAITTVSQECFDVENGPSPGRSPLDPQASSSSGLVLHAAFPGHSQRRESFLYRSDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRIVRNNFTLLTNLHGAPNKRSPAASQAPVTRVSLQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGVNTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFKISSDTFVTYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFQNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDERSRDCQGLMEKFQFELTLEEEDSEGPEKEGEGPNYFSSTKTLCVIDPENRDSLEETDIDIATEDKSLIDT,Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O,Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O,Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC2C1O>>,public_strict_iteration1_fulltrue_msa,,-2.573607565659726,,s_c941d116826ca7cadacd5e7d,test
catpreddb_km_km_66d064efca09ef,catpred_iteration1_km,km,P07954,P07954,MYRALRLLARSRPLVRAPAAALASAPGLGGAAVPSFWPPNAARMASQNSFRIEYDTFGELKVPNDKYYGAQTVRSTMNFKIGGVTERMPTPVIKAFGILKRAAAEVNQDYGLDPKIANAIMKAADEVAEGKLNDHFPLVVWQTGSGTQTNMNVNEVISNRAIEMLGGELGSKIPVHPNDHVNKSQSSNDTFPTAMHIAAAIEVHEVLLPGLQKLHDALDAKSKEFAQIIKIGRTHTQDAVPLTLGQEFSGYVQQVKYAMTRIKAAMPRIYELAAGGTAVGTGLNTRIGFAEKVAAKVAALTGLPFVTAPNKFEALAAHDALVELSGAMNTTACSLMKIANDIRFLGSGPRSGLGELILPENEPGSSIMPGKVNPTQCEAMTMVAAQVMGNHVAVTVGGSNGHFELNVFKPMMIKNVLHSARLLGDASVSFTENCVVGIQANTERINKLMNESLMLVTALNPHIGYDKAAKIAKTAHKNGSTLKETAIELGYLTAEQFDEWVKPKDMLGPK,O=C(O)C=CC(=O)O,O=C(O)C=CC(=O)O,O=C(O)C=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.520398700626004,,s_84e313c4c37758f79a6587c0,test
catpreddb_km_km_66d27d30da261f,catpred_iteration1_km,km,A0A1Y0UV69,A0A1Y0UV69,MSTEAPRLIRSIRLLDAAEDRIKTEFTAPPPPEKSLKTPALLELAKEFQPFAVVLTNNAPLKGKDVDALPECVKLVSTVSVGLDHLDIPTLHARGIAVSNTPNVLTDCNADLSMMLILAACRRAAEYYTLMKNGWHHGLGMGGMLGHRVTGKRLGIVGMGRIGQAVAKRARGFDMTILYHNRSRLSAAEEAGATYFEKLEDMLPHCDVLTLHMPGSPSAPPLMNSQTFSLLPKGSVFVNAARGSLVDEDALIEALESGHLFGAGLDVYRQEPNPNPRLTALPNIFMTPHAGSATIETRTAMCMLALDNVEALAKGLPMPTPVTV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.130768280269024,,s_3ec0dc664857423fb2e2db96,test
catpreddb_km_km_66dd272a5f292d,catpred_iteration1_km,km,Q01740,Q01740,MAKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGRASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANHFDLLKHIQFKTKVCSVTKCSDSAVSGQWEVVTMHEEKQESAIFDAVMVCTGFLTNPYLPLDSFPGINAFKGQYFHSRQYKHPDIFKDKRVLVIGMGNSGTDIAVEASHLAEKVFLSTTGGGWVISRIFDSGYPWDMVFMTRFQNMLRNSLPTPIVTWLMERKINNWLNHANYGLIPEDRTQLKEFVLNDELPGRIITGKVFIRPSIKEVKENSVIFNNTSKEEPIDIIVFATGYTFAFPFLDESVVKVEDGQASLYKYIFPAHLQKPTLAIIGLIKPLGSMIPTGETQARWAVRVLKGVNKLPPPSVMIEEINARKENKPSWFGLCYCKALQSDYITYIDELLTYINAKPNLFSMLLTDPHLALTVFFGPCSPYQFRLTGPGKWEGARNAIMTQWDRTFKVIKARVVQESPSPFESFLKVFSFLALLVAIFLIFL,Cn1ccnc1S,Cn1ccnc1S,Cn1ccnc1S>>,public_strict_iteration1_fulltrue_msa,,-1.2881252334083928,,s_709e219952fa967255321ee7,test
catpreddb_km_km_66ebbf13cb37c7,catpred_iteration1_km,km,P58329,P58329,MYHIDVFRIPCHSPGDTSGLEDLIETGRVAPADIVAVMGKTEGNGCVNDYTREYATAMLAACLGRHLQLPPHEVEKRVAFVMSGGTEGVLSPHHTVFARRPAIDAHRPAGKRLTLGIAFTRDFLPEEIGRHAQITETAGAVKRAMRDAGIASIDDLHFVQVKCPLLTPAKIASARSRGCAPVTTDTYESMGYSRGASALGIALATEEVPSSMLVDESVLNDWSLSSSLASASAGIELEHNVVIAIGMSEQATSELVIAHGVMSDAIDAASVRRTIESLGIRSDDEMDRIVNVFAKAEASPDGVVRGMRHTMLSDSDINSTRHARAVTGAAIASVVGHGMVYVSGGAEHQGPAGGGPFAVIARA,Oc1nc(O)nc(O)n1,Oc1nc(O)nc(O)n1,Oc1nc(O)nc(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.047102059816066,,s_0cdf27313c608da2d2cc71e2,test
catpreddb_km_km_66fecca8e94e64,catpred_iteration1_km,km,A0A837K328,A0A837K328,MKVTFAQLKEAFNRVLLSRGIAAETADACAEMFARTTESGVYSHGVNRFPRFIQQLDNGDIIPDAKPQRVTSLGAIEQWDAQRSIGNLTAKKMMDRAIELASDHGIGLVALRNANHWMRGGSYGWQAAEKGYIGICWTNSIAVMPPWGAKECRIGTNPLIVAIPSTPITMVDMSMSMFSYGMLEVNRLAGRTLPVDGGFDDEGNLTKEPGVIEKNRRILPMGYWKGSGLSIVLDMIATLLSNGSSVAEVTQDNSDEYGVSQFFIAIEVDKLIDGKTRDAKLQRIMDFITTAERADENVAVRLPGHEFTRLLEENRRNGITVDDSVWAKIQAL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_4e608b57eb129d0c5473f2a8,test
catpreddb_km_km_67096c91130768,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1739251972991735,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_67102ba84ff01e,catpred_iteration1_km,km,E9BLE1,E9BLE1,MNSNHADAGAPAMEKKMSDKEARKAARLAEEKARAEEKAALVEKYKDVFGAAPMVQSTTYKSRTHIPVAKLSQPELVSKTVLIRARVSTTRKKGKMAFMVLRDGSDSVQAMAAVEGNVPKEMIDFMGQIATESIVDVEATVCKVEQPITSTSHSDIELKVKKIHTVTESLRTLPFTLEDASRKESDEGAKVNLDTRLNSRWMDLRTPASGAIFRLQSRVCQYFRQFLIDNDFCEIHSPKIINAPSEGGANVFKLEYFNRFAYLAQSPQLYKQMVLQGDVPRVFEVGPVFRSENSNTHRHLTEFVGLDVEMRIDEHYYEVLDVAESLFNYIFEHLATHTKELKNVCQQYPFEPLVWKLTPEKMKELGVGVISENVVPTDKFQARVHNMDSRMLRINYMHCIELLNTVLDEKMAPTDDINTTNEKLLGKLVKERYGTDFFISDRFPSSVRPFYTMECKDDVRFTNSYDMFIRGEEISSGAQRIHDPDLLLARAKMLNVDLTPIKEYVDSFRLGAWPHGGFGVGLERVVMLYLGLSNVRLASLFPRDPQRTTP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_bb6d7dab460aa31b9793cbcb,test
catpreddb_km_km_6727fcec18eff4,catpred_iteration1_km,km,P07871,P07871,MHRLQVVLGHLAGRSESSSALQAAPCSAGFPQASASDVVVVHGRRTPIGRAGRGGFKDTTPDELLSAVLTAVLQDVKLKPECLGDISVGNVLQPGAGAAMARIAQFLSGIPETVPLSAVNRQCSSGLQAVANIAGGIRNGSYDIGMACGVESMTLSERGNPGNISSRLLENEKARDCLIPMGITSENVAERFGISRQKQDAFALASQQKAASAQSKGCFRAEIVPVTTTVLDDKGDRKTITVSQDEGVRPSTTMEGLAKLKPAFKDGGSTTAGNSSQVSDGAAAVLLARRSKAEELGLPILGVLRSYAVVGVPPDIMGIGPAYAIPAALQKAGLTVNDIDIFEINEAFASQALYCVEKLGIPAEKVNPLGGAIALGHPLGCTGARQVVTLLNELKRRGRRAYGVVSMCIGTGMGAAAVFEYPGN,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.1739251972991736,,s_b19a8f0986d15ddae5bdcdf4,test
catpreddb_km_km_673c2479a19f37,catpred_iteration1_km,km,G1U5X6,G1U5X6,MALAISAARVWGPRRQAVPLLLRQLGARGLTRSQLPRWQQQQQFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYQSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALENTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDRGKGRQMPVHYGCKERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGIMSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHFLLSRGWWDEEQEKAWRKQSRKKVMEAFEQAERKLKPSPSLLFSDVYQEMPPQLRKQQESLARHLQTYGEHYPLDHFDK,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2969002881683436,,s_e20fe1e71bdaa77d152d5f75,test
catpreddb_km_km_6753022d13b51c,catpred_iteration1_km,km,P37061,P37061,MKVVVVGCTHAGTSAVKSILANHPEAEVTVYERNDNISFLSCGIALYVGGVVKNAADLFYSNPEELASLGATVKMEHNVEEINVDDKTVTAKNLQTGATETVSYDKLVMTTGSWPIIPPIPGIDAENILLCKNYSQANVIIEKAKDAKRVVVVGGGYIGIELVEAFVESGKQVTLVDGLDRILNKYLDKPFTDVLEKELVDRGVNLALGENVQQFVADEQGKVAKVITPSQEFEADMVIMCVGFRPNTELLKDKVDMLPNGAIEVNEYMQTSNPDIFAAGDSAVVHYNPSQTKNYIPLATNAVRQGMLVGRNLTEQKLAYRGTQGTSGLYLFGWKIGSTGVTKESAKLNGLDVEATVFEDNYRPEFMPTTEKVLMELVYEKGTQRIVGGQLMSKYDITQSANTLSLAVQNKMTVEDLAISDFFFQPHFDRPWNYLNLLAQAALENM,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.4624090726906542,,s_66de01111f47e1318e3e0e9e,test
catpreddb_km_km_6754d21c604bc7,catpred_iteration1_km,km,P05156,P05156,MKLLHVFLLFLCFHLRFCKVTYTSQEDLVEKKCLAKKYTHLSCDKVFCQPWQRCIEGTCVCKLPYQCPKNGTAVCATNRRSFPTYCQQKSLECLHPGTKFLNNGTCTAEGKFSVSLKHGNTDSEGIVEVKLVDQDKTMFICKSSWSMREANVACLDLGFQQGADTQRRFKLSDLSINSTECLHVHCRGLETSLAECTFTKRRTMGYQDFADVVCYTQKADSPMDDFFQCVNGKYISQMKACDGINDCGDQSDELCCKACQGKGFHCKSGVCIPSQYQCNGEVDCITGEDEVGCAGFASVTQEETEILTADMDAERRRIKSLLPKLSCGVKNRMHIRRKRIVGGKRAQLGDLPWQVAIKDASGITCGGIYIGGCWILTAAHCLRASKTHRYQIWTTVVDWIHPDLKRIVIEYVDRIIFHENYNAGTYQNDIALIEMKKDGNKKDCELPRSIPACVPWSPYLFQPNDTCIVSGWGREKDNERVFSLQWGEVKLISNCSKFYGNRFYEKEMECAGTYDGSIDACKGDSGGPLVCMDANNVTYVWGVVSWGENCGKPEFPGVYTKVANYFDWISYHVGRPFISQYNV,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@@H](N=C(O)OC(C)(C)C)C(C)C)ccc21,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@@H](N=C(O)OC(C)(C)C)C(C)C)ccc21,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@@H](N=C(O)OC(C)(C)C)C(C)C)ccc21>>,public_strict_iteration1_fulltrue_msa,,-1.5686362358410126,,s_6223f0030719fea346ff18df,test
catpreddb_km_km_6779ad5806082f,catpred_iteration1_km,km,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O,CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O,CCCCCC=CCC=CCC=CCC1OC1CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8446639625349377,,s_b8c0da372cb95f619176f62b,test
catpreddb_km_km_677ceb215a28dd,catpred_iteration1_km,km,P76469,P76469,MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGERGVGASVARAARWGRIENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDTMLYSDALDQRLAMFKSGKNGPRIKGSY,O=C(O)C(=O)C[C@@H](O)[C@@H](O)CO,O=C(O)C(=O)C[C@@H](O)[C@@H](O)CO,O=C(O)C(=O)C[C@@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_1eea168d88c64a23075eba19,test
catpreddb_km_km_67870eaef79706,catpred_iteration1_km,km,J9WN12,J9WN12,MVLEIAVKAAVGAPDILGDCPFSQRALLTLEEKKIPYKSHLINLSDKPQWFLEVNPEGKVPVVKFDDKWVADSDVIVGILEEKYPEPSLATPPEFASVGSKIFPSFVKFLKSKDPNDGSEQALIEELKALDDHLKAHGPFIAGEKISAVDLSLAPKLYHLEVALAHFKNWTIPDKLTHVLNYIKLLFSRESFEKTKAAKEYIIAGWEPKVNA,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_8461037d4a80ae36c1a41430,test
catpreddb_km_km_67884227e89981,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1875207208364631,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_678ca404185d03,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CC=O,CC=O,CC=O>>,public_strict_iteration1_fulltrue_msa,,-3.552841968657781,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_67958dc2e4f59e,catpred_iteration1_km,km,M9W6G9,M9W6G9,MEHIEAEHPRPRHFLLHLSDPHLMGGPDPLYGVVDSEARLIQLFEEVKASGARPEAVIFTGDLADKGDPEAYVKLRAIVDPACEELGAKVIWAMGNHDNRANFRTGLLDEPADDGPVDKSYFINGLRVITMDTTVPGYHHGELSTSQLEWLTRQLDTPAPDGTILALHHPPVPSVLDLSVLVELRDQASLEAVVRNSDVRTILAGHLHYSTTASFAGIPVSVASASCYTQDLNVPIGGTRGQDGGQSFNLVHVYEHTIVHSVVPMGRSTTVGEYVSPEETKRRLDAAGVRIPESAKQRSSAKLGLPTSR,N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,1.1078880251827987,,s_0cc18e54a2115891357e99cb,test
catpreddb_km_km_67a119fae62ed5,catpred_iteration1_km,km,B2DEV1,B2DEV1,MDHATRAHFTMTVGEVDPLLADALASERGRQQNQIELIASENIVSRAVLDALGHEITNKTLEGYPGNRFHGGGQFVDIAEQAAIDRAKQLFNCGYANVQPHSGTQANLAVFFLLLKPGEKVLSLDLAAGGHLSHGMKANLSGRWFDATNYNVNPQNEVIDLDEMERLAEEIRPKLLITGGSAYPRELDFERMSRIAKKVGAYFLVDMAHIAGLVAGGVHPSPFPHADIVTCTTTKTLRGPRGGLILTNNEEWYKKLQAAVFPGVQGSLHSNVLAAKAICLGEAMLDDFKVYARQVVANAKVLANTLAERGVRIVSGGTDTHIVLLDLASKGLLGKQAETLLAKANITSNKNPIPGDSPRPPEWVGMRLGSSAATTRGLKEAEFRVLGTVIADLIDAEVAGKADDVVEGAKAKIAELTNTFPVYGQ,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2>>,public_strict_iteration1_fulltrue_msa,,-0.6420651529995463,,s_e141d0908d4da4fa44250d6a,test
catpreddb_km_km_67b8a78be1a24d,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_67b9b0deedada0,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(=O)c1ccc([N+](=O)[O-])cc1,CC(=O)c1ccc([N+](=O)[O-])cc1,CC(=O)c1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.0071174176393449,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_67bab5c03334a9,catpred_iteration1_km,km,Q3HW12,Q3HW12,IESQVATVWINRAELHNAFNTQVIEELNHCFTTLNANDDVRVVVLASRGKSFSAGADLNWMKQAGQASKVENEEDALKLAKMLQSLATLKQPTIARVHGIAFGGGMGLASACDICVASTDAKFATSEVRLGLAPSTISPYVIRAIGARQASRYFLTAERISAEQAKHIGLVHEVCQPEQLDATVLEIIDAILLGGPEAQAASKSLIRLVDHQEVTEDLLIQTAQHIAHVRQGDEAKNGLTAFLNKQSPAWIQAEQ,C/C(=C\C(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C(=C\C(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C(=C\C(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_bf45c254801263e51a6f4c04,test
catpreddb_km_km_67d3929e32ee12,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.0438322091252603,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_67f8b718ef5e85,catpred_iteration1_km,km,Q9QXI7,Q9QXI7,MTAKNSPKEFTASESEVCIKTFKEQMRLELELPKLPGNRPTSPKISPRSSPRNSPCFFRKLLVNKSIRQRRRFTVAHTCFDVENGPSPGRSPLDPQAGSSSGLVLHAAFPGHSQRRESFLYDLDSDYDLSPKAMSRNSSLPSEQHGDDLIVTPFAQVLASLRSVRNNFTLLTNLHGAPNKRSPAASQAPVSRVSLQEESYQKLAMETLEELDWCLDQLETIQTYRSVSEMASNKFKRMLNRELTHLSEMSRSGNQVSEYISNTFLDKQNDVEIPSPTQKDREKKKKQQLMTQISGVKKLMHSSSLNNTSISRFGINTENEDHLAKELEDLNKWGLNIFNVAGYSHNRPLTCIMYAIFQERDLLKTFKISSDTFVTYMMTLEDHYHSDVAYHNSLHAADVAQSTHVLLSTPALDAVFTDLEILAAIFAAAIHDVDHPGVSNQFLINTNSELALMYNDESVLENHHLAVGFKLLQEEHCDIFQNLTKKQRQTLRKMVIDMVLATDMSKHMSLLADLKTMVETKKVTSSGVLLLDNYTDRIQVLRNMVHCADLSNPTKSLELYRQWTDRIMEEFFQQGDKERERGMEISPMCDKHTASVEKSQVGFIDYIVHPLWETWADLVQPDAQDILDTLEDNRNWYQSMIPQSPSPPLDERSRDCQGLMEKFQFELTLEEEDSEGPEKEGEGHSYFSSTKTLCVIDPENRDSLEETDIDIATEDKSPIDT,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_fd5b22b3490b1546abe71778,test
catpreddb_km_km_67fb82e695419b,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)C(C)=O,CC(=O)C(C)=O,CC(=O)C(C)=O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_68005e0a0a05ae,catpred_iteration1_km,km,A0A0M3KL23,A0A0M3KL23,MNAYLSDQPVRLSPLRDEQGNQPRFGLLLEPGRPGMHVGELPAQWLKGLARSHHLLLLRGFAAFADAESLTRYCHDFGEVMLWPFGAVLELVEQEGAEDHIFANNYVPLHWDGMYLETVPEFQVFHCVDAPGDSDGGRTTFSSTPAALQLADSSELELWRRASGRYQRSAAHYSSRSAAPIVERHPRREFPILRFCEPPVEGDASFINPSEFHYDGIAPEQRGELLASLRRCLYHPQAHYAHRWRSDDLVIADNLTLLHGREAFAHRAPRHLRRVHIHAEPALRNPHLQRD,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_ab070c64525a084a7b684905,test
catpreddb_km_km_680afa83052063,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_6813c02c408c54,catpred_iteration1_km,km,O43029,O43029,MVKNTSVIIVGAGVFGLSAALELTKRGGYTIKILDRAPPPVIDGSSVDANRIIRSDYADAVYCSMGIDALEEWRTNPLFKEQFYGSGLMFVGRDNVEYRDMSLENLTKMGVSAAKFQTTEELRKLFPKWIGELNDGEAGYANFSSGWANAEQSVKSVVNYLAHAGVSFISGPEGTVEELITEENVVKGVRTTTGAYMAEKLIFATGAWTASLLPNDHTRFLATGQPVAYIKLTPEEYIRFLTNPVYLDFDTGFYIFPPTPDGYLKFARHGYGFTRMQNLKSGKVESVPPKKPLVSPILPKEAELDLRRNLQRTYGEEISQRPFYKTRICYYTDTADAEFVFDYHPDYENLFVCTGGSGHGFKFFPILGKYSIGCMFRELEEPLLKKWRWKKENLEFAALDHSRAGPSRQELS,O=C(O)C1CCCN1,O=C(O)C1CCCN1,O=C(O)C1CCCN1>>,public_strict_iteration1_fulltrue_msa,,1.5250448070368452,,s_e3850c95d705cb07d284a503,test
catpreddb_km_km_6814302f236b54,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4775557664936801,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_6823f48eb39e4b,catpred_iteration1_km,km,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_2caefa44f3749bcdb7479c26,test
catpreddb_km_km_683fd95472a446,catpred_iteration1_km,km,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,0.8450980400142568,,s_2d84b510953f7377dca5997d,test
catpreddb_km_km_684429166ccd76,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3144660688641318,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_68451522bede7f,catpred_iteration1_km,km,Q3S559,Q3S559,MSRTQHAITVLGAGKIGFAIALLLQRTGDYAVCVADQDPSRLDAVAALGCQTAQIDNDAALEAAIAGRHAVLNALPFHRAVAVAGLCARLGVHYFDLTEDVASTHAIHALGRDARAVLMPQCGLAPGFIGIVGNDLARRFDTLLDLRMRVGGLPRYPTNALRYNLYLEHRGADQRVLQSMRGAVDGELVKVPPMEGYETFTLDGVEYEAFNTSGGLGTLPQTLLGKARNVDYKSVRYPGHCAIMKLLLNDLRLRERRELLQDILESAIPATGQDVIVILATASGYRGGRLLQEAYSAHIHGDTVDGHALSAIQLSTAAGICTALDLVVEGALPQRGFVGQESIPLDALLANRHGRIYAGQRLDALLAA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(O)nc(=N)[nH]c54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.431798275933005,,s_53eefbb9d536a41e42f82fd0,test
catpreddb_km_km_685495d8bb562a,catpred_iteration1_km,km,Q9LW56,Q9LW56,MDKYKVAGKFGLPDITVAEMESLASFCEAVLPSVQPPPEELSGEGDNHRNKEALRSFYSTSGSKTPVLRQSIELVTKRGTIEAYIATRLILFLLATRLGTLLICGTECLVSRWPFVEKFSELSLEKRERVLQKQFKNWILTPIRAAFVYIKVAFLFCFFSRVNPNGENPAWEAIGYRVNPDENKPSETHNERPLEKGIVETMEETEQTLLESLAHKGLEAVLDTEHDAIRIKCDVVVVGSGSGGGVAASVLAKSGLKVVVLEKGSYFTPSEHRPFEGPGLDKLYENGGILPSVDGSFMVLAGATVGGGSAVNWSACIKTPKSVLQEWSEDQNIPLFGTKEYLTAMEVVWKRMGVTEKCELESFQNQILRKGCENLGFNVENVPRNSSESHYCGSCGYGCRQGDKKGSDRTWLVDAVGHGAVILTGCKAERFILEKNGSNKGGKQMKCLGVMAKSLNGNIAKMLKIEAKVTVSAGGALLTPPLMISSGLRNRNIGKNLHLHPVLMAWGYFPDKESSNISFKGNSYEGGIITSVSKVLSEDSEVRAIIETPQLGPGSFSVLTPWTSGLDMKKRMARYSRTASLITIVRDRGSGEVKTEGRINYTVDKTDRDNLKAGLRESLRILIAAGAEEVGTHRSDGQRLICKGVNENSIQEFLDSVSTEEGAKGMTEKWNVYSSAHQMGSCRIGENEKEGAIDLNGESWEAEKLFVCDASALPSAVGVNPMITVMSTAYCISTRIAKSMTTGLSH,CCCCCCCCCCCCO,CCCCCCCCCCCCO,CCCCCCCCCCCCO>>,public_strict_iteration1_fulltrue_msa,,-1.4710832997223453,,s_fc221720903d768f7519f3ea,test
catpreddb_km_km_68592c2b4ef39c,catpred_iteration1_km,km,P29804,P29804,GKMLAAVSRVLSGVAQKPASRVLVASRTFANDATFEIKKCDLHRLEEGPPVTTVLTREDGLKYYRMMQTVRRMELKADQLYKQKIIRGFCHLCDGQEACCVGLEAGINPTDHLITAYRAHGFTFTRGLSVREILAELTGRRGGCGKGKGGSMHMYAKNFYGGNGIVGAQVPLGAGIALACKYNGKDEVCLTLYGDGAANQGQIFEAYNMAALWKLPCVFICENNRYGMGTSVERAAASTDYYKRGDFIPGLRVDGMDILCVREATRFAAAYCRSGKGPILMELQTYRYHGHSMSDPGVSYRTREEIQEVRSKSDPIMLLKDRMVNSNLASVEELKEIDVEVRKEIEDAAQFATADPEPPLEELGYHIYCNDPPFEVRGANQWIKFKSIS,CCC(=O)C(=O)O,CCC(=O)C(=O)O,CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2508447231051997,,s_b1bb4555b0f958100a00cd82,test
catpreddb_km_km_6865a81173625e,catpred_iteration1_km,km,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-1.0609690093549935,,s_51f714c2449518f0f1cf2f16,test
catpreddb_km_km_6868b47bf6eac5,catpred_iteration1_km,km,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.568201724066995,,s_0424465e822fd7a94a631a04,test
catpreddb_km_km_686f4a411e18e2,catpred_iteration1_km,km,E5G6H3,E5G6H3,MPSIKLNSGYDMPAVGFGCWKVDVDTCSEQIYRAIKTGYRLFDGAEDYANEKLVGAGVKKAIDEGIVKREDLFLTSKLWNNYHHPDNVEKALNRTLSDLQVDYVDLFLIHFPVTFKFVPLEEKYPPGFYCGKGDNFDYEDVPILETWKALEKLVKAGKIRSIGVSNFPGALLLDLLRGATIKPSVLQVEHHPYLQQPRLIEFAQSRGIAVTAYSSFGPQSFVELNQGRALNTSPLFENETIKAIAAKHGKSPAQVLLRWSSQRGIAIIPKSNTVPRLLENKDVNSFDLDEQDFADIAKLDINLRFNDPWDWDKIPIFV,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.686172894348032,,s_60502662e2d87e30116171f4,test
catpreddb_km_km_689b0fa32f8630,catpred_iteration1_km,km,A0SZU9,A0SZU9,MSHILVADVGGTKLATALFNQHQQLLIKREVPSDISTRDALFHCLINSFELLCMEKKLSFKDISKVSIGLPGIVDVQKGLAIYQNNIPWRNFPICERLVEFFPHAQIMMDNDVHMAAWGEYNARGFQKETMVYVTLSTGISCCTIVNGEFLRGTGLAGEIGFNIVGHAGETLEESVAGPAIEKLGRVLLGNSAIRLKDMMELYYKGDPIMEKVLQQIIDCMEKQLHQMILMLDPHCIVLGGGFFNHQPKIIEQIKEVIQQRLLRTPFEGKEQIIESSIRKAEAGLYGAAMK,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5086383061657274,,s_783a3058f9fb50df54db6cfb,test
catpreddb_km_km_689f25ad7a4a7b,catpred_iteration1_km,km,C8CJG6,C8CJG6,MFYMTAQDYSVFDVVVVGSGAAGMVAALTAAHQGLSTVVVEKAPHYGGSTARSGGGVWIPNNEVLQRDGVKDTAAEARKYLHAIIGDVVPAEKIDTYLDRSPEMLSFVLKNSPLKLCWVPGYSDHYPETPGGKATGRSVEPKPFNAKKLGPDEKGLEPPYGKVPLNMVVLQQDYVRLNQLKRHPRGVLRSIKVGVRSVWANATGKNLVGMGRALIAPLRIGLQKAGVPVLLNTALTDLYIEDGVVRGIYVREAGAPESAEPKLIRARRGVILGSGGFEHNQEMRTKYQRQPITTEWTVGAVANTGDGILAAEKLGAALELMEDAWWGPTVPLEGAPWFALSERNSPGSIIVNMNGKRFMNESMPYVEACHHMYGGQYGQGAGPGENVPAWMIFDQQYRDRYIFAGLQPGQRIPKKWMESGIIVKADSLAELAEKTGVAADALKATIERFNGFARSGVDEDFHRGESAYDRYYGDPTNKPNPNLGEIKHGPFYAAKMVPGDLGTKGGIRTDVHGRALRDDNSVIEGLYAAGNVSSPVMGHTYPGPGGTIGPAMTFGYLAALHLAGKA,C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O,C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O,C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_b5ac5daf98080f0adc396a85,test
catpreddb_km_km_68a99daed4bc59,catpred_iteration1_km,km,P82450,P82450,MVSPRPVGLMLLLIIARVSRGAGIGFRFASYIDNYMVLQKEPSGAVIWGFGTAGATVTVTLCQGQETIMKKVTSVKGPSNTWMVVLDPMKPGGPFEVMAQQTLETTNLTLRVHDVLFGDVWLCSGQSNMQMTVLQIFNASKELSDTAAYQSVRIFSVSLTQAEEELADLDGVDLSWSKPTAGNLGHGNFTYMSAVCWLFGRYLYDTLQYPIGLVSSSWGGTPIEVWSSRRALKACGVPNTRDERVLQPEIKPMRNGCESKESSCPFRRFVPCDPVAGPATHSVLWNAMIHPLQNMTLKGVVWYQGENNANYNRDLYACMFPALIAGWRQTFHSGCQGQTERFFPFGFVQLSSYLLMNSSDYGFPEIRWHQTADFGSVPNPKMPNTFMAVAMDLCDRDSPFGSIHPRDKQTVAYRLHLGARAVAYGEKNLTFQGPLPKKIELLARNELLNLTYDQEIQVQRKDNKTFEISCCSDHQCKWLPAPVNTFSTQTLILDLSACLGTVDAVRYAWTTWPCEYKQCAVYHTSSVLPAPPFTARITHRGI,CC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C(=O)O)C[C@H](O)[C@H]1N=C(C)O,CC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C(=O)O)C[C@H](O)[C@H]1N=C(C)O,CC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)(C(=O)O)C[C@H](O)[C@H]1N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,0.9444826721501688,,s_7ebacc96063747ffb7e0b7cf,test
catpreddb_km_km_68b5d4b778156b,catpred_iteration1_km,km,Q9SWR3,Q9SWR3,MAAVTGLYGSIDEFLNHCSQSGDSAYSALRSLLERLEKPDTRTEARIFLAHLQKKLDNDGASQRCLETYHFQIQDIYLDRNEGTGYQNRKKFTMMVIPSIFMPEDWSFTFYEGINRHPDSIFKDKTVAELGCGNGWISIAIAEKWLPLKVYGLDINPRAVKISWINLYLNAFDEDGQPVYDSESKTLLDRVEFYESDLLSYCRDNHIELERIVGCIPQILNPNPDAMSKLVTENASEEFLHSLSNYCALQGFVEDQFGLGLIARAVEEGIDVIKPMGIMIFNMGGRPGQGVCKRLFERRGLSVNKLWQTKILQASDTDISALVEIEKNNPHRFEFFMGLVGDRPICARTAWAFGKACGRISHALSVYSCQLRHPNEVKKIFEFLKNGFHDISNSLDLSFEDDSVADEKIPFLAYLAGVLKDGSRFPYEPPTGNKRFRDLIASFMKTYHHVPLSTDNVAIFPSRATAIENSLRLFTPRLAIVEEHLTCNLPRQWLTSLEIEARTPLPSHAAIICGLLRNRVYTDLEVAFVISEEQTIFDALTRTVELLQGNTALISQYYYGCLFHELLSFQIPDRRQTAEREAENVEASDIDMIGFSSSAISVLSQSELSVRVTEKSSLLHMDVDQIFLPTPTPVKAAIFESFARQNVTETECDVTPILRQFILNTWNFSVEHSAEFIYADFPLALFNKLVLCCIEEGGSLCMPAGSNGNYAAAAKFLNANIMSIPTEAEVGFKLTAKQLSSVLETVHKPWVYISGPTINPTGLLYSNEEMKSLLTVCARYGARTIIDTSFSGIKFNSQDWDGWNLDASLAGLTGNPSFSVCLLGGLFFKIPTGGLSYGFLVLKSGFLADSFRSSFSGLNKPHNTVRYTAKKLLELGEQKGNLTGAAQGQEKLLATRLKRLKETLENCGWEVIEARGGVSVIAKPSAYLGKNIKLEKDGSTWVTKLDGTNIREAMLRATGLCINGPSWTGIPDYCRFTFALEDGDFDRALDCIVKFNQLVK,CSCCC(N)C(=O)O,CSCCC(N)C(=O)O,CSCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_be7406691cb4f4d2e1066167,test
catpreddb_km_km_68b8d9253d0afa,catpred_iteration1_km,km,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_c30215f5949a041d7b73c98a,test
catpreddb_km_km_68c29fdcc569cc,catpred_iteration1_km,km,Q9QZH8,Q9QZH8,MGRTIFLLISVVLVAYYIYIPLPDDIEEPWKIILGNTLLKLGGDLASFGELLGLNHFMDTVQLFMRFQVVPPTSDENVTVMETDFNSVPVRIYIPKRKSTTLRRGLFFIHGGGWCLGSAAYFMYDTLSRRTAHRLDAVVVSTDYGLAPKYHFPKQFEDVYHSLRWFLQEDILEKYGVDPRRVGVSGDSAGGNLTAAVTQQILQDPDVKIKLKVQALIYPALQALDMNVPSQQENSQYPLLTRSLLIRFWSEYFTTDRDLEKAMLLNQHVPVEFSHLLQFVNWSSLLPQRYKKGYFYKTPTPGSLELAQKYPGFTDVKACPLLANDSILHHLPMTYIITCQYDVLRDDGLMYVKRLQNTGVHVTHHHIEDGFHGALTLPGLKITYRMQNQYLNWLHKNL,CCOc1ccc(NC(C)=O)cc1,CCOc1ccc(NC(C)=O)cc1,CCOc1ccc(NC(C)=O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.9186321814950984,,s_2e07fc401aad3ecf02dd9df8,test
catpreddb_km_km_68de2713bc8582,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,O=C(O)C(=O)Cc1c[nH]c2ccccc12,O=C(O)C(=O)Cc1c[nH]c2ccccc12,O=C(O)C(=O)Cc1c[nH]c2ccccc12>>,public_strict_iteration1_fulltrue_msa,,0.5563025007672873,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_68f7125689d428,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_68fb7adea38f19,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4889891369963301,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_6903c65155f32b,catpred_iteration1_km,km,Q9YE01,Q9YE01,MEDLYLSWPKWFSEALARYSSLEGALEGVEEIYYCGMGGSGAAGDYIEALLSIYAPQGPEFRVVKDFRPPRPPRHRGYGLVLASYSGNTLETVECGSLLSPAAGRVVAVTSGGRLLEMAKERGWLVARLPGGILPRVSFPWMLAASTAMLSGALGVDLEALKRLAGGLDTQGLKGEAERLAGFISRYRIASLVTCGPGIPLAVRLKNELAENAKMPSRLEIYPESSHNDIVALEAAEGLYGAVFIWIEHEGSLCPAVLDVVEGIYREYGVDTISIESSARGGPNATVAEYLSRTLVFGLASVRLALMRGFNPEETPPIDKYKRRLGEALRSQA,O=P(O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_2f7fca05c88d6aadd7f589b4,test
catpreddb_km_km_6917fe90ccc126,catpred_iteration1_km,km,Q5NHR1,Q5NHR1,MYDISVFIGRFQPFHKGHLHNIIIALQNSKKVIINIGSCFNTPNIKNPFSFEQRKQMIESDLQVAGIDLDTVVIEPLADYFYQEQKWQDELRKNVYKHAKNNNSIAIVGHIKDSSSYYIRSFPEWDYIGVDNYKNFNATEFRQKFYNGIISKQYMCSNDPKLGTYNFLTKFMDTQVYQDLVAENNYVIEYKRLWLKAPFKPNFVTVDALVIVNDHILMVQRKAHPGKDLWALPGGFLECDETIAQAIIRELFEETNINLTHEQLAIAKRCEKVFDYPDRSVRGRTISHVGLFVFDQWPSLPEINAADDAKDVKWISLGSNIKNICDRMLEDHYQIITILLEECGKKL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3872161432802643,,s_171f8a5afd881a4e4b0f3a0d,test
catpreddb_km_km_691f80cbcc63f6,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.173393743112328,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_694b30f0325d9b,catpred_iteration1_km,km,A0A0N7IZL9,A0A0N7IZL9,MASTGLSSSLRPQVVVVGGGMAGVAAVQRLVQKGLTRVKILEARNRAGGRIWTQYLGSDTLEFGANWIHGTIGNPIYELAKQHGLLREEGRPEDLDRANVRELENEKFLMPGGKVIDEDVVDSCLQDYNEVIEECEAVFKEGRPSNPGDSAGDFLSREFRKQLASSNDIDAVKCTKMALLQHYLKMETCITGCHDMREESLEYFGQYRELEGDHYNNPSGYNAILDLILKTIPPDCIAYNKKVQCIRWREGKKRSESAHTVEVECEDGEVFSADHVIVTVPLGFLKKNCRTLFQPPLPEEKLASIERMGFGVVNKIFLTFEQPFWDTACEALHLVWDQDHSNSKAPEEWYKKMYVFYIDSKAPNTLLGWISGKEAEYMETLSEEEISNTFVSVLKKFMGREDIPKPVRTMITRWGSDALTCGSYSFIRVGEKGDDINTVAEPLYRDNTEVPLVQFAGEATHSEFFSTVHGAYLTGQREADRLVNLYASKQ,CC(O)=NCCCNCCCCNCCCN,CC(O)=NCCCNCCCCNCCCN,CC(O)=NCCCNCCCCNCCCN>>,public_strict_iteration1_fulltrue_msa,,-1.4329736338409396,,s_489d4a95ff66de894e5f0c49,test
catpreddb_km_km_6970edbae62d6f,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,NC(CO)C(=O)O,NC(CO)C(=O)O,NC(CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1135459025143641,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_69790962682ccf,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6487847317772373,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_697d1ad6438e5d,catpred_iteration1_km,km,Q3A7N7,Q3A7N7,MADEIFDLIVLGAGPGGYVGAIRAAQLGMKVAVVESRPTLGGVCLNEGCIPSKALLDSSEHFALARDKFDMHGIEIPAPKLNLAKMMERKEGVVSDLTGGIAFLFKKNKVTWIKGRGKLLGAGGDGLQQVEVTGKNAGVVKGKNVLLATGGKVAQVPGITVDNDVIIDNVGALSIDKVPEHLMIIGAGYIGLELGSVWLRLGSKVTVVEMLPKMLPKTDADTTQALQRSLKKQGMTFNMGTTVGGIEVSGGKATVKLVKNDKEKEVVCDKVLMSIGRKPNTDGLGLEELGVEMGERGTIKVDDNYATNVPGIYAIGDLIPGPMLAHKASEEAVVFVERLVGKNSEVHYGTIPGVCYTWPEVASVGKTEQQLQEEGTPVKVGKFNFVGNGRARAMAETEGFVKIIAHAENGQVLGVHIFGPRASDMIAEAVAVMSYGGTAHDIGAMFHGHPTLSEAVKEAALDVDGAAVHC,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2076083105017461,,s_d02c2fdf8b0ae996ba178ff8,test
catpreddb_km_km_698b807b46280d,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_6995d69845d79d,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,OC1CCCCC1,OC1CCCCC1,OC1CCCCC1>>,public_strict_iteration1_fulltrue_msa,,-1.1307682802690238,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_6999594cfb0200,catpred_iteration1_km,km,Q58487,Q58487,MIIETPSKVILFGEHAVVYGYRAISMAIDLTSTIEIKETQEDEIILNLNDLNKSLGLNLNEIKNINPNNFGDFKYCLCAIKNTLDYLNIEPKTGFKINISSKIPISCGLGSSASITIGTIKAVSGFYNKELKDDEIAKLGYMVEKEIQGKASITDTSTITYKGILEIKNNKFRKIKGEFEEFLKNCKFLIVYAEKRKKKTAELVNEVAKIENKDEIFKEIDKVIDEALKIKNKEDFGKLMTKNHELLKKLNISTPKLDRIVDIGNRFGFGAKLTGAGGGGCVIILVNEEKEKELLKELNKEDVRIFNCRMMN,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.0362121726544449,,s_5501434741f9bcf0405706e0,test
catpreddb_km_km_69b305afc47661,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1870866433571443,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_69bd82eec181ba,catpred_iteration1_km,km,A0A6A5Q0M3,A0A6A5Q0M3,MGSDRSCVLSVFQTILKLVIFVAIFGAAISSRLFAVIKFESIIHEFDPWFNYRATKYLVNNSFYKFLNWFDDRTWYPLGRVTGGTLYPGLMTTSAFIWHALRNWLGLPIDIRNVCVLFAPLFSGVTAWATYEFTKEIKDASAGLLAAGFIAIVPGYISRSVAGSYDNEAIAITLLMVTFMFWIKAQKTGSIMHATCAALFYFYMVSAWGGYVFITNLIPLHVFLLILMGRYSSKLYSAYTTWYAIGTVASMQIPFVGFLPIRSNDHMAALGVFGLIQIVAFGDFVKGQISTAKFKVIMMVSLFLILVLGVVGLSALTYMGLIAPWTGRFYSLWDTNYAKIHIPIIASVSEHQPVSWPAFFFDTHFLIWLFPAGVFLLFLDLKDEHVFVIAYSVLCSYFAGVMVRLMLTLTPVICVSAAVALSKIFDIYLDFKTSDRKYAIKPAALLAKLIVSGSFIFYLYLFVFHSTWVTRTAYSSPSVVLPSQTPDGKLALIDDFREAYYWLRMNSDEDSKVAAWWDYGYQIGGMADRTTLVDNNTWNNTHIAIVGKAMASPEEKSYEILKEHDVDYVLVIFGGLIGFGGDDINKFLWMIRISEGIWPEEIKERDFYTAEGEYRVDARASETMRNSLLYKMSYKDFPQLFNGGQATDRVRQQMITPLDVPPLDYFDEVFTSENWMVRIYQLKKDDAQGRTLRDVGELTRSSTKTRRSIKRPELGLRV,CC(O)=NC(CC(=N)O)C(O)=NC(Cc1ccc(O)cc1)C(O)=NC(C(=N)O)C(C)O,CC(O)=NC(CC(=N)O)C(O)=NC(Cc1ccc(O)cc1)C(O)=NC(C(=N)O)C(C)O,CC(O)=NC(CC(=N)O)C(O)=NC(Cc1ccc(O)cc1)C(O)=NC(C(=N)O)C(C)O>>,public_strict_iteration1_fulltrue_msa,,-3.823908740944319,,s_942b39c1db7ad79494e440b9,test
catpreddb_km_km_69ced998606ac7,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,O=C1CCCCCO1,O=C1CCCCCO1,O=C1CCCCCO1>>,public_strict_iteration1_fulltrue_msa,,-0.431798275933005,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_69d82344be9611,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CNC(=O)c1ccc(O)cc1,O=C(O)CNC(=O)c1ccc(O)cc1,O=C(O)CNC(=O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_69de697ee57943,catpred_iteration1_km,km,O05877,O05877,MDIPSVDVSTATNDGASSRAKGHRSAAPGRRKISDAVYQAELFRLQTEFVKLQEWARHSGARLVVIFEGRDGAGKGGAIKRITEYLNPRVARIAALPAPTDRERGQWYYQRYIAHLPAKGEIVLFDRSWYNRAGVEKVMGFCTPQEYVLFLRQTPIFEQMLIDDGILLRKYWFSVSDAEQLRRFKARRNDPVRQWKLSPMDLESVYRWEDYSRAKDEMMVHTDTPVSPWYVVESDIKKHARLNMMAHLLSTIDYADVEKPKVKLPPRPLVSGNYRRPPRELSTYVDDYVATLIAR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4202164033831898,,s_eeacd29ea83c1cabf0711ab1,test
catpreddb_km_km_69f0ceba1afae7,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_6a0b3fed16f84c,catpred_iteration1_km,km,D6QX86,D6QX86,MERMVMRLMRNKSLLAGASSRGGGGLASSSIVDSSPFSTLQQQQQEDPGVLNIRDTAAHLIGRTPLVYLNKVTEGCGARVAAKLEFLQPSFSVKDRPAISMIEDAEKKGLITPGKTTLIEPTSGNMGIGLAFMAALKGYELVLTMPSYTSLERRVVMKAFGAQLVLTDPXXGXXGTXRKATQLYDNHPSAFMLQQFENPANVQVHYETTGPEIWEDTLGQVDIFVMGIGSGGTVTGVGKYLKEKNPNAKIYGVEPAEANVLNGGKPGPHLITGNGVGFKPDILDMDIMEKVLEVKGEDAVKMAQQLALQEGLLVGISSGANTVAAIELAKRPENKGKLIVTVHPSAGERYLSSALFEGLRKEAEAMQPVPVD,[N]N=[N-].[Na+],[N]N=[N-].[Na+],[N]N=[N-].[Na+]>>,public_strict_iteration1_fulltrue_msa,,0.3617278360175928,,s_282d05140e834a8d683bbbb6,test
catpreddb_km_km_6a1c2362220605,catpred_iteration1_km,km,Q05A13,Q05A13,MNSVADTAIFFGKFLYYFLESLVFKVIPKRKKDVSGEIVLITGAGSGLGRLLAIHFASHGATLVLWDINQEGNMETCRLVKQKGDVKVFAYKCDCSSRIEVYRVADQVKEEVGDVTILINNAGVVTGKSFLNTPDHLVEKSFLVNAISHFWTCKAFLPAMVKANHGHLVCISSIAGLVGINGLSDYSSSKFAAFGFAESLFLELTMIMKTKVKSTIVCPYFIKTGMFEGCTTKYPLLLPLLEQEYVAQKIFNAILEEQVYLIIPKFAYVALFLKQIISPKMMIALGEYLGVDTCMTSFTGRVKAEELQMETKRKEQ,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_80451f6193ec13c29c76f6e2,test
catpreddb_km_km_6a21a1d415230a,catpred_iteration1_km,km,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_km_km_6a3ff966222cc8,catpred_iteration1_km,km,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_km_km_6a4ce8595057c6,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,OC[C@H]1OC(O)[C@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.978180516937414,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_6a606a9df876d4,catpred_iteration1_km,km,Q76IQ9,Q76IQ9,MKYGYFDNDNREYVITRPDVPAPWTNYLGTEKFCTVISHNAGGYSFYNSPEYNRVTKFRPNATFDRPGHYVYLRDDDSGDYWSISWQPVAKSLDEAQYQIRHGLSYSKFQCDYNGIHARKTLFVPKGEDAEIWDVVIKNTSDQVRTISAFSFVEFSFSHIQSDNQNHQMSLYSAGTAYRPGLIEYDLYYNTDDFEGFYYLASTFDPDSYDGQRDRFLGLYRDEANPLAVEQGRCSNSAQTCYNHCGSLHKQFTLQPGEEIRFAYILGIGKGNGERLREHYQDVANIDAAFAAIKAHWDERCAKFQVKSPNQGLDTMINAWTLYQAETCVVWSRFASFIEVGGRTGLGYRDTAQDAISVPHANPEMTRKRIVDLLRGQVKAGYGLHLFDPDWFDPEKEDVAPSKSPTVVPTPSDEDKIHGIKDTCSDDHLWLIPTICKYVMETGETSFFDQMIPYADGGEASVYEHMKAALDFSAEYVGQTGICKGLRADWNDCLNLGGGESSMVSFLHFWALQEFIDLAKFLGKDQDVNTYTEMAANVREACETHLWDDEGGWYIRGLTKNGDKIGTAQQQEGRVHLESNTLAVLSGLASQERGEQAMDAVDEHLFSPYGLHLNAPSFSTPNDDIGFVTRVYQGVKENGAIFSHPNPWAWVAETKLGRGDRAMKFYDALNPYNQNDIIEKRIAEPYSYVQFIMGRDHQDHGRANHPWLTGTSGWAYFAVTNYILGVQSGFTGLSVDPCIPSDWPGFEVTRQWRGATYHIQVENPDHVSKGVKSITLNGAPIQGRIPPQAQGSDNQVVVVLG,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_d24d15431a8db96d17b3098d,test
catpreddb_km_km_6a8abb59c14ed4,catpred_iteration1_km,km,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C/C=C/C(=O)CC,C/C=C/C(=O)CC,C/C=C/C(=O)CC>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_km_km_6a8ca9a45ec38e,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,CC(N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=NCC(O)=NC1CSSCC(C(=O)O)N=C(O)C(CO)N=C(O)C(C(C)O)N=C(O)C(Cc2ccccc2)N=C(O)C(C(C)O)N=C(O)C(CCCCN)N=C(O)C(Cc2c[nH]c3ccccc23)N=C(O)C(Cc2ccccc2)N=C(O)C(Cc2ccccc2)N=C(O)C(CC(=N)O)N=C(O)C(CCCCN)N=C1O,CC(N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=NCC(O)=NC1CSSCC(C(=O)O)N=C(O)C(CO)N=C(O)C(C(C)O)N=C(O)C(Cc2ccccc2)N=C(O)C(C(C)O)N=C(O)C(CCCCN)N=C(O)C(Cc2c[nH]c3ccccc23)N=C(O)C(Cc2ccccc2)N=C(O)C(Cc2ccccc2)N=C(O)C(CC(=N)O)N=C(O)C(CCCCN)N=C1O,CC(N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=NCC(O)=NC1CSSCC(C(=O)O)N=C(O)C(CO)N=C(O)C(C(C)O)N=C(O)C(Cc2ccccc2)N=C(O)C(C(C)O)N=C(O)C(CCCCN)N=C(O)C(Cc2c[nH]c3ccccc23)N=C(O)C(Cc2ccccc2)N=C(O)C(Cc2ccccc2)N=C(O)C(CC(=N)O)N=C(O)C(CCCCN)N=C1O>>,public_strict_iteration1_fulltrue_msa,,-2.3010299956639813,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_6a8ea819d006ab,catpred_iteration1_km,km,Q8YPB4,Q8YPB4,MQSYKYQQKKNLEKSYTREDWQGGYKSLRQEFDYWIDDVEGEIPTELQGTLFRNGPGLLDIKGQSIHHPFDGDGMISRISFVNGRAHYRNSFVKTEGYLAEKNAGKILHRGVFGTQKPGGWLANIFDFKLKNIANTNVIYWGEKLLALWEAAEPHRLDPKTLDTLGKEYFHGVLSAGEAFGAHPRFDPSCEQDNGAPCLVNFSIKPGLSTTITIFELNVAGEVVRKHAHHVPGFCFIHDFVITPNHCIFFQNPVSFNPIPFALGLRGAGECIQVQPNQPTRIIVIPRFPQSGQKEIKTLEVGSGFIFHHVNAFVVGEEILVDSLCYDSLPEVEPESDFRQVDFEAIAPGQLWRFYLNLKDGTVQKKLIESRCCEFPAIHPRNVGRSYRYLYMSAAHAATGNAPLQALLKIDLESGEKQIWSVAPRGFTGEPIFVPRPGSEKEDDGWVLALVYDAAHHRSDVVILDASDFTKGAIARLHLQHHVPYGLHGNFTPQVFV,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_6f17ac7c709e3470716b7e32,test
catpreddb_km_km_6a96e9af170357,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCCCCN,CCCCCN,CCCCCN>>,public_strict_iteration1_fulltrue_msa,,0.756636108245848,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_6a97e9b0358e2c,catpred_iteration1_km,km,D3PT81,D3PT81,MKIYYDQDADIGFIKDKTVAILGFGSQGHAHALNLRDSGIKVVVGLRPGSRNEEKARKAGLEVLPVGEAVRRADVVMILLPDETQGAVYKAEVEPNLKEGAALAFAHGFNIHFGQIKPRRDLDVWMVAPKGPGHLVRSEYEKGSGVPSLVAVYQDASGSAFPTALAYAKANGGTRAGTIATTFKDETETDLFGEQTVLCGGLTQLIAAGFETLVEAGYPPEMAYFECLHEVKLIVDLIYESGFAGMRYSISNTAEYGDYTRGPMVINREETKARMREVLRQIQQGEFAREWMLENVVGQPTLNANRNYWKDHPIEQVGPKLRAMMPFLKSRFTKEEVGS,CC(=O)[C@](C)(O)C(=O)O,CC(=O)[C@](C)(O)C(=O)O,CC(=O)[C@](C)(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8583493856482252,,s_f7e010e029dfb90cfddac758,test
catpreddb_km_km_6aa64729fce24c,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cc(O)c2ccccc2c1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cc(O)c2ccccc2c1O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1cc(O)c2ccccc2c1O>>,public_strict_iteration1_fulltrue_msa,,-1.4814860601221125,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_6ab34838883e0f,catpred_iteration1_km,km,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,C[C@H]1[C@H](N=C(O)/C(=N\OC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O,C[C@H]1[C@H](N=C(O)/C(=N\OC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O,C[C@H]1[C@H](N=C(O)/C(=N\OC(C)(C)C(=O)O)c2csc(=N)[nH]2)C(=O)N1S(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_48d0e57876a633501632a01a,test
catpreddb_km_km_6abe0d11d5de89,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_6ac6026971f95a,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_37892504ee980fd328015aac,test
catpreddb_km_km_6ac7310fd7542a,catpred_iteration1_km,km,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCC(=O)NCCO>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_d02e45ef02098b997a7f78aa,test
catpreddb_km_km_6afa84d947adf4,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.4436974992327127,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_6b16df71886564,catpred_iteration1_km,km,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCCC=O,CCCCCCC=O,CCCCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.4548789690998213,,s_b4b031ed943af76041b4fd24,test
catpreddb_km_km_6b2b4386301e75,catpred_iteration1_km,km,P30632,P30632,MSDQLEASIKNILEQKTLKWIFVGGKGGVGKTTCSCSLAAQLSKVRERVLLISTDPAHNISDAFSQKFTKTPTLVEGFKNLFAMEIDSNPNGEGVEMGNIEEMLQNAAQNEGGSGGFSMGKDFLQSFAGGLPGIDEAMSFGEMIKLIDSLDFDVVVFDTAPTGHTLRLLQFPTLLEKVFTKILSLQGMFGPMMNQFGGMFGMGGGSMNEMIEKMTTTLESVKKMNAQFKDPNCTTFVCVCIAEFLSLYETERLIQELSKQGIDTHNIIVNQLLFPDTDANGTVSCRKCASRQAIQSKYLTDIDELYEDFHVVKLPLLEAEVRGGPAILQFSERMVDPEANKN,[Sb+3],[Sb+3],[Sb+3]>>,public_strict_iteration1_fulltrue_msa,,-4.3979400086720375,,s_a23d95cba25846657300c56d,test
catpreddb_km_km_6b446069420201,catpred_iteration1_km,km,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,CCCC=CC=O,CCCC=CC=O,CCCC=CC=O>>,public_strict_iteration1_fulltrue_msa,,0.2678754193188976,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_km_km_6b4ab479bda6d4,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7160033436347992,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_6b5700198485bc,catpred_iteration1_km,km,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.285557309007774,,s_38095aa1b1ee0421254bd92b,test
catpreddb_km_km_6b6915edf479c0,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,CSCCC(N=C(O)C(CC(C)C)N=C(O)CN=C(O)C(N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(=O)N=C(O)[C@@H](N)CCCNC(=N)N,CSCCC(N=C(O)C(CC(C)C)N=C(O)CN=C(O)C(N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(=O)N=C(O)[C@@H](N)CCCNC(=N)N,CSCCC(N=C(O)C(CC(C)C)N=C(O)CN=C(O)C(N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(=O)N=C(O)[C@@H](N)CCCNC(=N)N>>,public_strict_iteration1_fulltrue_msa,,-1.2365720064370629,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_6b6d7d4a506703,catpred_iteration1_km,km,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,CC(=O)C=O,CC(=O)C=O,CC(=O)C=O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_km_km_6b79f96dcbc06d,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12>>,public_strict_iteration1_fulltrue_msa,,1.2525749891599531,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_6b7d907533dac8,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.3287886595888967,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_6b804b45330920,catpred_iteration1_km,km,K7NBW3,K7NBW3,MEKGDTHILVFPFPSQGHINPLLQLSKRLIAKGIKVSLVTTLHVSNHLQLQGAYSNSVKIEVISDGSEDRLETDTMRQTLDRFRQKMTKNLEDFLQKAMVSSNPPKFILYDSTMPWVLEVAKEFGLDRAPFYTQSCALNSINYHVLHGQLKLPPETPTISLPSMPLLRPSDLPAYDFDPASTDTIIDLLTSQYSNIQDANLLFCNTFDKLEGEIIQWMETLGRPVKTVGPTVPSAYLDKRVENDKHYGLSLFKPNEDVCLKWLDSKPSGSVLYVSYGSLVEMGEEQLKELALGIKETGKFFLWVVRDTEAEKLPPNFVESVAEKGLVVSWCSQLEVLAHPSVGCFFTHCGWNSTLEALCLGVPVVAFPQWADQVTNAKFLEDVWKVGKRVKRNEQRLASKEEVRSCIWEVMEGERASEFKSNSMEWKKWAKEAVDEGGSSDKNIEEFVAMLKQT,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0505124100534962,,s_149cd835f6a77fca4008caab,test
catpreddb_km_km_6b899dedde32d0,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(C)(O)C(=O)C(=O)O,CC(C)(O)C(=O)C(=O)O,CC(C)(O)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_6ba2bbafdd038d,catpred_iteration1_km,km,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1>>,public_strict_iteration1_fulltrue_msa,,-1.8885154162830236,,s_006f723d5d8d505a1b6694d0,test
catpreddb_km_km_6bbcc07137c145,catpred_iteration1_km,km,P50389,P50389,MNPVHILAKKGEVAERVLVVGDPGRARLLSTLLQNPKLTNENRGFLVYTGKYNGETVSIATHGIGGPSIAIVLEELAMLGANVFIRYGTTGALVPYINLGEYIIVTGASYNQGGLFYQYLRDNACVASTPDFELTNKLVTSFSKRNLKYYVGNVFSSDAFYAEDEEFVKKWSSRGNIAVEMECATLFTLSKVKGWKSATVLVVSDNLAKGGIWITKEELEKSVMDGAKAVLDTLTS,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.619788758288394,,s_e85a1e076059a8810584cbd3,test
catpreddb_km_km_6bd6ef862d9998,catpred_iteration1_km,km,E2GHW5,E2GHW5,SSLPAGRDVSIVQLSNQPPSDLPTTWQWTSTGPLVGPKNDGRGIAGIKDPTIILINGTHHVFASTAQSAGYNLVYFTFADWADAPNATFYYLDQAPLGTGYRAAPQVFWFAPHKLWYLVYQNGNAAYSTNPDINNPKGWTAPKVFYPDGMPKIIEQNIGEGYWVDMWVICDSASCHLFSSDDNGQLYRSETSLEQFPNGMSQPVIAMQDNRNDLFEAACVYSLPDGKYLLLVEAIGTDGHRWFRSWTADSIRGPWQGLANTEQNPWARSNNVQFDGDVWTKSISHGEIIRDGTVDEKLLIDPCNIRFMYQGMDPSAGGEYNALPWRLGFIAHNNPAC,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.785329835010767,,s_3f88e77e9a8d3f08649c67e2,test
catpreddb_km_km_6c0bb21d946058,catpred_iteration1_km,km,A0A514TRK5,A0A514TRK5,MANERVELRIYNSMTQQKEIFNPKVPGKVSMYVCGVTAYDYSHIGHARAAVSFDILFRYLKHLGYEVTYVRNFTDVDDKIIKRANETGEDPLALSNRFCEEYNVDMSDLLCERPTKEPRVSDHIGEIKDMITQIINNDYGYEVNGDVFYAVEKCPNYGILSGQRLEHNRAGERVAVDSRKRHPADFALWKAAKPGEPSWDSPWGPGRPGWHIECSAMSACYLTHKFDIHGGGIDLIFPHNENEVAQSWAADKESHISYWMHNGHVTNNNEKMSKSLGNFFTIRQITERYHPLALRHFLISAHYKSPLNYSIAQLESSSDAVYYIFQTLQDCKDALAPLVQGETEKKEKINEAAKDCIKKLSVEFQTKMSDDLQTPVILTGSLQDALKLVNSSLKMLKKKLQRRAQLQLVESLLEVEKEIGKILNVLGLLSTKSYAEIPQESKEKALKRAGLVEDDVLHLIEERSQARINKDFARSDKVRTDLTAKGIALMDVGNETVWRPCIPSEPLVAQPVQTENKATKVEEKLAIVGEGNGPETST,NC(CS)C(=O)O,NC(CS)C(=O)O,NC(CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_2c4856224f26ad6ba1eb3878,test
catpreddb_km_km_6c34d74d0a4174,catpred_iteration1_km,km,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,C[C@H](N=C(O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,C[C@H](N=C(O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6434526764861874,,s_2caefa44f3749bcdb7479c26,test
catpreddb_km_km_6c452687c9feb4,catpred_iteration1_km,km,P45511,P45511,MLKVIQSPAKYLQGPDASTLFGQYAKNLADSFFVIADDFVMKLAGEKVLNGLHSHDISCHAERFNGECSHIEINRLIAILKQHGCRGVVGIGGGKTLDTAKAIGYYQKLPVVVIPTIASTDAPTSALSVIYTEAGEFEEYLIYPKNPDMVVMDTAIIAKAPVRLLVAGMGDALSTWFEAKACYDARATSMAGGQSTVAALSLARLCYDTLLAEGEKARFAAQAGVVTDALERIVEANTYLSGIGFESSGLAGAHAIHNGFTILEECHHLYHGEKVAFGTLAQLVLQNSPMEEIETVLNFCQKVGLPVTLAEMGVKDDIDGKIMAVAKATCAEGETIHNMPFSVTPESVHAAILTADLLGQQWLAR,OCC(O)CO,OCC(O)CO,OCC(O)CO>>,public_strict_iteration1_fulltrue_msa,,0.1038037209559568,,s_4147e408d17bb46f195c4a43,test
catpreddb_km_km_6c52aaed2d5ccd,catpred_iteration1_km,km,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12,Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12,Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,1.0718820073061257,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_km_km_6c52c4f17cfcb5,catpred_iteration1_km,km,E5G6H3,E5G6H3,MPSIKLNSGYDMPAVGFGCWKVDVDTCSEQIYRAIKTGYRLFDGAEDYANEKLVGAGVKKAIDEGIVKREDLFLTSKLWNNYHHPDNVEKALNRTLSDLQVDYVDLFLIHFPVTFKFVPLEEKYPPGFYCGKGDNFDYEDVPILETWKALEKLVKAGKIRSIGVSNFPGALLLDLLRGATIKPSVLQVEHHPYLQQPRLIEFAQSRGIAVTAYSSFGPQSFVELNQGRALNTSPLFENETIKAIAAKHGKSPAQVLLRWSSQRGIAIIPKSNTVPRLLENKDVNSFDLDEQDFADIAKLDINLRFNDPWDWDKIPIFV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.872283583635536,,s_60502662e2d87e30116171f4,test
catpreddb_km_km_6c60b45ec722d4,catpred_iteration1_km,km,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.870403905279027,,s_74cdd8566f34570e4d30f31c,test
catpreddb_km_km_6c7b84f5b1f6ea,catpred_iteration1_km,km,Q59RW5,Q59RW5,MTETSISGLRGPKSMYFMEIVDVSSQESSVLSSIVESFTSAVSASNLGVYSDEVLCDIKSSLKENSPITMLPNYNVSPTGDEHGQYLVIDLGGSTLRIAVVDISKPHPNLSRSERITIVVEKSWIIGNDFKRIDGEFFKYIGSKINEILMGQNVIDVKSVINTGITWSFPLETTDYNRGKIKHVSKGYTVGEDIYDKDLKMVLEDTLRQEYGLTLDVQSILNDSLAVYSAGCFIDSKMKLAMVLGTGINMCCSLKRSSDIHPSKMLADATLFNCELSLFGQNLCKDFATKYDIIIDKRFAGLSHHFKTFMEPDPITKTLFQPHELMTSGRYLPELTRLVVVDLIEAGEIFQNVDHQQMYQEYGGFSGELICFVHENDDYDDIHDKLCKAYGWTTVGLSDIVCLKEVVSCIIKRAAFIVANAIIAFFKLLGSDELGGDVTIGYVGSVLNYFHKYRRLIVEYVNSAEEAKGIKVDLKLIENSSIIGAAIGAAYHK,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4253900586598128,,s_99c65aa0c71a3df4836c53c4,test
catpreddb_km_km_6c855bd019091d,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.744727494896694,,s_f28c949d1503440bae214094,test
catpreddb_km_km_6c8a59c9c53c94,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,2.6414741105041,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_6c8ba4592fff4e,catpred_iteration1_km,km,I2DBY1,I2DBY1,MRLSPVFVALLSGLLAADLGLARSVAPRVADSPAAVTGTRKTSLLKNVAGLPPVPSAAQVAATSLNTDDIQGDILVGMHKQKQLFYFFAINDPATFKTHLASDIAPVVASVTQLSNVATQPLVALNIAFSNTGLLALGVTDNLGDSLFANGQAKDATSFKESTSSWVPQFAGTGIHGVIILASDTTDLIDQQVASIESTFGSSISKLYSLSASIRPGNEAGHEMFGFLDGIAQPAINGFNTPLPGQNIVDAGVIITGATNDPITRPSWAVGGSFLAFRQLEQLVPEFNKYLLDNAPAGSGSLQARADLLGARMVGRWKSGAPIDLTPTADDPALGADAQRNNNFTYSHAGFDLGSDQSHCPFSAHIRKTRPRADLGGSLTPPNLSAGANSIMRSGIPYGPEVTSAESASNTTTQERGLAFVAYQAQLSQGFHFLQQTWADNANFPPGKTPATVGLDPIIGQNNGQPRVVNGLLPSNSSASLSIPQFVVSHGGEYFFSPPISAIGGRLSA,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC>>,public_strict_iteration1_fulltrue_msa,,0.3555368954202365,,s_3922a407c453485de3311bb6,test
catpreddb_km_km_6ca4285effa0fa,catpred_iteration1_km,km,B2Z9Y3,B2Z9Y3,MGNYLSISFFLLLCGITTAESQLFNSYLTLPSSCPAPDPALNYRPIIGIVSHPGDGATGRLSNATNVSYIAASYVKFAEMAGARVIPLIYTEPPQVLNQKLNLVNGIIFTGGWAKDGLYFDVIKGIFQKVLEKNDAGEHFPLLAICLGYELLTMIITNDNNILEEFSAASQASTVQFVENVNIEGTIFGRFPPVLLKKMSIDCLVMQNHHFGISPERFQVNKDLSSFFRVLTTSTDENNKVYVSTIQAQRYPIAAFQWHPEKNAFEWGSSRIPHSEDAIQVTTHVANYFISEARKSSNKPVAREVLDSLIYNNNPTYGGKAGKGYDEVYLFIPHSSSSSM,Nc1ccc(C(=O)N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1,Nc1ccc(C(=O)N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1,Nc1ccc(C(=O)N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(O)=N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.0087739243075053,,s_545eb204b224429b52bfc5e8,test
catpreddb_km_km_6cad202df92a5b,catpred_iteration1_km,km,O35298,O35298,MKFPWKVFKTTLLLLLLSHSLASVPSEDQPGDSYSHGQSCLGCVVLVSVIEQLAEVHNSSVQVAMERLCSYLPEKLFLKTACYFLVQTFGSDIIKLLDEAMKADVVCYALEFCKRGAVQPQCHLYPLPQEAWESALEKARQVLRRSSTMKYPRSGRNICSLPFLTKICQKIELSIKKAVPFKDIDSDKHSVFPTLRGYHWRGRDCNDSDKTVYPGRRPDNWDIHQDSNCNGIWGIDPKDGIPYEKKFCEGSQPRGIILLGDSAGAHFHIPPEWLTASQMSVNSFLNLPSALTDELNWPQLSGVTGFLDSTSGIEEKSIYHRLRKRNHCNHRDYQSISKNGASSRNLKNFIESLSRNQASDHPAIVLYAMIGNDVCNSKADTVPEMTTPEQMYANVMQTLTHLNSHLPNGSHVILYGLPDGTFLWDSLHNRYHPLGQLNKDVTYAQFFSFLRCLQLNPCNGWMSSNKTLRTLTSERAEQLSNTLKKIATTETFANFDLFYVDFAFHEIIEDWQKRGGQPWQLIEPVDGFHPNEVASLLQANRVWEKIQLQWPHVLGKENPFNSQIEEVFGDQGGH,CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](N=C(O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](N=C(O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](N=C(O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](N=C(O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](N=C(O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](N=C(O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.3010299956639813,,s_a1696802f8ab76cdec94ce4d,test
catpreddb_km_km_6cbbad1f0a8132,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)=CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C)=CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C)=CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_6ce859c9ff5b60,catpred_iteration1_km,km,A0A841A5T7,A0A841A5T7,MAQERVALVTGGTRGIGAAISKRLKDKGYKVAANYGGNDEAANAFKAETGIPVFKFDVGDLASCEAGIKAIEAEVGPIDILVNNAGITRDGAFHKMTFEKWQAVIKTNLDSMFTCTRPLIEGMRSRNFGRIIIISSINGQKGQAGQTNYSAAKAGVIGFAKALAQESASKGVTVNVVAPGYIATEMVMAVPEDIRNKIISTIPTGRLGEADEIAHAVEYLASDEAGFVTGSTLTINGGQHFV,C[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@H](O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_a9fe2bf93c0f5cd76f176392,test
catpreddb_km_km_6ceb359920d679,catpred_iteration1_km,km,Q9RUW4,Q9RUW4,MTKDGGKKDNQGQDKKAQQYGVTPQSVDFNDWYNEVVKKADLADNSPVAGAMVVRPYGSALWENIQRWLDDRFKASGHESLIFPTLIPMNFIMKEADHVEGFAPELFTVNKIGTEELAEPYVMRPTSETIIGHMWSGWLNSYRDLPFLHYQWGSVFRAELRTKAFLRTSEFFWHEGHTAHADEAEARAEVRQQLDLYHEFCRDVLALPVVRGEKTASERFAGAVATYSIEGMMRDGKALQSGTSHYLGQNFSRAFDVKYQTREQKEEFAHTTSWAISSRIIGAIIMTHGDDSGLMMPPRIAPIQVVVIPVGRKDNFDQMVQEGEKLAAELRAQGLRVKVDGRDGVTNGFKYNDWELKGVPVRIELGPRDLESGVLVVKNRHSEDKETLPRAEAVSGMSARLDTIHDFLMKRATDFLLANTAEVDSYDAFQREIEAGHWVRAYHCGEPACEKSIKEDTKATARNVPFDDAEFFAERGEGQCVKCGQPSAYGKRVLFGRQY,NC(CS)C(=O)O,NC(CS)C(=O)O,NC(CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_256f6a2c0d92d0ccb7648ae5,test
catpreddb_km_km_6cfd51b40aff7c,catpred_iteration1_km,km,A0A8B4RA61,A0A8B4RA61,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,O=C/C=C/c1ccccc1,O=C/C=C/c1ccccc1,O=C/C=C/c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_km_km_6d014b52afd9a5,catpred_iteration1_km,km,Q7UXY8,Q7UXY8,MRYGDIQTYSPYADTNGFPPKSFGFEKSIDGTIGPVGTSISSSICIICTRCRYDDIRSNCFACGIGAGKTRLSTMEQVGMPDFYQHDMITTIHDLRSAKLDNLESMLRESTRNHDIGLVLPVTASDMRAEPFDVIVRELAQADYIASIVVSLGVAPDQSDYDETCAKIAPLGDRAKVLWTDGPEVQGLYNELIESGIDVSVPGKGRSVWTAFGYLLDDPDIETFVLHDCDIVDYDRQLLTRLCLPMVHPGLDFEFCKAYYARVTDRMHGRVVRLLVAPLLRALMQCFPENQFVRFLGNFRYPLSGEFSLTRNLARTNRVASDWGLEVGTLADVYRNTSHKRVCQVDLARLYEHKHQTLAVDQPSSGLIKMALDILTTIYRTLASQGIVFGESTFVTLRASFLRIAQDCIRQYAADARVNSLKYDRHSEEMAIEAFAQCVTQAGEIFAADPSGNPSIPNWTRVRAAFPDFTSRLRETVK,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_0e9f9bd4c67d424b6b3f6b31,test
catpreddb_km_km_6d03d3bb6199ed,catpred_iteration1_km,km,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_577e1452403bbeb8c4453dd0,test
catpreddb_km_km_6d0546756728cc,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Nc1nc(F)nc2nc[nH]c12,Nc1nc(F)nc2nc[nH]c12,Nc1nc(F)nc2nc[nH]c12>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_6d1478b9120235,catpred_iteration1_km,km,Q9UVQ2,Q9UVQ2,MSRFQSLFFFVLVSLTAVANAAIGPVADLTLTNAQVSPDGFAREAVVVNGITPAPLITGNKGDRFQLNVIDQLTNHTMLKTSSIHWHGFFQQGTNWADGPAFVNQCPIASGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPHASLYDIDNDDTVITLADWYHVAAKLGPRFPFGSDSTLINGLGRTTGIAPSDLAVIKVTQGKRYRFRLVSLSCDPNHTFSIDNHTMTIIEADSINTQPLEVDSIQIFAAQRYSFVLDASQPVDNYWIRANPAFGNTGFAGGINSAILRYDGAPEIEPTSVQTTPTKPLNEVDLHPLSPMPVPGSPEPGGVDKPLNLVFNFNGTNFFINDHTFVPPSVPVLLQILSGAQAAQDLVPEGSVFVLPSNSSIEISFPATANAPGFPHPFHLHGHAFAVVRSAGSSVYNYDNPIFRDVVSTGQPGDNVTIRFETNNPGPWFLHCHIDFHLDAGFAVVMAEDTPDTKAANPVPQAWSDLCPIYDALDPSDL,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-1.4653300225292565,,s_d45fcdab7810d2b63f6ed638,test
catpreddb_km_km_6d2096d53c8c1b,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.4559319556497243,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_6d4812f38e32a2,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,ClC/C=C\CCl.O=C(O)[C@H]1NCCC[C@H]1C(=O)O,ClC/C=C\CCl.O=C(O)[C@H]1NCCC[C@H]1C(=O)O,ClC/C=C\CCl.O=C(O)[C@H]1NCCC[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6532125137753437,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_6d5914a3e95b28,catpred_iteration1_km,km,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_2764a837703abb2f4c81a0d2,test
catpreddb_km_km_6d6459cbf87352,catpred_iteration1_km,km,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,Nc1ccc(N)cc1,Nc1ccc(N)cc1,Nc1ccc(N)cc1>>,public_strict_iteration1_fulltrue_msa,,0.9867486543660317,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_km_km_6d645b150d8d40,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_6d7acb37d4a893,catpred_iteration1_km,km,Q5V676,Q5V676,MFLYLYSIFGNCFHPITRPGGCDRRHENGFPQPTRNGSMRAAIYRGPGDITVEEVPRPEIESPTDAIVRVTHTAVCGSDLWFYRGQSDREEGSRVGHEPMGIVEEVGDDVRSVEPGDRVFAPFVVSCGRCEFCRKGLHTSCVNGDSWGGDNGGGQGEYVRATEADGTLVRVPDRHADDEDTLEAILPLTDVMGTGHHAAVSAGVSEGDTCIVVGDGAVGLCGVLAARRLGAERIIAMGHHEDRLELAESFGATETVAARGQDAVDAADDLTNGGANHVLECVGAASAMETAIDVCRPGGTVGYVGVPHGLDDSGLDMFSLFGDNIGLNGGIAPVRAYADELLADVLQGTLDPSPIFTKTVDLNGVPEGYQAMDEREAIKVLVKL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.9956786262173574,,s_39557efc97d3e38125bd4282,test
catpreddb_km_km_6d8eaf153ddebd,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@H](C(=O)O)[C@@H](C)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@H](C(=O)O)[C@@H](C)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@H](C(=O)O)[C@@H](C)O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_6da1383c3406cf,catpred_iteration1_km,km,Q95JH5,Q95JH5,MDPKYQRVALNDGHFMPVLGFGTYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1426675035687315,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_6da5260bbc0658,catpred_iteration1_km,km,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NCCSSCCN,NCCSSCCN,NCCSSCCN>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_km_km_6dd55a220c16dd,catpred_iteration1_km,km,B0V8W9,B0V8W9,MKSFKVALAQFSPHIGNIDSNTQKMIEQANQAKKQDADLIIFPELSVIGYPAEDLLLRPNLNKRMQKAFAQLSEVKDIVMVFGFVNQTEDGQRYNSAAVMKDGQVLGVFNKHNLPNYGVFDEKRYFQKGHQHLVFEYLGHKFGVLICEDIWSINTVKQLSQLNVDTVLVLNSSPYEVGKPQHRKQTLSELAKQLHLNIVYVNQVGGQDDLIFDGTSFVSNQNGEIALQAPSFKEDLYIAEFDRDTKLYKVVESAPALETFAEIYQGLVMATRDYVERSGFPGVILGLSGGIDSALTLAIAVDAIGAERVQAVMMPYTYTSQISVEDAAEQARRMGVTFGIAEIHSIVNSFMQTLYPFFGNSPADATEENLQARARGTLLMGLSNKFGNLVLSTGNKSELSVGYCTLYGDMVGGFAVLKDVYKTIVFELAKYRNSLSETPVIPERVITRPPSAELRPDQKDQDSLPAYDVLDAILYAYIEEDLGQADIIAKGFDKEVVEKVIRLVDRNEYKRRQGAIGPRITSRAFSRERRYPIVNGWTAND,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_7c4a98d7ecd761e629472228,test
catpreddb_km_km_6e01b6c0a8990e,catpred_iteration1_km,km,Q38707,Q38707,MAKSSEIEHPVKAFGWAARDTTGLLSPFKFSRRATGEKDVRLKVLFCGVCHSDHHMIHNNWGFTTYPIVPGHEIVGVVTEVGSKVEKVKVGDNVGIGCLVGSCRSCESCCDNRESHCENTIDTYGSIYFDGTMTHGGYSDTMVADEHFILRWPKNLPLDSGAPLLCAGITTYSPLKYYGLDKPGTKIGVVGLGGLGHVAVKMAKAFGAQVTVIDISESKRKEALEKLGADSFLLNSDQEQMKGARSSLDGIIDTVPVNHPLAPLFDLLKPNGKLVMVGAPEKPFELPVFSLLKGRKLLGGTINGGIKETQEMLDFAAKHNITADVEVIPMDYVNTAMERLVKSDVRYRFVIDIANTMRTEESLGA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.896196279044043,,s_84ddf20cad6ec362da938691,test
catpreddb_km_km_6e15700dfc2327,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.7619538968712043,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_6e2d7c4bf2995b,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.1845984042706377,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_6e2dc75dfa19ef,catpred_iteration1_km,km,P74334,P74334,MVTSPPTSSPSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIGDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRGVFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSNLATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSSTLTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEKQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESGTETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILDAQDITAPAIATLKLKHHIPYPLHGSWAQT,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-2.853871964321762,,s_70ae931ba6eb5833a7ffc65c,test
catpreddb_km_km_6e4b867a57b8b3,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](N)[C@@H](CO)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_6e4e934c8f3e20,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_6e64c753190eee,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,NC(CS(=O)(=O)O)C(=O)O,NC(CS(=O)(=O)O)C(=O)O,NC(CS(=O)(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_6e6bf7dbc53c04,catpred_iteration1_km,km,Q9SUC0,Q9SUC0,MAIRRAQTLLCLSKFKTNFVSGSLHRFSSSSQNSNQFQNVGFIGLGNMGFRMVNNLIRAGYKVTVHDINRDVMKMFTEMGVSSRETPYEVAQDSEVVITMLPSSSHVMDVYTGTNGLLLGENDIRPALFIDSSTIDPQTTRKISLAVSNCNLKEKRDNWEKPVMLDAPVSGGVLAAEAGTLTFMVGGPEDAYLAARPILQSMGRTSIYCGGSGNGSAAKICNNLAMAVSMLGTSEALALGQSLGISASTLTEVLNTSSGRCWSSDAYNPVPGVMKGVPSSRDYNGGFASKLMAKDLNLAAASAEEVGHKSPLISKAQEIYKKMCEEGHETKDFSCVFRHFYNGKDEV,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_3928aa6b0bbfef3c28d9ea2c,test
catpreddb_km_km_6e8d77ecb3f7c3,catpred_iteration1_km,km,A0A6F8QRG1,A0A6F8QRG1,MASSNRVITYMGPKKVELQTFDFPKLVDPKGNATPHGAILKIVTTNICGSDQHIYRGRFPAPSGMVLGHEMTGEVIETGPDVHFIRKGDLCSVPFNVSCGRCRNCKERHTDTCMNVNDAVDCGAYGFNLGGWQGGQSDYLMVPYADWNLLRFPDKDQALAKIRDLTLLSDILPTGFHGCIQAGVKYGSTVYIAGAGPVGRCAAASAQLLGASCIIVGDINSKRLALVKSAGYETVDLSSETPLADQIEAILGAREVDCGVDAVGFEAHGNGPGAGEDPAAVLNAMVEVVRANGAVGAPGIYTPGDPQAIDDDAKAGRYRIDFGKAWIKSPHISAGQAPIMHYNRDLMMAILWDRMPYLGKVVNVEVIPLERATEAYRIFDQGAPKKFVIDPHNTTKLVA,C=O,C=O,C=O>>,public_strict_iteration1_fulltrue_msa,,2.9395192526186187,,s_b718b17669a2c1894d7dbf7f,test
catpreddb_km_km_6eafec0c4f5365,catpred_iteration1_km,km,Q9S795,Q9S795,MAIPMPTRQLFIDGEWREPILKKRIPIVNPATEEVIGDIPAATTEDVDVAVNAARRALSRNKGKDWAKAPGAVRAKYLRAIAAKVNERKTDLAKLEALDCGKPLDEAVWDMDDVAGCFEFYADLAEGLDAKQKAPVSLPMESFKSYVLKQPLGVVGLITPWNYPLLMAVWKVAPSLAAGCTAILKPSELASVTCLELADICREVGLPPGVLNVLTGFGSEAGAPLASHPGVDKIAFTGSFATGSKVMTAAAQLVKPVSMELGGKSPLIVFDDVDLDKAAEWALFGCFWTNGQICSATSRLLVHESIASEFIEKLVKWSKNIKISDPMEEGCRLGPVVSKGQYEKILKFISTAKSEGATILHGGSRPEHLEKGFFIEPTIITDVTTSMQIWREEVFGPVLCVKTFASEDEAIELANDSHYGLGAAVISNDTERCDRISEAFEAGIVWINCSQPCFTQAPWGGVKRSGFGRELGEWGLDNYLSVKQVTLYTSNDPWGWYKSPN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.7806813669156942,,s_c6badf741a6ac9e541eb699e,test
catpreddb_km_km_6eb6fc35a1a347,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,N=C(O)c1csc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1,N=C(O)c1csc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1,N=C(O)c1csc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.431798275933005,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_6eb7b06bd92db2,catpred_iteration1_km,km,C4MB67,C4MB67,MKKIFVIGITGSICSGKSRLCKALQSKGIKTIDSDTIGHDVILQEDVKKEIKESFGEEVFNEEGQVDRKRLSDVVFTNKKQLKKLNEIMWNSIENKIKEQIQQLEIQGEKIVAVEAALLIRTNWMSWMDMIWVTTVSPEIAIARMTAGRGMTREECINRMKNQPSSREYARYADILFDTRFNRGTLERIFNREINAFLIDFNENKF,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.707743928643524,,s_1698d105881e5c9fcbbe5449,test
catpreddb_km_km_6eba066121735b,catpred_iteration1_km,km,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccccc1O,COc1ccccc1O,COc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_bae6cc38bc66160b71e73176,test
catpreddb_km_km_6ec200ed53e15f,catpred_iteration1_km,km,A6XIG6,A6XIG6,MSEQAVEVSPKCLGPQHHINPLRFVMPPGSWDTHFHVFGPTTKYPYSETRKYTPPDSPFEEYVKLMLALGIERGVCVHPNIHGPDNSVTLDAVERSEGRFLAIVKIAPDVTLPQLKEMKKKGACGVRFAFNPEHGSGELDTALFDRVVQWCGELDWCVNLHFASNAIHSLAERLSQLTIPTLIDHFGRVHPTKGVDQPDFKTLVDLMRLPHMWVKLTGADRISRNSPSYQDVVPLARTLVDVAPDRVIWGTDWPHSGYFDVKRMPNDGDLTNLLLDFAPSEEQRRRILVDNPSRLFGQVAKGA,O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1,O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1,O=C([O-])CC1(S(=O)(=O)[O-])C=CC(=O)O1>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_91fdc4d4c6d58db440fa82bf,test
catpreddb_km_km_6ec453e50160ed,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_6ecc9db217827a,catpred_iteration1_km,km,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.518557371497695,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_km_km_6ee3145d223b32,catpred_iteration1_km,km,P82450,P82450,MVSPRPVGLMLLLIIARVSRGAGIGFRFASYIDNYMVLQKEPSGAVIWGFGTAGATVTVTLCQGQETIMKKVTSVKGPSNTWMVVLDPMKPGGPFEVMAQQTLETTNLTLRVHDVLFGDVWLCSGQSNMQMTVLQIFNASKELSDTAAYQSVRIFSVSLTQAEEELADLDGVDLSWSKPTAGNLGHGNFTYMSAVCWLFGRYLYDTLQYPIGLVSSSWGGTPIEVWSSRRALKACGVPNTRDERVLQPEIKPMRNGCESKESSCPFRRFVPCDPVAGPATHSVLWNAMIHPLQNMTLKGVVWYQGENNANYNRDLYACMFPALIAGWRQTFHSGCQGQTERFFPFGFVQLSSYLLMNSSDYGFPEIRWHQTADFGSVPNPKMPNTFMAVAMDLCDRDSPFGSIHPRDKQTVAYRLHLGARAVAYGEKNLTFQGPLPKKIELLARNELLNLTYDQEIQVQRKDNKTFEISCCSDHQCKWLPAPVNTFSTQTLILDLSACLGTVDAVRYAWTTWPCEYKQCAVYHTSSVLPAPPFTARITHRGI,CC(=O)Oc1cccc2ccccc12,CC(=O)Oc1cccc2ccccc12,CC(=O)Oc1cccc2ccccc12>>,public_strict_iteration1_fulltrue_msa,,0.2329961103921538,,s_7ebacc96063747ffb7e0b7cf,test
catpreddb_km_km_6ee944153dd54c,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_6eed174eba9111,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_6f05fb15cf716d,catpred_iteration1_km,km,Q9L555,Q9L555,MKVLFTTFAAKSHMHAQVPLAWALQTAGHEVRIASQPDLAEDITRTGLTAVCVGEPLLLEEQMQRVNEGLGDDAEIMESQAEAGMDMTETRPEMLTWDHVLGVFTSMTAMAFQNSCPERMIDDVVAFAREWQPDLIVWDTLSFAGPVAAQVTGAAHARLLFGLDLLGRMRETFLDLQEERLPEQRDDPLREWLTWTLGRYGAEFEEEVAVGQWTVDPVPPSMRFPVKQPFVPLRYIPYNGQAVIPDWLHEPPKKRRVCLTLGVAHREVLDGDRASIGELVEALAELDVEVVATLNEKQLAGMELPDNVRAVDFVPLNALLPTCSAVIHHGGSGTFQTALAHGVPQLIVPDMVWDTIHKAKQLERFGAGLYLHDVDNYTAQDLRDHLLRLLEEPSFAENCARIRREMVGTPSPNDIVPLLEKLTAEHRRDRGARGTVRGEQ,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.0268721464003013,,s_97ef0c32eac98fa1480a9b5a,test
catpreddb_km_km_6f16137fe3a88c,catpred_iteration1_km,km,P00366,P00366,MYRYLGEALLLSRAGPAALGSASADSAALLGWARGQPAAAPQPGLVPPARRHYSEAAADREDDPNFFKMVEGFFDRGASIVEDKLVEDLKTRETEEQKRNRVRSILRIIKPCNHVLSLSFPIRRDDGSWEVIEGYRAQHSQHRTPCKGGIRYSTDVSVDEVKALASLMTYKCAVVDVPFGGAKAGVKINPKNYTDNELEKITRRFTMELAKKGFIGPGVDVPAPDMSTGEREMSWIADTYASTIGHYDINAHACVTGKPISQGGIHGRISATGRGVFHGIENFINEASYMSILGMTPGFGDKTFVVQGFGNVGLHSMRYLHRFGAKCITVGESDGSIWNPDGIDPKELEDFKLQHGTILGFPKAKIYEGSILEVDCDILIPAASEKQLTKSNAPRVKAKIIAEGANGPTTPEADKIFLERNIMVIPDLYLNAGGVTVSYFEWLNNLNHVSYGRLTFKYERDSNYHLLMSVQESLERKFGKHGGTIPIVPTAEFQDRISGASEKDIVHSGLAYTMERSARQIMRTAMKYNLGLDLRTAAYVNAIEKVFRVYNEAGVTFT,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3274163648818894,,s_863067971e96600ee73ae55f,test
catpreddb_km_km_6f162867dab681,catpred_iteration1_km,km,A0A6A5Q059,A0A6A5Q059,MSSLISKTIKYDPAKDKLITLACGCFWGTEHMYRKYLNDRIVDCKVGYANGEESKKDSPSSVSYKRVCGGDTDFAEVLQVSYNPKVITLRELTDFFFRIHDPTTSNSQGPDKGTQYRSGLFAHSDADLKELAKIKEEWQPKWGNKIATVIEPIKNFYDAEEYHQLYLDKNPQGYACPTHYLREM,C[S@](=O)CC[C@H](N)C(=O)O,C[S@](=O)CC[C@H](N)C(=O)O,C[S@](=O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3565473235138126,,s_8c237b7161c6334f437c94e8,test
catpreddb_km_km_6f22f90d91715d,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.1191864077192086,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_6f2659ab76cfaa,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(C)(C)C1=CC(O)C2OC2C1=O,CC(C)(C)C1=CC(O)C2OC2C1=O,CC(C)(C)C1=CC(O)C2OC2C1=O>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_6f3663cb376a98,catpred_iteration1_km,km,H1AAP2,H1AAP2,MEKSNTDALLENNRLYAGGQATHRPGHPGMQPIQPSRRVAVVACMDARLDVEDLLGLQTGEAHIIRNAGGVINEDAIRCLIISHHLLNTHEIILVHHTRCGMLAFTDDLLRAGLEGDAAAEKLIGQATGRAFVSAGKASASPAAFQAFRGPPEPLDAPRSDASTERIAADVRRGLSIILNHPWLPTAGPDAITVRGFIYDVDTGRLEEVSYPGPMGGFG,O=C=S,O=C=S,O=C=S>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_79a24e45e8c50aa391b052db,test
catpreddb_km_km_6f3c5a083ddde4,catpred_iteration1_km,km,Q8IXL6,Q8IXL6,MKMMLVRRFRVLILMVFLVACALHIALDLLPRLERRGARPSGEPGCSCAQPAAEVAAPGWAQVRGRPGEPPAASSAAGDAGWPNKHTLRILQDFSSDPSSNLSSHSLEKLPPAAEPAERALRGRDPGALRPHDPAHRPLLRDPGPRRSESPPGPGGDASLLARLFEHPLYRVAVPPLTEEDVLFNVNSDTRLSPKAAENPDWPHAGAEGAEFLSPGEAAVDSYPNWLKFHIGINRYELYSRHNPAIEALLHDLSSQRITSVAMKSGGTQLKLIMTFQNYGQALFKPMKQTREQETPPDFFYFSDYERHNAEIAAFHLDRILDFRRVPPVAGRMVNMTKEIRDVTRDKKLWRTFFISPANNICFYGECSYYCSTEHALCGKPDQIEGSLAAFLPDLSLAKRKTWRNPWRRSYHKRKKAEWEVDPDYCEEVKQTPPYDSSHRILDVMDMTIFDFLMGNMDRHHYETFEKFGNETFIIHLDNGRGFGKYSHDELSILVPLQQCCRIRKSTYLRLQLLAKEEYKLSLLMAESLRGDQVAPVLYQPHLEALDRRLRVVLKAVRDCVERNGLHSVVDDDLDTEHRAASAR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.1436751491863943,,s_74c6a52e6f4784f645547c3e,test
catpreddb_km_km_6f4fbf20a47475,catpred_iteration1_km,km,A0A1B4XQN4,A0A1B4XQN4,MKKVLMGVLSLGLLLGAATGCTSDQEKAAGKTKASSEKTEATSGASANGYTDPSELKDSYDVVIVGSGGAGMTAALQAKEAGMNPVILEKMPVAGGNTIKSSSGMNASQTKFQEKEGIKDSNDKFFEETLKGGKGTNDQELLRYFVDHSAEAIDWLDTKGITLSNLTITGGMSEKRTHRPADGSAIGGYLVDGLVRNVREEKIPLFVDADVTDLVEENGQIDGVKVKMKDDKEKTVKAKAVVVTTGGFGANEKLITQYKPELKNYVTTNQEGTTGDGIQMIQKVGGALVDMKEIQIHPTVQQSDAFLIGEAVRGEGAILASQKGERFVNELDTRDKVSAAINALPEKSAYLVFDQGVRDRAKAIDFYDQKGFVEKGETIEELAEKIGMPADTLKATIDTWNQDVNAKDDKQFGRTTGMEADLSTAPYYAIKIAPGIHHTMGGVKINTKTEVLREDGTPIKGLYAAGELTGGLHGQNRIGGNAIADIIIYGRQAGTQSAEFASAQK,Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2,Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2,Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2>>,public_strict_iteration1_fulltrue_msa,,-0.7099653886374819,,s_ab54752a67fa78512d0ff956,test
catpreddb_km_km_6f57e84148719c,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.706649882040626,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_6f71ba487c7f19,catpred_iteration1_km,km,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,O=C(O)c1cc2cccc(O)c2cc1O,O=C(O)c1cc2cccc(O)c2cc1O,O=C(O)c1cc2cccc(O)c2cc1O>>,public_strict_iteration1_fulltrue_msa,,-0.453457336521869,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_km_km_6f77ae24aeb4e8,catpred_iteration1_km,km,P97852,P97852,MASPLRFDGRVVLVTGAGGGLGRAYALAFAERGALVVVNDLGGDFKGVGKGSSAADKVVEEIRRRGGKAVANYDSVEAGEKLVKTALDTFGRIDVVVNNAGILRDRSFSRISDEDWDIIQRVHLRGSFQVTRAAWDHMKKQNYGRIIMTASASGIYGNFGQANYSAAKLGLLGLANTLVIEGRKNNIHCNTIAPNAGSRMTETVMPEDLVEALKPEYVAPLVLWLCHESCEENGGLFEVGAGWIGKLRWERTLGAIVRKRNQPMTPEAVRDNWVKICDFSNASKPKSIQESTGGIIEVLHKIDSEGISQNHTGQVASADASGFAGVVGHKLPSFSSSYTELQCIMYALGVGASVKNPKDLKFVYEGSADFSCLPTFGVIVAQKSLMSGGLAEVPGLSINFAKVLHGEQYLELYKPLPRSGELKCEAVIADILDKGSGIVIVMDVYSYSGKELICYNQFSVFVVGSGGFGGKRTSEKLKAAVAVPSRPPDAVLRDTTSLNQAALYRLSGDSNPLHIDPSFASIAGFEKPILHGLCTFGFSARHVLQQFADNDVSRFKAIKVRFAKPVYPGQTLQTEMWKEGNRIHFQTKVQETGDIVISNAYVDLVPTSGVSAQTPSEGGALQSALVFGEIGRRLKDVGREVVKKVNAVFEWHITKNGNVAAKWTIDLKNGSGEVYQGPAKGSADTTITISDEDFMEVVLGKLNPQNAFFSGRLKARGNIMLSQKLQMILKDYAKL,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,1.7781512503836436,,s_9becf2a8fe0eaa406b93aa54,test
catpreddb_km_km_6f84f497f59018,catpred_iteration1_km,km,P38993,P38993,MTNALLSIAVLLFSMLSLAQAETHTFNWTTGWDYRNVDGLKSRPVITCNGQFPWPDITVNKGDRVQIYLTNGMNNTNTSMHFHGLFQNGTASMDGVPFLTQCPIAPGSTMLYNFTVDYNVGTYWYHSHTDGQYEDGMKGLFIIKDDSFPYDYDEELSLSLSEWYHDLVTDLTKSFMSVYNPTGAEPIPQNLIVNNTMNLTWEVQPDTTYLLRIVNVGGFVSQYFWIEDHEMTVVEIDGITTEKNVTDMLYITVAQRYTVLVHTKNDTDKNFAIMQKFDDTMLDVIPSDLQLNATSYMVYNKTAALPTQNYVDSIDNFLDDFYLQPYEKEAIYGEPDHVITVDVVMDNLKNGVNYAFFNNITYTAPKVPTLMTVLSSGDQANNSEIYGSNTHTFILEKDEIVEIVLNNQDTGTHPFHLHGHAFQTIQRDRTYDDALGEVPHSFDPDNHPAFPEYPMRRDTLYVRPQSNFVIRFKADNPGVWFFHCHIEWHLLQGLGLVLVEDPFGIQDAHSQQLSENHLEVCQSCSVATEGNAAANTLDLTDLTGENVQHAFIPTGFTKKGIIAMTFSCFAGILGIITIAIYGMMDMEDATEKVIRDLHVDPEVLLNEVDENEERQVNEDRHSTEKHQFLTKAKRFF,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-2.4181377876044348,,s_47d6ad19027377fc8c915789,test
catpreddb_km_km_6f87e216a3f366,catpred_iteration1_km,km,P50635,P50635,MAGRPGYSEVIFLYVVSVAVIARATDNMPVNKDVSKLFPLTLIHINDLHARFEETNMKSNVCTQKDQCIAGIARVYQKIKDLLKEYESKNPIYLNAGDNFQGTLWYNLLRWNVTADFIKKLKPAAMTLGNHEFDHTPKGLAPYLAELNKEGIPTIVANLVMNNDPDLKSSKIPKSIKLTVGKRKIGIIGVLYDKTHEIAQTGKVTLSNAVEAVRREAAALKKDNIDIIVVLSHCSYEEDKKIAAEAGDDIDVIVGAHSHSFLYSPDSKQPHDPKDKVEGPYPTLVESKNKRKIPIVQAKSFGKYVGRLTLYFDEEGEVKNWEGYPVFIDHKVQQDPQILKDLVPWRAKVEAIGSTVVGETMIELDRDSCRDQECTLGVLYADGFADQYTNDTFRPFAIIQAGNFRNPIKVGKITNGDIIEAAPFGSTADLIRLKGADIWDVAEHSFALDDEGRTNCLQVSGLRIVIDISKPVRSRVKKIEVMDYTNPKSDKLKPLDKEAEYYIVVPSYLADGKDGFSAMKRATARRTGPLDSDVFKNYVEKIKKVDNLKLGRVIVCKGSKCT,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_e96f30e1fc41bcadeee01604,test
catpreddb_km_km_6f8d78debc449b,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,CC(N)C(=O)NC(C)C(=O)O,CC(N)C(=O)NC(C)C(=O)O,CC(N)C(=O)NC(C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0086001717619175,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_6f9b98c2ba5c44,catpred_iteration1_km,km,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,O=CC(O)CO,O=CC(O)CO,O=CC(O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_132f66001f653d7ed2ddbe90,test
catpreddb_km_km_6fa5aa642cdb3f,catpred_iteration1_km,km,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_b8c0da372cb95f619176f62b,test
catpreddb_km_km_6fd2e38548aae8,catpred_iteration1_km,km,P08077,P08077,MSSSDHIHVPDGLAESYSRSGGEEGRAWIAGLPALVARCVDRWELKRDGGVRSGEASLVVPVLRADGTRAALKLQMPREETTAALIGLRAWGGDGMVRLLDHDEESSTMLLERLDGSRTLASVEDDDEAMGVLAGLLNRLHSVPAPPGLRGLGEIAGAMVEEVPSAVDSLADPEDRSRLRGWASAVAELVGEPGDRVLHWDLHYENVLAAEREPWLAIDPEPLVGDPGFDLWPALDTGWERIEATGDARRVVRRRFDLLTESLELDRGRAAGWTLARLLQNTLWDIEDGLTAIAPSQIAVAEALAKP,N=C(N)N[C@@H]1[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@H](O)[C@H]1O,N=C(N)N[C@@H]1[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@H](O)[C@H]1O,N=C(N)N[C@@H]1[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.4471580313422192,,s_22acfffc40458a5bd935a5a3,test
catpreddb_km_km_6fe08b8b34efc1,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CCC(O)=NCC(O)=N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCSC)C(=O)O)C(C)C,CCC(O)=NCC(O)=N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCSC)C(=O)O)C(C)C,CCC(O)=NCC(O)=N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(O)=N[C@H](C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCSC)C(=O)O)C(C)C>>,public_strict_iteration1_fulltrue_msa,,1.5118833609788744,,s_955f208818110e17c458234b,test
catpreddb_km_km_6fed03f9fed3bb,catpred_iteration1_km,km,Q65CC7,Q65CC7,MHLLVRALVEEMAGRGVPHRVLTMSPPKVPKDIRIGQRIKVHARRLPVLPIPSDLEGYFGLVGAWAKGSLLWVLRNRKRLRREIGARVHAHCDGSGAAAFYPYLMSRILGVPLVVQIHSSRYLSQHPTTLFERVTDPIAKWAERHAVRKAAAVLMLTDRARDEMRRKAQLPAERVHRLAYLASDQFKDADTEARRAELRERYGLDDRPIVLYVGRIAAEKGVEYYIEAAAELTRRGRDCQFVIAGDGPARPDLEKLIGARGLRDRVTITGFMSHEFIPSMISLGELVVLPSRYEELGIVILECMTMRRPLVAHDVNGVNKLIEDGTTGIVVPPFRTPEMADAVERLLDDPELRERMAENAAPLPAAKYSLSAAGDQLAGIYREIGL,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.585026652029182,,s_6ee1d2392fde898fa85f518c,test
catpreddb_km_km_700f86bcfe4fc9,catpred_iteration1_km,km,A5JTV4,A5JTV4,AITRRVACLDGVNTATNAACCALFAVRDDIQQNLFDGGECGEEVHESLRLTFHDAIGISPSLAATGKFGGGGADGSIMIFDDIEPNFHANNGVDEIINAQKPFVAKHNMTAGDFIQFAGAVGVSNCPGAPQLSFFLGRPAATQPAPDGLVPEPFDSVTDILNRFADAGGFTTQEVVWLLASHSIAAADHVDPTIPGSPFDSTPEIFDTQFFVETLLKGTLFPGTSGNQGEVESPLAGEIRLQSDADFARDSRTACEWQSFVNNQPRMQVLFKAAMQKLSILGHDLTQMIDCSDVIPVPPSTAVRGSHLPAGNTLDDIEQACASTPFPSLTADPGPATSVAPVPPS,Oc1cccc2ccccc12,Oc1cccc2ccccc12,Oc1cccc2ccccc12>>,public_strict_iteration1_fulltrue_msa,,1.8450980400142567,,s_ba4ab0237d968158eaf62550,test
catpreddb_km_km_7015e2664f61c9,catpred_iteration1_km,km,Q8CFX1,Q8CFX1,MLLAAMCLALLGCLQAQELKGHVSIILLGATGDLAKKYLWQGLFQLYLDEAGKGHSFSFHGAALTAPQQGQKLMDKVLESLSCPKDLVPSRCDELKGQFLQLSQYRQLKTVEDYQTLNKDIETQVQQDGLWEAGRIFYFSVPPFAYADIARNINSSCRPHPGAWLRVVFEKPFGHDHLSAQQLASELGSFFQEEEMYRVDHYLGKQAVAQILPFRDQNRKALDGLWNRHHVERVEIILKETIDAEGRASFYEEYGVIRDTLQNHLTEILTLVAMELPLNISSSAAVLQHKLWAFQALRGLQKSSAILGQYQAYSGQVRRELQKPDGFQSLTPTFAGVLVHIDNLRWEGVPFILMSGKALDERVGYVRIVFKNRAYCTQSERHWVPEQSRCLPQQIIFYIGHGELGHPAILVSRNLFKPSLPTQKWKEVQDQPGLRLFGRPLSDYYAYRPVREQDAYSTLLSHIFHCRKESFITTENLLASWVFWTPLLDSLAFEVPRPYPGGAENGQLLDFEFSGGQLTFSQQQLEVLIPDLGSVPKPSDFQVLGARYRQSPLITAWPEELISKLASDIEAAAVQAVRHFGKFHLALSGGSSPIALFQQLATGHYSFPWAHTHLWLVDERCVPLSDPDSNFQGLQAHLLQHVRVPYYNIHPMPVHLHQRLCAEEDQGAQTYASEISALVANSSFDLVLLGMGTDGHTASLFPQSPTGLDGDQLVVLTESPFRPHQRMSLSLPLINRAKKVAVLVMGRTKREITTLVSRVGHEPKKWPISGVVPLSGQLVWYMDYEAFLG,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,2.9493425450310227,,s_c9e6061fcb35fa36b2f38e0f,test
catpreddb_km_km_701a404c22de16,catpred_iteration1_km,km,P38993,P38993,MTNALLSIAVLLFSMLSLAQAETHTFNWTTGWDYRNVDGLKSRPVITCNGQFPWPDITVNKGDRVQIYLTNGMNNTNTSMHFHGLFQNGTASMDGVPFLTQCPIAPGSTMLYNFTVDYNVGTYWYHSHTDGQYEDGMKGLFIIKDDSFPYDYDEELSLSLSEWYHDLVTDLTKSFMSVYNPTGAEPIPQNLIVNNTMNLTWEVQPDTTYLLRIVNVGGFVSQYFWIEDHEMTVVEIDGITTEKNVTDMLYITVAQRYTVLVHTKNDTDKNFAIMQKFDDTMLDVIPSDLQLNATSYMVYNKTAALPTQNYVDSIDNFLDDFYLQPYEKEAIYGEPDHVITVDVVMDNLKNGVNYAFFNNITYTAPKVPTLMTVLSSGDQANNSEIYGSNTHTFILEKDEIVEIVLNNQDTGTHPFHLHGHAFQTIQRDRTYDDALGEVPHSFDPDNHPAFPEYPMRRDTLYVRPQSNFVIRFKADNPGVWFFHCHIEWHLLQGLGLVLVEDPFGIQDAHSQQLSENHLEVCQSCSVATEGNAAANTLDLTDLTGENVQHAFIPTGFTKKGIIAMTFSCFAGILGIITIAIYGMMDMEDATEKVIRDLHVDPEVLLNEVDENEERQVNEDRHSTEKHQFLTKAKRFF,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-2.922331981267469,,s_47d6ad19027377fc8c915789,test
catpreddb_km_km_7030a29e1a36df,catpred_iteration1_km,km,B2RQC6,B2RQC6,MAALVLEDGSVLQGRPFGAAVSTAGEVVFQTGMVGYPEALTDPSYKAQILVLTYPLIGNYGIPSDEEDEFGLSKWFESSEIHVAGLVVGECCPTPSHWSANCTLHEWLQQRGIPGLQGVDTRELTKKLREQGSLLGKLVQKGTEPSALPFVDPNARPLAPEVSIKTPRVFNAGGAPRICALDCGLKYNQIRCLCQLGAEVTVVPWDHELDSQKYDGLFLSNGPGDPASYPGVVSTLSRVLSEPNPRPVFGICLGHQLLALAIGAKTYKMRYGNRGHNQPCLLVGTGRCFLTSQNHGFAVDADSLPAGWAPLFTNANDCSNEGIVHDSLPFFSVQFHPEHRAGPSDMELLFDVFLETVREAAAGNIGGQTVRERLAQRLCPPELPIPGSGLPPPRKVLILGSGGLSIGQAGEFDYSGSQAIKALKEENIQTLLINPNIATVQTSQGLADKVYFLPITLHYVTQVIRNERPDGVLLTFGGQTALNCGVELTKAGVLARYGVRDDLLQRLHHNPRRIFHLPLQEDTYVEVDLEHEWTVPSHMPFSKARWTPFEGQKVKGTVRRVVLRGEVAYIDGQVLVPPGYGQDVRKWPQGVVPQPPPSTPATTEITTTPERPRRVIPGLPDGRFHLPPRIHRASDPGLPAEEPKEKPPRKVVEPELMGTPDGPCYPAPPVPRQASPQNLGSSGLLHPQMSPLLHSLVGQHILSVKQFTKDQMSHLFNVAHTLRMMVQKERSLDILKGKVMASMFYEVSTRTSSSFAAAMARLGGAVLSFSEATSSVQKGESLADSVQTMSCYADVIVLRHPQPGAVELAAKHCRRPVINAGDGVGEHPTQALLDIFTIREELGTVNGMTITMVGDLKHGRTVHSLACLLTQYRVSLRYVAPPSLRMPPSVRDFVASRGTKQEEFESIEEALPDTDVLYMTRIQKERFGSVQEYEACFGQFILTPHIMTRAKKKMVVMHPMPRVNEISVEVDSDPRAAYFRQAENGMYIRMALLATVLGRF,NC(=O)NC(CC(=O)O)C(=O)O,NC(=O)NC(CC(=O)O)C(=O)O,NC(=O)NC(CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5636855861929835,,s_4bb690c50bdd7ba5ece14341,test
catpreddb_km_km_703a20f5408791,catpred_iteration1_km,km,B6E2X2,B6E2X2,MSFRTQPPAPARLNRCQLFGPGSRPAIFEKMAQSAADVINLDLEDSVAPDDKPQARRNIIEASHNIDWGNKYLSVRINGLDTPFWYRDVVELLEDGSERIDQIMIPKVGCAADVYAVDALVTAIEAAKGRKKRISLEVIIESAAGIAHVEEIAAASPRLQAMSLGAADFAASMGMATTGIGGTQENYYMLHAGVKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQALRSATLGMVGKWAIHPKQVALANEVFTPSDAAVAEAREILAAMEKAKAEGAGATVYKGRLVDIASIRQAEVIVRQAEMAKV,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_d20d8d975a86869d0f4564a7,test
catpreddb_km_km_703b0f67161839,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_704696bd00646e,catpred_iteration1_km,km,A0A165SC98,A0A165SC98,MKGKLKLFLAVGAISVIVAGCANANSQNGMKGTDQPKMNMGDSQQNTSQNKEQSGDMKLTQATPVADGKEFTITAQASNLKVSDDVTLPVWTFNNSVPGPQIRVKVGDTVKVKLKNELEEPVSIHWHGYPVPNNMDGIPGVTQDAVAAGKEFTYEFKATVPGTYWYHSHQDSVNQLDKGLYGTLIVEDPSESYDRDYTIVLDEWMSSGEMDMSNNEDMEGMDHSQMDMGDTSNNEDMQGMDHSQMDMGNTSNNEDMEGMDHSQMDMGDTSNMTEMAGHDMSMYDVYTMNGKTGDAIDKLTVKKGDKVRIRLVNAGYITHTIHLHGHEFKVIASDGQPVNSPAVITDQGIAIAPGERYDLEFTANNPGSWLLEEHGKEDRVKNMRAVIEYEGVPDRPDASNANEELPTFDLTKYGQQARTNFSLDQKFDQDVKLDLNTEMKAGEMVYTINGKLFPDTDPIKVDKGDKVKVTFVNNSKTDDHPMHLHGHFFQVLSKNGKPLEGTPVIKDTLNVKPGEEYVVAFEADNPGDWMFHCHDLHHASAGMVTDVMYNGYNSNYTPDPTVGNKPE,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-1.4111682744057927,,s_e65e1a798563d1746dac7cca,test
catpreddb_km_km_706aa04c3051a7,catpred_iteration1_km,km,P05342,P05342,MASVIIDDTTLRDGEQSAGVAFNADEKIAIARALAELGVPELEIGIPSMGEEEREVMHAIAGLGLSSRLLAWCRLCDVDLAAARSTGVTMVDLSLPVSDLMLHHKLNRDRDWALREVARLVGEARMAGLEVCLGCEDASRADLEFVVQVGEVAQAAGARRLRFADTVGVMEPFGMLDRFRFLSRRLDMELEVHAHDDFGLATANTLAAVMGGATHINTTVNGLGERAGNAALEECVLALKNLHGIDTGIDTRGIPAISALVERASGRQVAWQKSVVGAGVFTHEAGIHVDGLLKHRRNYEGLNPDELGRSHSLVLGKHSGAHMVRNTYRDLGIELADWQSQALLGRIRAFSTRTKRRSPQPAELQDFYRQLCEQGNPELAAGGMA,O=C(O)CCCC(=O)C(=O)O,O=C(O)CCCC(=O)C(=O)O,O=C(O)CCCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.093421685162235,,s_6e4b7284fdb6b6c84f56dd03,test
catpreddb_km_km_70844ae0099b96,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.3467874862246563,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_70a0cb4d2376b1,catpred_iteration1_km,km,A0A1J0AHX8,A0A1J0AHX8,MAVQMQPSFILTEKFEKLKFTDFVSVDSVSTPSTPSTPCSPPAEPFSIEVITAGDADEVLRFLRCFFIRDEPLNHSIGLLDGKETCPELESYSIKGLDSGLNLKAVSNGKIIGVCLNGILTRGYLEEIEEANCEDKKFESILRLLDHVAVQSDIFSHFPDVDKAMVVKILSVDSSLRGRGIAKDLMNRTRDLARELGCGIMTADCTSHFTARALKKLGFECIYSLNYEDYKVNGEVVFTPETPHAAVTVYTQRIVK,NC[C@H](O)c1ccc(O)c(O)c1,NC[C@H](O)c1ccc(O)c(O)c1,NC[C@H](O)c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_2a8d7422e6046b195bbd75d4,test
catpreddb_km_km_70cc64b104f16a,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_70d9f51abfe98c,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_70ee8ccff39e79,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_70f7a8a6ed8703,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F,O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1F>>,public_strict_iteration1_fulltrue_msa,,-0.3882766919926582,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_70ffb8aaf27125,catpred_iteration1_km,km,C3SVM7,C3SVM7,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,O=C(O)CC[C@@H](O)C(=O)O,O=C(O)CC[C@@H](O)C(=O)O,O=C(O)CC[C@@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_km_km_70ffe15c202080,catpred_iteration1_km,km,K4CB47,K4CB47,MGSEKMMKINIKESTLVKPSKPTPTKRIWSSNLDLIVGRIHLLTVYFYKPNGSSNFFDNKVIKEALSNVLVSFYPMAGRLGRDEQGRIEVNCNGEGVLFVEAESDSCVDDFGDFTPSLELRKLIPSVETSGDISTFPLVIFQITRFKCGGVALGGGVFHTLSDGLSSIHFINTWSDIARGLSVAVPPFIDRTLLRARDPPTSSFEHVEYHPPPTLNSSKNRESSTTTMLKFSSEQLGLLKSKSKNEGSTYEILAAHIWRCTCKARGLPEDQLTKLHVATDGRSRLCPPLPPGYLGNVVFTATPIAKSCELQSEPLTNSVKRIHNELIKMDDNYLRSALDYLELQPDLSTLIRGPAYFASPNLNINSWTRLPVHECDFGWGRPIHMGPACILYEGTIYIIPSPNSKDRNLRLAVCLDAGHMSLFEKYLYEL,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.2835954974834159,,s_8cb0426bcd3214c6ac076000,test
catpreddb_km_km_7119e951f58943,catpred_iteration1_km,km,A0A5H2WXM2,A0A5H2WXM2,MGSLSLSSVGLTMVCAPVMGESVDQVVEEMHKAKAQGADVVEVRLDCIKQFQAHQDLEIILKSKPLPVIIVYRPKCEGGLYEGDETARLEALRSALKLGADYVDFELKVAAELMSKQNKLHCGGTKVIVSCFLDGVTPSKEELSNLATHMKATGADIIKIVTSASNITELAGLFHLLSYSQMPVVAYAVGERGLISQLLSPKFGSTLVYGSIEGMAVPGLPTLESLRKTYKVEHINSDTTVFGLISKPVGHSKGPILHNPTLRHMNFNGLYVPMFVDNLKEFFEVYSTPDFAGFSVGFPYKEAVIQFCDEVHPLAQTIGAVNTIVRRPSDGKLIGYNTDCEASVTAMEDALQECRCINGEKSLVSPLAGKEFVLVGAGGAGRALAFGAKTRGARIIIFDIDFERAKMLAHAVSGEARPFGDLPYFQPEKGSILANATPIGMHPNKDRIPVSEASLGVFQLVFDAVYTPRKTTLLKEAEAAGAITVSGVEMFLRQAIGQFNLFTGGEAPKEFMREIVLAKF,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2700257143004443,,s_96f343a16d414342eb00f6c5,test
catpreddb_km_km_712338b49b97aa,catpred_iteration1_km,km,Q59718,Q59718,MSVIAITGSASGIGAALKELLARAGHTVIGIDRGQADIEADLSTPGGRETAVAAVLDRCGGVLDGLVCCAGVGVTAANSGLVVAVNYFGVSALLDGLAEALSRGQQPAAVIVGSIAATQPGAAELPMVEAMLAGDEARAIELAEQQGQTHLAYAGSKYAVTCLARRNVVDWAGRGVRLNVVAPGAVETPLLQASKADPRYGESTRRFVAPLGRGSEPREVAEAIAFLLGPQASFIHGSVLFVDGGMDALMRAKTF,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,1.7481880270062005,,s_d157ec4a40d8cc628dd60cdd,test
catpreddb_km_km_712b7c5127a747,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@H](C)C(=O)O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@H](C)C(=O)O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(O)=N[C@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_712c16559da089,catpred_iteration1_km,km,E5G727,E5G727,TSYYEPEFYTPDGGGTAHLSVVAEDGSAVSATSTINLYFGSKVRSLVSGILFNDEMDDFSSPNITNEFGVPPSPANFIKPGKQPLSSMCPAIIVGR,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O,N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_6b2d5af3416892b8b3790888,test
catpreddb_km_km_713345850c3e9b,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,C=O,C=O,C=O>>,public_strict_iteration1_fulltrue_msa,,0.5797835966168101,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_713ee4a8603ebb,catpred_iteration1_km,km,A0A286Y392,A0A286Y392,MPEENIFLFVPNLIGYARIVFALISFYFMPCCPLTASSFYLLSGLLDAVDGHAARALNQGTRFGAMLDMLTDRCSTMCLLVNLALLYPRATLLFQLSMSLDVASHWLHLHSSVVRGSESHKMIDLSGNPVLRIYYTSRPALFTLCAGNELFYCLLYLFNFSEGPLVGSVGLFRMGLWITAPIALLKSVISVIHLITAARNMAALDAADRARKK,CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCCCC>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_23146ed55028eb525a95a161,test
catpreddb_km_km_716fa7c7d4f2c4,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,1.1760912590556811,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_719d6ce9fe25a8,catpred_iteration1_km,km,Q9HUN4,Q9HUN4,MRPLVATVDLSAIRHNYALAKRCAPQRQAFAVVKANAYGHGAREVVTALHDDADGFAVACLEEAAEVRALHASARILLLEGCFEASEYALAGQLRLDLVIQGAEQGEAFLAAGLDIPLNVWLKLDSGMHRLGFDPAALRAWHARLRSHPGVRELNLISHFACADERNHPLTEQQLESFLGLLDLDFDQRSLANSAAVLTIPAAHMDWLRPGIMLYGSTPLADLSAAELGLKPAMSLGAQLISLREVAVGESVGYGATWIAERPARIGTVSCGYADGYPRTAPAGTPVLVGGRRAILAGRVSMDMLAVDLSDLPEARVGDPVELWGAGLSVDEVARACGTLGYELLSKVTARVPRRYSH,CC(N)C(=O)O,CC(N)C(=O)O,CC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_821b4414995764413284a433,test
catpreddb_km_km_71b553163300c7,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1>>,public_strict_iteration1_fulltrue_msa,,-2.5686362358410126,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_71c2d15f1bb480,catpred_iteration1_km,km,O00750,O00750,MSSTQGNGEHWKSLESVGISRKELAMAEALQMEYDALSRLRHDKEENRAKQNADPSLISWDEPGVDFYSKPAGRRTDLKLLRGLSGSDPTLNYNSLSPQEGPPNHSTSQGPQPGSDPWPKGSLSGDYLYIFDGSDGGVSSSPGPGDIEGSCKKLSPPPLPPRASIWDTPPLPPRKGSPSSSKISQPSDINTFSLVEQLPGKLLEHRILEEEEVLGGGGQGRLLGSVDYDGINDAITRLNLKSTYDAEMLRDATRGWKEGRGPLDFSKDTSGKPVARSKTMPPQVPPRTYASRYGNRKNATPGKNRRISAAPVGSRPHTVANGHELFEVSEERDEEVAAFCHMLDILRSGSDIQDYFLTGYVWSAVTPSPEHLGDEVNLKVTVLCDRLQEALTFTCNCSSTVDLLIYQTLCYTHDDLRNVDVGDFVLKPCGLEEFLQNKHALGSHEYIQYCRKFDIDIRLQLMEQKVVRSDLARTVNDDQSPSTLNYLVHLQERPVKQTISAETLRKIQVEHGVTGSFKDRPLADWLQKHNPGEDEYEKAVENFIYSCAGCCVATYVLGICDRHNDNIMLKTTGHMFHIDFGRFLGHAQMFGNIKRDRAPFVFTSDMAYVINGGDKPSSRFHDFVDLCCQAYNLIRKHTHLFLNLLGLMLSCGIPELSDLEDLKYVYDALRPQDTEANATTYFTRLIESSLGSVATKLNFFIHNLAQMKFTGSDDRLTLSFASRTHTLKSSGRISDVFLCRHEKIFHPNKGYIYVVKVMRENTHEATYIQRTFEEFQELHNKLRLLFPSSHLPSFPSRFVIGRSRGEAVAERRREELNGYIWHLIHAPPEVAECDLVYTFFHPLPRDEKAMGTSPAPKSSDGTWARPVGKVGGEVKLSISYKNNKLFIMVMHIRGLQLLQDGNDPDPYVKIYLLPDPQKTTKRKTKVARKTCNPTYNEMLVYDGIPKGDLQQRELQLSVLSEQGFWENVLLGEVNIRLRELDLAQEKTGWFALGSRSHGTL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_4ab5bc0c1a556043b968097d,test
catpreddb_km_km_71c2ed6ded051d,catpred_iteration1_km,km,P42785,P42785,MGRRALLLLLLSFLAPWATIALRPALRALGSLHLPTNPTSLPAVAKNYSVLYFQQKVDHFGFNTVKTFNQRYLVADKYWKKNGGSILFYTGNEGDIIWFCNNTGFMWDVAEELKAMLVFAEHRYYGESLPFGDNSFKDSRHLNFLTSEQALADFAELIKHLKRTIPGAENQPVIAIGGSYGGMLAAWFRMKYPHMVVGALAASAPIWQFEDLVPCGVFMKIVTTDFRKSGPHCSESIHRSWDAINRLSNTGSGLQWLTGALHLCSPLTSQDIQHLKDWISETWVNLAMVDYPYASNFLQPLPAWPIKVVCQYLKNPNVSDSLLLQNIFQALNVYYNYSGQVKCLNISETATSSLGTLGWSYQACTEVVMPFCTNGVDDMFEPHSWNLKELSDDCFQQWGVRPRPSWITTMYGGKNISSHTNIVFSNGELDPWSGGGVTKDITDTLVAVTISEGAHHLDLRTKNALDPMSVLLARSLEVRHMKNWIRDFYDSAGKQH,O=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)Oc1ccccc1,O=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)Oc1ccccc1,O=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)Oc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.1135092748275181,,s_8b3636c2da078c826d1a1418,test
catpreddb_km_km_71e121d3f18797,catpred_iteration1_km,km,O65435,O65435,MEAIKTFSPKFGFQISLSPRTHLTPVRFPPTACPVKPANLVRLKATRALIRDPQESNRKFQKFPPSEWTNRFDSVSVDASEMDALRKEIDKIIPNVKKELMSSQGIESTKKKILMVYLLVSLGLAYHFEDEIEECLKEGFETIEEMMAGEDNLYTISIIFLVLRTYGHHMSSDIFQKFKGNDGNFKGCISGDAKGLLALYEAAQLRTTTEYIMEEALSFTSSNLELLAADGRCPPHLSKHIRNALGLSQHKQMEVLVAVEYISFYEQEKDHDKILLKFAKLNFKLMQLHYLEELKVVTKWYKEHDFASNLPPYFKYVIVENHFFAITMYFEPKFSQKRIMLAKYFTVLVLLDDTCDRYASLSEAESLTNSLERWAPDDAMDKQPHYLKFVFKFIMGCFEEFERELASEGRSYSVKATLEEFKTIVKANFDFAKLAHTGHVPSFKEYMEVGEVEVGVCATLAGNLMCIGHIGDEGVYEWLKSRPKFLKAASTYGRLMNDIAGFEDDMKREYVITGVNTYMKQYGLTKMEAIRELQNLVEYNHTIMNEEFLKTTDLPRQIRKQVINVARSLNVSYTEGEGFTHTKGKVDEYITSLFITPIRI,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_b7863569942ac83b8d76d395,test
catpreddb_km_km_71ecb3e26b64cf,catpred_iteration1_km,km,Q9YE01,Q9YE01,MEDLYLSWPKWFSEALARYSSLEGALEGVEEIYYCGMGGSGAAGDYIEALLSIYAPQGPEFRVVKDFRPPRPPRHRGYGLVLASYSGNTLETVECGSLLSPAAGRVVAVTSGGRLLEMAKERGWLVARLPGGILPRVSFPWMLAASTAMLSGALGVDLEALKRLAGGLDTQGLKGEAERLAGFISRYRIASLVTCGPGIPLAVRLKNELAENAKMPSRLEIYPESSHNDIVALEAAEGLYGAVFIWIEHEGSLCPAVLDVVEGIYREYGVDTISIESSARGGPNATVAEYLSRTLVFGLASVRLALMRGFNPEETPPIDKYKRRLGEALRSQA,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_2f7fca05c88d6aadd7f589b4,test
catpreddb_km_km_72019eb08ebb3c,catpred_iteration1_km,km,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_3f380f88a54b8c0bed83425a,test
catpreddb_km_km_721c0523e45b01,catpred_iteration1_km,km,Q08015,Q08015,MTVRQRLLSYFFNRLRMNYPQILSPVLNFLHCPTPQAWIVQARDPQNLPLLLTDHLICELKAAQTALLLVRKYVADKSGADALLSWLQPYEAFAFRQGPEPDFVALHKQISKSAMPQTDDPWGRQLIDRMVLLIKEELHHFWQVREVMQARNIPYVKITASRYAKGMLKAVRTHEPLTLIDKLICGAYIEARSCERFAALAPWLDEDLQTFYLSLLRSEARHYQDYLALAQQISAEDISARVRYFGEVEADLILSPDREFRFHSGVPAAG,CC(C)=CCNc1ncnc2c1ncn2C(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CC(C)=CCNc1ncnc2c1ncn2C(=O)[C@@H](N)Cc1c[nH]c2ccccc12,CC(C)=CCNc1ncnc2c1ncn2C(=O)[C@@H](N)Cc1c[nH]c2ccccc12>>,public_strict_iteration1_fulltrue_msa,,-2.0409586076789066,,s_aebaa286ee6eb18309e27208,test
catpreddb_km_km_721fd177dd7639,catpred_iteration1_km,km,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.9913998282380824,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_km_km_7228518810627a,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCC(=O)C(=O)[O-],CCC(=O)C(=O)[O-],CCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_7246f6f2d866cb,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.23284413391782,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_7275313f46eebb,catpred_iteration1_km,km,Q9X519,Q9X519,MSKKPVALIILDGFALRDETYGNAVAQANKPNFDRYWNEYPHTTLKACGEAVGLPEGQMGNSEVGHLNIGAGRIVYQSLTRINIAIREGEFDRNETFLAAMNHVKQHGTSLHLFGLLSDGGVHSHIHHLYALLRLAAKEGVKRVYIHGFLDGRDVGPQTAPQYIKELQEKIKEYGVGEIATLSGRYYSMDRDKRWDRVEKAYRAMVYGEGPTYRDPLECIEDSYKHGIYDEFVLPSVIVREDGRPVATIQDNDAIIFYNFRPDRAIQISNTFTNEDFREFDRGPKHPKHLFFVCLTHFSETVKGYVAFKPTNLDNTIGEVLSQHGLRQLRIAETEKYPHVTFFMSGGREEKFPGEDRILINSPKVPTYDLKPEMSAYEVTDALLKEIEADKYDAIILNYANPDMVGHSGKLEPTIKAVEAVDECLGKVVDAILAKGGIAIITADHGNADEVLTPDGKPQTAHTTNPVPVIVTKKGIKLRDGGILGDLAPTMLDLLGLPQPKEMTGKSLIVK,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.6434526764861874,,s_dbeab33ed996fa35d64368d7,test
catpreddb_km_km_72840baa0fd620,catpred_iteration1_km,km,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.5595932038596043,,s_51f714c2449518f0f1cf2f16,test
catpreddb_km_km_72844673eda227,catpred_iteration1_km,km,P9WGR1,P9WGR1,MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL,CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2137965662209721,,s_d9241b63fbac3c7e22a88593,test
catpreddb_km_km_72e945b0fe4ea9,catpred_iteration1_km,km,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2>>,public_strict_iteration1_fulltrue_msa,,-1.899541345434784,,s_08e94d00e198158ed1db5b76,test
catpreddb_km_km_731500e05d6282,catpred_iteration1_km,km,Q5NT46,Q5NT46,MADGVRMTRAKVEHAPNCDIVIVGGGSAGSLLAARLSEDPDSRVLLIEAGEEPTDPDIWNPAAWPALQGRSYDWDYRTEAQAGTAGRAHHWARGRLIGGSSCLHAMGYMRGHPSDFQAWVDASGDRRWGWDELLPVFQAIEDHPLGGDGIHGKGGPLPIHLPADEVSPLARAFIEAGASLGLPRLEGHNSGEMIGVTPNSLNIRDGRRVTAADAWLTKAVRGRKNLTILTGSRVRRLKLEGNQVRSLEVVGRQGSAEVFADQIVLCAGALESPALLMRSGIGPHDVLDAAGVGCLIDMPDIGRNLQDHLLGAGNLYAARKPVPPSRLQHSESMAYMRADSFTAAGQPEIVVGCGVAPIVSESFPAPAAGSAYSLLFGITHPTSRGSVRISGPELGDRLIIDPAYLQTGRDRERFRRALEASRTIGHRDELAGWRERELLPGTPNSAAEMDDFIARSVITHHHPCGTCRMGKDPDAVVDANLRLKALDNLFVVDASIMPNLTAGPIHAAVLAIAETFARQY,Cc1ncc(CO)c(CO)c1O,Cc1ncc(CO)c(CO)c1O,Cc1ncc(CO)c(CO)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.815308569182401,,s_02e0b482c22a29910ca3ccbb,test
catpreddb_km_km_7320409236ea63,catpred_iteration1_km,km,P31213,P31213,MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCLHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-4.0,,s_7be15bef7aeb161cc050a294,test
catpreddb_km_km_7322dd2caefe9c,catpred_iteration1_km,km,P76641,P76641,MMSGEHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWENGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGAYGEQLLEWLNKHTFPTERRYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINMRMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFAPTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDVYHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFNLKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFYLATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVDKLFVMMTLGDDRSIYRTYVDGRLVYERN,N=c1nc(O)c2nn[nH]c2[nH]1,N=c1nc(O)c2nn[nH]c2[nH]1,N=c1nc(O)c2nn[nH]c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_6be357ed52bee5995478ed69,test
catpreddb_km_km_732c7e5670901e,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS>>,public_strict_iteration1_fulltrue_msa,,-1.40005905633556,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_7335e9e8fb1064,catpred_iteration1_km,km,E2CWD2,E2CWD2,MAPKSSTRVPLSVKGPIDCPYEGKEMLNLPQFNRGTAFTAEERDLFNLVGNLPAALQTLQNQVDRAYDQYSSISTALGKNTFLMSLKVQNEVLYFKLLQDHLKEMFSIIYTPTESEAIEHYSRLFRRPEGCFLNINHPEYIERSLAAWGTEEDIDYIIVSDGEEILGIGDQGVGAIGISSAKAVLMTLCAGVHPSRCIPVALDVGTDNEQLLEDELYLGNRHNRVRGGRYDKFVDDFVQCVKKLYPRAVLHFEDFGLPNARRLLDTYRPRLACFNDDVQGTGAVTLAALSSAVRVAGIDFRDLRTVIFGAGTAGTGIADQLRDFLNTQGISKQQVIDHIWLVDKPGLLLKSMHDKLTSAQRPYAASDDRWKEIDTKSLSEIVKKVKPHVLIGCSTKPKAFNEAVLREMAKHVERPIVFPLSNPTRLHEATPAEIFKYTDGKALVATGSPFDPVDGKEIAENNNCFVYPGIGMGSILSRADRVTETMIAAVVKELASLAPSEKDPTGALLPDVADIRDISAKIATAVVLQALEEGTARVEEIEGIKVPRDRDHCLEWVKEQMWQPEYRPLRKV,O=C(O)CC(O)C(=O)O,O=C(O)CC(O)C(=O)O,O=C(O)CC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0705810742857072,,s_7575381591ce1f3fb1ab1419,test
catpreddb_km_km_73474ee054b544,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_7364ef6aad737b,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,[H]/N=C(/N)SCCCCN,[H]/N=C(/N)SCCCCN,[H]/N=C(/N)SCCCCN>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_7377e470e8d70c,catpred_iteration1_km,km,P05342,P05342,MASVIIDDTTLRDGEQSAGVAFNADEKIAIARALAELGVPELEIGIPSMGEEEREVMHAIAGLGLSSRLLAWCRLCDVDLAAARSTGVTMVDLSLPVSDLMLHHKLNRDRDWALREVARLVGEARMAGLEVCLGCEDASRADLEFVVQVGEVAQAAGARRLRFADTVGVMEPFGMLDRFRFLSRRLDMELEVHAHDDFGLATANTLAAVMGGATHINTTVNGLGERAGNAALEECVLALKNLHGIDTGIDTRGIPAISALVERASGRQVAWQKSVVGAGVFTHEAGIHVDGLLKHRRNYEGLNPDELGRSHSLVLGKHSGAHMVRNTYRDLGIELADWQSQALLGRIRAFSTRTKRRSPQPAELQDFYRQLCEQGNPELAAGGMA,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.404860641262372,,s_6e4b7284fdb6b6c84f56dd03,test
catpreddb_km_km_73dc4a92481c86,catpred_iteration1_km,km,A0A1J0AHX8,A0A1J0AHX8,MAVQMQPSFILTEKFEKLKFTDFVSVDSVSTPSTPSTPCSPPAEPFSIEVITAGDADEVLRFLRCFFIRDEPLNHSIGLLDGKETCPELESYSIKGLDSGLNLKAVSNGKIIGVCLNGILTRGYLEEIEEANCEDKKFESILRLLDHVAVQSDIFSHFPDVDKAMVVKILSVDSSLRGRGIAKDLMNRTRDLARELGCGIMTADCTSHFTARALKKLGFECIYSLNYEDYKVNGEVVFTPETPHAAVTVYTQRIVK,NCCc1ccc(O)cc1,NCCc1ccc(O)cc1,NCCc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2518119729937995,,s_2a8d7422e6046b195bbd75d4,test
catpreddb_km_km_73e184bb03db1c,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_73e43c5c8d322e,catpred_iteration1_km,km,A0A1Y0UV69,A0A1Y0UV69,MSTEAPRLIRSIRLLDAAEDRIKTEFTAPPPPEKSLKTPALLELAKEFQPFAVVLTNNAPLKGKDVDALPECVKLVSTVSVGLDHLDIPTLHARGIAVSNTPNVLTDCNADLSMMLILAACRRAAEYYTLMKNGWHHGLGMGGMLGHRVTGKRLGIVGMGRIGQAVAKRARGFDMTILYHNRSRLSAAEEAGATYFEKLEDMLPHCDVLTLHMPGSPSAPPLMNSQTFSLLPKGSVFVNAARGSLVDEDALIEALESGHLFGAGLDVYRQEPNPNPRLTALPNIFMTPHAGSATIETRTAMCMLALDNVEALAKGLPMPTPVTV,O=C(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.724275869600789,,s_3ec0dc664857423fb2e2db96,test
catpreddb_km_km_74001133c6e78d,catpred_iteration1_km,km,P53350,P53350,MSAAVTAGKLARAPADPGKAGVPGVAAPGAPAAAPPAKEIPEVLVDPRSRRRYVRGRFLGKGGFAKCFEISDADTKEVFAGKIVPKSLLLKPHQREKMSMEISIHRSLAHQHVVGFHGFFEDNDFVFVVLELCRRRSLLELHKRRKALTEPEARYYLRQIVLGCQYLHRNRVIHRDLKLGNLFLNEDLEVKIGDFGLATKVEYDGERKKTLCGTPNYIAPEVLSKKGHSFEVDVWSIGCIMYTLLVGKPPFETSCLKETYLRIKKNEYSIPKHINPVAASLIQKMLQTDPTARPTINELLNDEFFTSGYIPARLPITCLTIPPRFSIAPSSLDPSNRKPLTVLNKGLENPLPERPREKEEPVVRETGEVVDCHLSDMLQQLHSVNASKPSERGLVRQEEAEDPACIPIFWVSKWVDYSDKYGLGYQLCDNSVGVLFNDSTRLILYNDGDSLQYIERDGTESYLTVSSHPNSLMKKITLLKYFRNYMSEHLLKAGANITPREGDELARLPYLRTWFRTRSAIILHLSNGSVQINFFQDHTKLILCPLMAAVTYIDEKRDFRTYRLSLLEEYGCCKELASRLRYARTMVDKLLSSRSASNRLKAS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-3.096910013008056,,s_03bfae282c699ad0b358e53c,test
catpreddb_km_km_74195f613ae23f,catpred_iteration1_km,km,D4GWT7,D4GWT7,MSLVVLKLGGSVVTDKDEPETVDEAGLAAAADAVAPLAESRRVVVVHGGGSFGHHHAAEHGVSSESGSHDARGVRAIHDAMKRLNDAVLDALEERGVAALPVHPLSAGAREADGSLSLPLAATETMLDEGFVPVLHGDVISHAGKGATIVSGDDLVVSLASGLGADRVGLCSTVPGVLDADGDVIPEITAFADAADALGGSDSTDVTGGMAAKVRKLLALGAPAHVFGPEGLSAFVAGESPGTVIRGE,C=C(C)CCOP(=O)(O)O,C=C(C)CCOP(=O)(O)O,C=C(C)CCOP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1135092748275182,,s_7684f52edea29f95a52d623f,test
catpreddb_km_km_74252f6078367f,catpred_iteration1_km,km,A0A5H2WXM2,A0A5H2WXM2,MGSLSLSSVGLTMVCAPVMGESVDQVVEEMHKAKAQGADVVEVRLDCIKQFQAHQDLEIILKSKPLPVIIVYRPKCEGGLYEGDETARLEALRSALKLGADYVDFELKVAAELMSKQNKLHCGGTKVIVSCFLDGVTPSKEELSNLATHMKATGADIIKIVTSASNITELAGLFHLLSYSQMPVVAYAVGERGLISQLLSPKFGSTLVYGSIEGMAVPGLPTLESLRKTYKVEHINSDTTVFGLISKPVGHSKGPILHNPTLRHMNFNGLYVPMFVDNLKEFFEVYSTPDFAGFSVGFPYKEAVIQFCDEVHPLAQTIGAVNTIVRRPSDGKLIGYNTDCEASVTAMEDALQECRCINGEKSLVSPLAGKEFVLVGAGGAGRALAFGAKTRGARIIIFDIDFERAKMLAHAVSGEARPFGDLPYFQPEKGSILANATPIGMHPNKDRIPVSEASLGVFQLVFDAVYTPRKTTLLKEAEAAGAITVSGVEMFLRQAIGQFNLFTGGEAPKEFMREIVLAKF,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,O=C1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_96f343a16d414342eb00f6c5,test
catpreddb_km_km_7425aeb4e7205d,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.874985275154533,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_7436b62ee449d6,catpred_iteration1_km,km,A0A0D7F0M8,A0A0D7F0M8,MNNSRHRTFYLVPVSREAGLTSMTLGLVRALQLTGVKVGFVKPIMQPEIRSGDLDLAAHFARTLCGVRTPDPIAFDHAAEMVRSGQLGGLMEEVVSMVDTVQADCDIVIVEGLIPDVEFQIATRLNIEIIRSLGADLIPVLAGGSHDAAALAAKAAAAAEQYGDDGRRPIAGLLINRCIDAAAALALTERGALTLNGSNPVPILAAVPSAAHLLAPHLIDIADTLGLTILNRGGIDTTRVLNVVVAARSPEKLIGTLRPETLVVTPADRSDAILATALVAQRGMALAGLVLTCGGRPAPELAAILASAPLDRLAVLCTDDDTFTTASKLANLSAHVSRADGDRMERVIAFIAEKVETRPLALRLDLPVETLMPPPVFRHRLVARARAALRRIVLPEGEEPRTIRAAAICADKRIARCILLGAPERIREVAAAHGIELPDNLEIVDAEQQRGRYVAPLVELRKAKGLTKLQAEIALEDSVVLGTMMLAQNDVDGLVSGAVHTTASTVRPALQLIKTAPGSSIVSSVFFMLMPDQVLVYGDCAINPDPTDHELAEIAIQSADSAAAFGIEPRVAMISYSTGASGAGEDVDKVRRATDKVRALRPDLIVDGPIQYDAATVASVGRQKAPGGPLDGRANVFVFPDLNTGNTTYKAVQRSANVVSVGPMLQGLRKPVNDLSRGALVDDIVYTIAITAIQAA,CC(=O)OP(=O)(O)O,CC(=O)OP(=O)(O)O,CC(=O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.6720978579357175,,s_d81678ed710a644e8f39492c,test
catpreddb_km_km_7458e2ed42eae4,catpred_iteration1_km,km,Q5JDG9,Q5JDG9,MKLDVIGIGNLNYDIIFTLERFPEFHEKINARGAHFGLGGAAANTISWLAHFGLKTGYIGAVGNDDVGEMHIKYFQGIGVDTGGIDVVEEPSGVAVAMVAGDDKRIVKYPGANLRRRFKPEYASRAKFLHLSSNPPELIEEAVNFASQRGIKVSLDIGEAPLPRELESKVDYLMMNEDEYRRKYGSLDPSLCRAKNLVVTLNGGGALVREGDNVFEVRGLSAKVVDSTGAGDSFDAGVIYGVLNGWSLLDSAKLGMLLAYLTVQKVGARSAIVPLEEVKRIAREVGLDLPFNRT,O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1,O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1,O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](CO)O1>>,public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_f908f38bc94d284bc9412649,test
catpreddb_km_km_748a507a18afdd,catpred_iteration1_km,km,B4Y0U1,B4Y0U1,MASLNKHIKIHEQCKVSPSSSSTQLSLPLTFFDYIWLRFHPVERIFFYTLPSSHSHPTFFFENLVPKLKSSLSLTLQHFLPLAGNIVWPSDSPKPFLQFNPNDDGVSLLLAQCDDDDVSFDKILEHNSPQEASLSRSFVPHLESSDSFASIISIQITLFPKNGFSIGISTHHAVLDGKSSTMFIKAWSSICKSLEEETQSLNLEPLLEPFLERELIEDPNDFENSFINTWNRISSHFDKSSVKSIKIMSSMFQPIIKDAVRETFELTREDLEKINKRVFSKWNNIEDGAQEKEQEQPKKLSTFVLTCAYVSVCIAKAIQQSESDKKQKFSIGFPVDCRSRLVPPIPKNYCGNCVSNHIVDTEPYDFTKEDGVVIVAKKIYGKTQEMDKGFLDGIETMMYKYMAMIGEGVKGIGVAGSTRFGVYEIDFGFGRPAKVEITSIDRGLTIGLTESKDLKGGVEIGLVLEKHVMDLFQAIFREGLCFD,COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1,COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1,COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1331221856625011,,s_e2910705b7cf72407b0b94ac,test
catpreddb_km_km_7494cf31452376,catpred_iteration1_km,km,Q5JDA3,Q5JDA3,MKCLVVGHVVRDIVKKGNKVLERLGGGAYYSALALSRFCDVEILTSFSNLPEEWIKELESMAKLQVVPSETTTTYELTYLDGNRRRLKLLERASPIEELPDGEYDVLLMNPVAREVPPALVTSALKKFPFVAVDIQGFIRSSSPGEIQYQPIDGSFLKGVKILHADLGEYQYLQGFSPEFVDVLLLSNGPEPGKAFLHGREYTFEPVHVGVDESTGAGDVFLGAFTGFYSQCPFVQALKRAAAFTALFLKNRSVDFSMDDVNELAMKVEVKRV,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4436974992327127,,s_f2741f2b35e7a9a4c61abae8,test
catpreddb_km_km_74a2a41910911a,catpred_iteration1_km,km,A8IW39,A8IW39,MQLNVRSTASGARSSTRSRRMTAVVQAVAQRAGTIDVQRNENFGKLRAGYLFPEIARRRKAHQEKNPDAKIISLGIGDTTEPLPKYIADAMAKAAAGLATREGYSGYGAEQGQGALREAVASTFYGHAGRAADEIFISDGSKCDIARIQMMFGSKPTVAVQDPSYPVYVDTSVMMGMTGDHNGTGFDGIEYMVCNPDNHFFPDLSKAKRTDIIFFCSPNNPTGAAATRAQLTELVNFARKNGSILVYDAAYALYISNPDCPKTIYEIPGADEVAIETCSFSKYAGFTGVRLGWTVVPKALKYANGEPVHADWNRVMTTCFNGASNIVQAGGLACLQPEGLKEMNAMIKFYKENAQILKTTFTEMGFSVYGGDDAPYIWVGFPGKPSWDVFAEILERCNIVTTPGSGFGPAGEGFVRASAFGSRENILEAVRRFKEAYGKRN,O=C(O)C1=NC(C(=O)O)CCC1,O=C(O)C1=NC(C(=O)O)CCC1,O=C(O)C1=NC(C(=O)O)CCC1>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_2105e8461c2d2ae046198893,test
catpreddb_km_km_74a85ace526b7c,catpred_iteration1_km,km,Q8TCT0,Q8TCT0,MGATGAAEPLQSVLWVKQQRCAVSLEPARALLRWWRSPGPGAGAPGADACSVPVSEIIAVEETDVHGKHQGSGKWQKMEKPYAFTVHCVKRARRHRWKWAQVTFWCPEEQLCHLWLQTLREMLEKLTSRPKHLLVFINPFGGKGQGKRIYERKVAPLFTLASITTDIIVTEHANQAKETLYEINIDKYDGIVCVGGDGMFSEVLHGLIGRTQRSAGVDQNHPRAVLVPSSLRIGIIPAGSTDCVCYSTVGTSDAETSALHIVVGDSLAMDVSSVHHNSTLLRYSVSLLGYGFYGDIIKDSEKKRWLGLARYDFSGLKTFLSHHCYEGTVSFLPAQHTVGSPRDRKPCRAGCFVCRQSKQQLEEEQKKALYGLEAAEDVEEWQVVCGKFLAINATNMSCACRRSPRGLSPAAHLGDGSSDLILIRKCSRFNFLRFLIRHTNQQDQFDFTFVEVYRVKKFQFTSKHMEDEDSDLKEGGKKRFGHICSSHPSCCCTVSNSSWNCDGEVLHSPAIEVRVHCQLVRLFARGIEENPKPDSHS,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(O)CCCCC,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(O)CCCCC,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(O)CCCCC>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_b1b54eb27787779c9e44bed0,test
catpreddb_km_km_74b4cdc3d2e051,catpred_iteration1_km,km,Q82T88,Q82T88,MKVQPAVQTNDNPRFVSTLTRNTLALILAGGRGTRLKNLTDWRAKPAVPFGGKFRIIDFTLSNCVNSGVRRIGVVTQYKAQSLIRHIQRGWSFLDGRFQEFIELLPAQQRTEEGTWYQGTADAVFQNLDILRTHNPGYVLILGGDHIYKMDYGRILAEHVERQADLTIACLEVPVEDASAFGVMAVDDSWRTTSFAEKPEHPAPIPGKPGHALISMGIYVFNAKFLYEQLIQDHDMDQSSHDFGKDVIPRLVASNARVYAHRFQNSCVNMASGVPYWRDVGTVDAYWKANIDLTTITPDLNLYDEDWPIWTHQEQLPPAKFVFDDDDRRGQALDSMVSGGCIISGATVRRSLLFSNVQIRGYSTIEDSVILPNVSIDRHAYLKRVVVEKECQIPEGLKVGFNPDEDRKHFYVTDDGITLITPEMLGQGIHYIR,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_85917a8189eb245c72985be6,test
catpreddb_km_km_74c22965cff606,catpred_iteration1_km,km,Q9BKL3,Q9BKL3,MSANNVKPFTVFVEGNIGSGKTTFLEHFRQFEDITLLTEPVEMWRDLKGCNLLELMYKDPEKWAMTFQSYVSLTMLDMHRRPAPTPVKLMERSLFSARYCFVEHIMRNNTLHPAQFAVLDEWFRFIQHNIPIDADLIVYLKTSPSIVYQRIKKRARSEEQCVPLSYIEELHRLHEDWLINRIHAECPAPVLVLDADLDLSQITDEYKRSEHQILRKAVNVVMSSPNKHSPKKPISTTPIKITPHMRIL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.853871964321762,,s_5ad77e9ef5727a1c2da6bd8c,test
catpreddb_km_km_74c2e89797d985,catpred_iteration1_km,km,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-3.3010299956639813,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_km_km_74c7b43f8efcfa,catpred_iteration1_km,km,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(C(=O)O)cc1O,COc1ccc(C(=O)O)cc1O,COc1ccc(C(=O)O)cc1O>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_bae6cc38bc66160b71e73176,test
catpreddb_km_km_74cd80608bfb7a,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_74d9f943b32e44,catpred_iteration1_km,km,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7528164311882715,,s_6a41f9ca86cba24130c89784,test
catpreddb_km_km_74e00befb299fc,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO>>,public_strict_iteration1_fulltrue_msa,,-3.130768280269024,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_74f767bbb2cb9d,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,O=c1nc(O)ccn1[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_751f1a3fbd81a9,catpred_iteration1_km,km,A0A385MQ73,A0A385MQ73,MTNLAPLTWQDCVQPDWQVSPRVRALITTRDGGVSEGPYGRWQGAEALPGGMNLGLHTGDDPAHVAGNRARLLALAGQSSAAWLEQVHGAQIVRADEVIAAAPAALAPVQADASVTDRAGAVCVVMVADCLPVLLCDTQGRAVGAAHAGWRGLAAGIVEQTAARVAALAGGATDALHAYLGPATGPRAFEVGADVRDAFLDTAPQSEHDETRLAFVAIDGAPGKFLADLYALARLRLARAGVAHVSGGTACTVTEQARFYSYRRDRVTGRMAAAIWLAG,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.9991322784687732,,s_948ccaa461e967d2a5ceae33,test
catpreddb_km_km_751fc3e1512927,catpred_iteration1_km,km,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,1.8296252343863304,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_7521194084350a,catpred_iteration1_km,km,P05342,P05342,MASVIIDDTTLRDGEQSAGVAFNADEKIAIARALAELGVPELEIGIPSMGEEEREVMHAIAGLGLSSRLLAWCRLCDVDLAAARSTGVTMVDLSLPVSDLMLHHKLNRDRDWALREVARLVGEARMAGLEVCLGCEDASRADLEFVVQVGEVAQAAGARRLRFADTVGVMEPFGMLDRFRFLSRRLDMELEVHAHDDFGLATANTLAAVMGGATHINTTVNGLGERAGNAALEECVLALKNLHGIDTGIDTRGIPAISALVERASGRQVAWQKSVVGAGVFTHEAGIHVDGLLKHRRNYEGLNPDELGRSHSLVLGKHSGAHMVRNTYRDLGIELADWQSQALLGRIRAFSTRTKRRSPQPAELQDFYRQLCEQGNPELAAGGMA,O=C(O)CCC(=O)CC(=O)O,O=C(O)CCC(=O)CC(=O)O,O=C(O)CCC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.093421685162235,,s_6e4b7284fdb6b6c84f56dd03,test
catpreddb_km_km_7526499920661a,catpred_iteration1_km,km,A2A1C5,A2A1C5,MKKFALKTAVVAIVGYLGVVGYVHQYDKGQMEKLLAEGSYSAEQQKIAKVFFNNGCQYCHTPNAELPFYAHVPLVGSMLQNDIKEGNRVFLLNELLNGLKDPSKLSEVDLAKLERVIENDEMPIAKFLHIHWGSRPDEDEKTALLNWIREQRKAFLPVNTEGTDNHRLVQPIPDEIMTDAAKVALGHKLFMDGRLSGDGTIKCHTCHQLDKGGVDRLDTSTGIDGKKGGINAPTVFNAAFNFAQFWDGRAVDLADQAGGPPLNPVEMGSHSWEEIVARFEQDEDFKQAFLQVYPQISKETLTNAIGEYEKTLITPNSDFDRYLKGENTLTAQQLKGYELFKQYKCDTCHTGVNMGGQSYEYMGIYGDYFKDRGTPLTDADQGRFAQTQDPYDMHRFKVPSLRNIALTAPYMHDASAKDLKEAVRIMLKYQSNAKPQQQDIDDITSFLESLTGEFEGKKLQ,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,-1.408935392973501,,s_8d5d06350cafbbb674827046,test
catpreddb_km_km_7528852d62bcbf,catpred_iteration1_km,km,B3VPB3,B3VPB3,MGVSAVLLPLYLLSGVTSGLAVPASRNQSTCDTVDQGYQCFSETSHLWGQYVPFFSLANESAISPDVPAGCRVTFAQVLSRHGARYPTDSKGKKYSALIEEIQQNATTFDGKYAFLKTYNYSLGADDLTPFGEQELVNSGIKFYQRYESLTRNIIPFIRSSGSSRVIASGKKFIEGFQSTKLKDPRAQPGQSSPKIDVVISEASSSNNTLDPGTCTVFEDSELADAVEANFTATFVPTIRQRLENDLSGVSLTDTEVTYLMDMCSFDTISTSTVDTKLSPFCDLFTHDEWINYDYLQSLKKYYGHGAGNPLGPTQGVGYANELIARLTHSPVHDDTSSNHTLDSNSATFPLNSTLYADFSHDNGIISILFALGLYNGTKPLSTTTVQNITQTDGFSSAWTVPFASRLYVEMMQCQAEQEPLVRVLVNDRVVPLHGCPVDALGRCTRDSFVKGLSFARSGGDWAECFA,O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+].[Na+],O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+].[Na+],O=P([O-])([O-])O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+].[Na+]>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_5ed105acb4c7e38459e7081e,test
catpreddb_km_km_75362da2d31761,catpred_iteration1_km,km,A0A168S2H6,A0A168S2H6,MTLSSVPLATSDIQIPEGARRNSTLICVPIMADSVDQMLGQIRKAKEVGGDLVEIRLDYLKNFSPRQDLQFLVKQSPLPTLVTYRPTWEGGQYDGDEGKRLDALRLAIELGADYIDVELQVAPEFINSIQGKTSGKVKIIVSSHNYQNTPSAEELGNLVARIQATGADIVKIATTALDITDCARIFQVLAHSQVPTIGIAMAERGLISRILSAKFGSYLTFGSLEAGVVSAPGQPTVKDLLDLYNFRQIGPDTKVHGVIGKPIGHSKSPHLYNSAFKSVGFNGIYLPLLVDSVKNFLATYSSPDFVGYSYTIPHKEDGLRCCDEIDPIAQAIGAISCMIRRPADGKLMGYNVDYLGAIAAIEEGLRASNGTTSVGSPLAGKLFVVIGAGGAGKALAYGGKEKGARVVVANRTFEKAKELASKVGGEAMTLAELENFHPEDGMILANTTSVGMKPNIDNTPLSKKALSRYSLVFDAIYTPKLTRLLREAQESGAIIVYGTEMFINQAFVQFERFTGLPAPKELIREVLVRNT,O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,2.2695129442179165,,s_df020c31aa268a93cfbe76f2,test
catpreddb_km_km_753d63f9ccae67,catpred_iteration1_km,km,P76641,P76641,MMSGEHTLKAVRGSFIDVTRTIDNPEEIASALRFIEDGLLLIKQGKVEWFGEWENGKHQIPDTIRVRDYRGKLIVPGFVDTHIHYPQSEMVGAYGEQLLEWLNKHTFPTERRYEDLEYAREMSAFFIKQLLRNGTTTALVFGTVHPQSVDALFEAASHINMRMIAGKVMMDRNAPDYLLDTAESSYHQSKELIERWHKNGRLLYAITPRFAPTSSPEQMAMAQRLKEEYPDTWVHTHLCENKDEIAWVKSLYPDHDGYLDVYHQYGLTGKNCVFAHCVHLEEKEWDRLSETKSSIAFCPTSNLYLGSGLFNLKKAWQKKVKVGMGTDIGAGTTFNMLQTLNEAYKVLQLQGYRLSAYEAFYLATLGGAKSLGLDDLIGNFLPGKEADFVVMEPTATPLQQLRYDNSVSLVDKLFVMMTLGDDRSIYRTYVDGRLVYERN,Cn1c(=N)[nH]c2c(c1=O)NCN2,Cn1c(=N)[nH]c2c(c1=O)NCN2,Cn1c(=N)[nH]c2c(c1=O)NCN2>>,public_strict_iteration1_fulltrue_msa,,-0.0315170514460648,,s_6be357ed52bee5995478ed69,test
catpreddb_km_km_7541e3e4d02036,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5563025007672873,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_75434ede350098,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC,[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC,[H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC>>,public_strict_iteration1_fulltrue_msa,,-2.2596373105057563,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_75493450065256,catpred_iteration1_km,km,C9WCQ1,C9WCQ1,MAIQVGFRYLFLLVLVGLLVCINGARNIPFSIINYKDIGSYKIFDENDLNRRDFPNNFIFGTATSAFQIEGVTHRAFNIWDSFTHRYPEKSSDGRDADQATDSYHLYKVDVEMMKNMGVNGYRFSIAWSRILPKGRISGGINKEGIEYYKNLIDELLSNDIEPFVTIFHWDLPQTLEDMYDGLLDRNFVLHYRDFANLCFKEFGNKVKYWITFNQPYSLAFNAYGKGEQAPGRCSAWMNNNCTGGDSGTEPYIVAYHELLAHAEVVQLYRREYKKTQKGNIGITLIANWYYPLRNTVADTNAAQRAQDFKLGWFLDPIIFGDYPSSMKKLVGKRLPQFAPWESKLLKGSIDFLGLNYYFPLYAFDTSAPDPTKPSVLTDGRFGTTNVRDGVPIGINSTLFYYNATGFYDLLTYLRNKYNNPLTYITENGYADSSTISLNETLADVGRIDYHKTHLLALKKAIAEGSNVAGYFAWSLLDNYEFVQGFTVRFGLNYVNYSDPSDRKPKASALWFTDFLNNVV,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3502480183341628,,s_296280e72b31a8f3711983f8,test
catpreddb_km_km_7579178e49033a,catpred_iteration1_km,km,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-0.1857524042680797,,s_27531fb3688217415c49ec38,test
catpreddb_km_km_75899d6cacf41d,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,CCC(=O)OCC(COC(=O)CC)OC(=O)CC,CCC(=O)OCC(COC(=O)CC)OC(=O)CC>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_75a1ac0838882d,catpred_iteration1_km,km,P39610,P39610,MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS,Cc1ncc(CO)c(N)n1,Cc1ncc(CO)c(N)n1,Cc1ncc(CO)c(N)n1>>,public_strict_iteration1_fulltrue_msa,,0.3074960379132129,,s_24664a2ea5a6f8e1e0451e83,test
catpreddb_km_km_75ae83ebf2cd8c,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,COC(=O)[C@H](CCCCN)N=C(O)[C@@H](C)N=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)[C@@H](C)N=C(O)OCc1ccccc1,COC(=O)[C@H](CCCCN)N=C(O)[C@@H](C)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,1.3010299956639813,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_75c077689e3fe0,catpred_iteration1_km,km,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,O=C(O)C(O)COP(=O)(O)O,O=C(O)C(O)COP(=O)(O)O,O=C(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_km_km_75cf47f5b9a1fe,catpred_iteration1_km,km,A0A045IZ15,A0A045IZ15,MAGPLSGLRVVELAGIGPGPHAAMILGDLGADVVRIDRPSSVDGISRDAMLRNRRIVTADLKSDQGLELALKLIAKADVLIEGYRPGVTERLGLGPEECAKVNDRLIYARMTGWGQTGPRSQQAGHDINYISLNGILHAIGRGDERPVPPLNLVGDFGGGSMFLLVGILAALWERQSSGKGQVVDAAMVDGSSVLIQMMWAMRATGMWTDTRGANMLDGGAPYYDTYECADGRYVAVGAIEPQFYAAMLAGLGLDAAELPPQNDRARWPELRALLTEAFASHDRDHWGAVFANSDACVTPVLAFGEVHNEPHIIERNTFYEANGGWQPMPAPRFSRTASSQPRPPAATIDIEAVLTDWDG,CC(C)Cc1ccc([C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1,CC(C)Cc1ccc([C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1,CC(C)Cc1ccc([C@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.062991148068907,,s_b09ae7265d5add56137654b3,test
catpreddb_km_km_7616321d15bf04,catpred_iteration1_km,km,P11466,P11466,MENQLAKSIEERTFQYQDSLPPLPVPSLEESLKKYLESVKPFANEDEYKKTEEIVQKFQDGVGKTLHQKLLERAKGKRNWLEEWWLNVAYLDVRIPSQLNVNFVGPSPHFEHYWPAREGTQLERGSILLWHNLNYWQLLRREKLPVHKSGNTPLDMNQFRMLFSTCKVPGITRDSIMNYFKTESEGHCPTHIAVLCRGRAFVFDVLHDGCLITPPELLRQLTYIYQKCWNEPVGPSIAALTSEERTRWAKAREYLIGLDPENLTLLEKIQSSLFVYSIEDTSPHATPENFSQVFEMLLGGDPAVRWGDKSYNLISFANGIFGCSCDHAPYDAMLMVNIAHYVDEKLLETEGRWKGSEKVRDIPLPEELAFTVDEKILNDVYQAKAQHLKAASDLQIAASTFTSFGKKLTKKEALHPDTFIQLALQLAYYRLHGRPGCCYETAMTRYFYHGRTETVRSCTVEAVRWCQSMQDPSASLLERQQKMLDAFAKHNKMMRDCSHGKGFDRHLLGLLLIAKEEGLPVPELFEDPLFSRSGGGGNFVLSTSLVGYLRIQGVVVPMVHNGYGFFYHIRDDRFVVTCSSWRSCLETDAEKLVEMIFHAFHDMIHLMNTAHL,C[N+](C)(C)C[C@H](O)CC(=O)O,C[N+](C)(C)C[C@H](O)CC(=O)O,C[N+](C)(C)C[C@H](O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7130075297439231,,s_02c6b4dcaa67c480f2fd87c4,test
catpreddb_km_km_7618089a0598cf,catpred_iteration1_km,km,Q9SRQ2,Q9SRQ2,MDHQVSLPQSTTTGLSFKVHRQQRELVTPAKPTPRELKPLSDIDDQQGLRFQIPVIFFYRPNLSSDLDPVQVIKKALADALVYYYPFAGRLRELSNRKLAVDCTGEGVLFIEAEADVALAELEEADALLPPFPFLEELLFDVEGSSDVLNTPLLLVQVTRLKCCGFIFALRFNHTMTDGAGLSLFLKSLCELACGLHAPSVPPVWNRHLLTVSASEARVTHTHREYDDQVGIDVVATGHPLVSRSFFFRAEEISAIRKLLPPDLHNTSFEALSSFLWRCRTIALNPDPNTEMRLTCIINSRSKLRNPPLEPGYYGNVFVIPAAIATARDLIEKPLEFALRLIQETKSSVTEDYVRSVTALMATRGRPMFVASGNYIISDLRHFDLGKIDFGPWGKPVYGGTAKAGIALFPGVSFYVPFKNKKGETGTVVAISLPVRAMETFVAELNGVLNVSKG,CC/C=C\CCO,CC/C=C\CCO,CC/C=C\CCO>>,public_strict_iteration1_fulltrue_msa,,-0.7608239297291642,,s_923e9138be0b9931b031104a,test
catpreddb_km_km_7629e784d0d803,catpred_iteration1_km,km,Q0E4W0,Q0E4W0,MSNSLEALKATGTVIVTDTGEFESIAKYKPQDATTNPSLILAVSKKPEYAALVDAAAKAATGANAKEKASNALDILLVEFGTKILEIVPGRVSTEVDARLSFDKDATIKKALHIIELYKQKGISKDRVLIKIASTWEGIQAAAELEAKHGIHCNLTLLFSFVQAVTAAEAKATLISPFVGRILDWYKKSTGKTYESSEDPGVHSVKSIYNYYKKFGYDTIVMGASFRNTGEIKELAGVDYLTVSPALLEELVNSTEAVPKKLEKSQATSLDLEKVSYINDEAKFRFELNEDQMATEKLSEGIRKFAADAVTMLEELEKRVA,O=C[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_8e95f7f6a44a08f359304c13,test
catpreddb_km_km_764727e959c6ec,catpred_iteration1_km,km,Q6WNR0,Q6WNR0,MGILSYLCYSLFYLSIFFIIRLLFQSRKFKNLPPGPTSLPIIGNLHHLKRPLNRTFKALTEKYGNVISLWFGSRLVVVVSSLSEFQECFTKNDVVLANRPRFLSGKYIFYNYTTLGSTSYGEHWRNLRRITSLDVLSNHRINNFAPIRRDETQRLIKKLAEDSSTKFAEVELTFRFFDMTFNNIMRMISGKRYYGDDCDISEVQEASQFRDMVSELLQLSGANNKTDFMPLLKFLDFENLEKRVKRIGEKNDVFLSGLLQEQRSKKERTNTMIDHLLNMQESQPEYYTDTIIKGLCLAMLLAGTDSSAVTLEWTMSNILNYPEVLKKVRDEVDTHVGQDRLVDESDLPKLTYLRNVIYETLRLYTPAPLLLPHSTADECIMGGYKVPRDTIVLINAWAIHRDPETWSEATTFKPERFDKKGELEKMIAFGMGRRACPGEGLALRAISMTLALLVQCFDWKRINDEKIDMSERDGFTMTKLLPLKAMCKTRPVVNKVFK,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.1739251972991736,,s_bacc29394cd254b63d714887,test
catpreddb_km_km_7657652e5541aa,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)[C@H](N)C(=O)O,CC(C)[C@H](N)C(=O)O,CC(C)[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0809219076239261,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_766654ec482c7e,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7718169834354784,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_768088d494bf92,catpred_iteration1_km,km,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,O=C(O)C(=O)CO,O=C(O)C(=O)CO,O=C(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_948648651b98b58a650dd2ca,test
catpreddb_km_km_76a2d1e5b9c1cd,catpred_iteration1_km,km,A5Y5L5,A5Y5L5,MNHHLIITPIFHLQIMLPVATLKRPPPPAATCSIYSFSRGTPSLVSKARLSTAAVGGMKNEPSPNHYSDISSSDLNLTRRSGNYGPTMWDFEYIQSIHNDYTEKKYMNRLNKLKEEMKKMIMAEGSQELEKLELIDNLQRLGVSYHFKHEIMQILSSIKQHSTPADSLYATALKFRLFREYGFHISQEIFGGLSETHTEDTKGMLYLYEASFLATEGESELEKARNWTEKHLREYLENKNDDQNVAELVHHALELPLHWRMLRIEARWFINFYKKKQDMIPLLLELAILDFNIVQAAHIEDLKYVARWWKETCLAENLPFARDRLVENFFWTIGVNFLPQYGYFRRIETKVNALVTTIDDVYDVFGTMDELQCFTHAFQRWNIDELDNLPDNMKMCYFALDNFINEVAGDAFEEHRVPILSYLRNAWTDLCKAYLREAKWYFSKYIPTMEEYMDNAWISISAPVILVHAYFLVANPVNKEVLHYLENYHDIIRWSALILRLANDLGTSSEELKRGDVPKSIQCYMNEKKVSEEEARQHIRLLISETWKKLNEAHNVAAHPFPKMFVKCAMNLARMAQCMYQHGDGHGHGDLNSETTNHIMALLFESIPPA,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.7212463990471703,,s_cc042cce2b2312b89e855cd8,test
catpreddb_km_km_76bd54b3ecca31,catpred_iteration1_km,km,Q9LTR9,Q9LTR9,MADNNSPPGSVEQKADQIVEANPLVKDDTSLETIVRRFQDSMSEAKTHKFWETQPVGQFKDIGDTSLPEGPIEPATPLSEVKQEPYNLPSVYEWTTCDMNSDDMCSEVYNLLKNNYVEDDENMFRFNYSKEFLRWALRPPGYYQSWHIGVRAKTSKKLVAFISGVPARIRVRDEVVKMAEINFLCVHKKLRSKRLAPVMIKEVTRRVHLENIWQAAYTAGVILPTPITTCQYWHRSLNPKKLIDVGFSRLGARMTMSRTIKLYKLPDAPITPGFRKMEPRDVPAVTRLLRNYLSQFGVATDFDENDVEHWLLPREDVVDSYLVESPETHDVTDFCSFYTLPSTILGNPNYTTLKAAYSYYNVATQTSFLQLMNDALIVSKQKGFDVFNALDVMHNESFLKELKFGPGDGQLHYYLYNYRLKSALKPAELGLVLL,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_f1bbb41c6878341f3c7cf81c,test
catpreddb_km_km_76c8cf6e56954a,catpred_iteration1_km,km,Q9C1V4,Q9C1V4,MASLVAGALCILGLTPAAFARAPVAARATGSLDSFLATETPIALQGVLNNIGPNGADVAGASAGIVVASPSRSDPNYFYSWTRDAALTAKYLVDAFIAGNKDLEQTIQQYISAQAKVQTISNPSGDLSTGGLGEPKFNVNETAFTGPWGRPQRDGPALRATALIAYANYLIDNGEASTADEIIWPIVQNDLSYITQYWNSSTFDLWEEVEGSSFFTTAVQHRALVEGNALATRLNHTCSNCVSQAPQVLCFLQSYWTGSYVLANFGGSGRSGKDVNSILGSIHTFDPAGGCDDSTFQPCSARALANHKVVTDSFRSIYAINSGIAEGSAVAVGRYPEDVYQGGNPWYLATAAAAEQLYDAIYQWKKIGSISITDVSLPFFQDIYPSAAVGTYNSGSTTFNDIISAVQTYGDGYLSIVEKYTPSDGSLTEQFSRTDGTPLSASALTWSYASLLTASARRQSVVPASWGESSASSVPAVCSATSATGPYSTATNTVWPSSGSGSSTTTSSAPCTTPTSVAVTFDEIVSTSYGETIYLAGSIPELGNWSTASAIPLRADAYTNSNPLWYVTVNLPPGTSFEYKFFKNQTDGTIVWEDDPNRSYTVPAYCGQTTAILDDSWQ,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2146701649892329,,s_5f0631374fe680a8b20d9d28,test
catpreddb_km_km_76e96d96262207,catpred_iteration1_km,km,P80175,P80175,MKTKAAVLHSAGKPFEIEELELDGPREGEVLIKYTAAGLCHSDLHLIDNDLVPRFPIVGGHEGAGVIEDVGPGVTKVKPGDHVVCSFIPNCGTCRYCATGRSNLCDMGATILDGGMPDGSFRFHRGGTDYGAMCMLGTFSERATISQHSVVKVDDWLPLETAVLVGCGVPTGWASANYAGGVRAGDTCVVYGIGGIGINAVQGAAHAGAANVIAVDPVAFKREKALELGATHAFASADEAAAKVAELTWGQMADQALITVGTVVEQVVTDAFNVIGKGGTVVITGLANPEKLTVHLSGGVMTLFEKTVKGTLFGSANPQYDIVRLLRLYQAGHVKLDELVTKRYSLEEVNEGYQDLRDGKNIRGVIMHSAD,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,-1.0861861476162833,,s_f32cba546b1c78d43371d9b7,test
catpreddb_km_km_77213cc52d9274,catpred_iteration1_km,km,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.966543151627479,,s_27015adbfee76024dda17db7,test
catpreddb_km_km_772788e53bfd65,catpred_iteration1_km,km,P29957,P29957,MKLNKIITTAGLSLGLLLPSIATATPTTFVHLFEWNWQDVAQECEQYLGPKGYAAVQVSPPNEHITGSQWWTRYQPVSYELQSRGGNRAQFIDMVNRCSAAGVDIYVDTLINHMAAGSGTGTAGNSFGNKSFPIYSPQDFHESCTINNSDYGNDRYRVQNCELVGLADLDTASNYVQNTIAAYINDLQAIGVKGFRFDASKHVAASDIQSLMAKVNGSPVVFQEVIDQGGEAVGASEYLSTGLVTEFKYSTELGNTFRNGSLAWLSNFGEGWGFMPSSSAVVFVDNHDNQRGHGGAGNVITFEDGRLYDLANVFMLAYPYGYPKVMSSYDFHGDTDAGGPNVPVHNNGNLECFASNWKCEHRWSYIAGGVDFRNNTADNWAVTNWWDNTNNQISFGRGSSGHMAINKEDSTLTATVQTDMASGQYCNVLKGELSADAKSCSGEVITVNSDGTINLNIGAWDAMAIHKNAKLNTSSASSTESDWQRTVIFINAQTQSGQDMFIRGGIDHAYANANLGRNCQTSNFECAMPIRHNNLKNVTTSPWKANDNYLDWYGIENGQSSEAEGSATDWTTNVWPAGWGAEKTVNTDGFGVTPLNIWGEHYWMLDVDMDCSKAVNGWFELKAFIKNGQGWETAIAQDNAPYTSTNHMAQCGKINKFEFNNSGVVIRSF,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1>>,public_strict_iteration1_fulltrue_msa,,-0.6516951369518393,,s_8e85573a5bc805580118e69e,test
catpreddb_km_km_776b11f93d1afc,catpred_iteration1_km,km,A0A0A7I435,A0A0A7I435,MEELTGEEVASLHSEYVMQSWHKQGGPVKPIKKADGIYFWDYDGKRYTDMSSLLVCSNLGHELPEIVDAIKEQADNMCFMAPAYASEPKSRLAKMLVDVADPDFYQRVFFTNGGADSNENAIKMARMVTGRPKIFSCYRSYHGSTIGASNASGDWRRFATELGGSAPGFVHFMNPNMYEDGYTRGVDDATVTADYLHRLDEQLQYEGPDSVAAILMESIVGANGVILPPEGYMEGVRALCDKYGILMICDEVMAGFGRTGKMFAWQNFDVKPDMFTFAKGVTCGYVPLGGVVVSKRISDYFTDHVLQCGLTYSGHTLACAAGVAAVNYYLEHDVCAHVKEMEGILKPFLESMVEKHKCVGEARCIGLFSALTIVKNKETRELMAPYHTPNSVMPQIMAKLMDLGFSTFGRETNINICPPLIITAEQLEEELPKLDKVLTWVDENLCD,NCCS(=O)(=O)O,NCCS(=O)(=O)O,NCCS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_b25672eb002c4602d66471b6,test
catpreddb_km_km_7791cfc24f704b,catpred_iteration1_km,km,P13860,P13860,MFRTATLLAFTMAAMVFGQQVGTNTARSHPALTSQKCTKSGGCSNLNTKIVLDANWRWLHSTSGYTNCYTGNQWDATLCPDGKTCAANCALDGADYTGTYGITASGSSLKLQFVTGSNVGSRVYLMADDTHYQMFQLLNQEFTFDVDMSNLPCGLNGALYLSAMDADGGMAKYPTNKAGAKYGTGYCDSQCPRDIKFINGEANVEGWNATSANAGTGNYGTCCTEMDIWEANNDAAAYTPHPCTTNAQTRCSGSDCTRDTGLCDADGCDFNSFRMGDQTFLGKGLTVDTSKPFTVVTQFITNDGTSAGTLTEIRRLYVQNGKVIQNSSVKIPGIDPVNSITDNFCSQQKTAFGDTNYFAQHGGLKQVGEALRTGMVLALSIWDDYAANMLWLDSNYPTNKDPSTPGVARGTCATTSGVPAQIEAQSPNAYVVFSNIKFGDLNTTYTGTVSSSSVSSSHSSTSTSSSHSSSSTPPTQPTGVTVPQWGQCGGIGYTGSTTCASPYTCHVLNPYYSQCY,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.4156687756324692,,s_95cb83ae26df00ab6a3ed035,test
catpreddb_km_km_779319619ff2c7,catpred_iteration1_km,km,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CC=O)ccc1O,COc1cc(C=CC=O)ccc1O,COc1cc(C=CC=O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_km_km_77973a9f337801,catpred_iteration1_km,km,P04798,P04798,MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4672456210075022,,s_716474a92aa109ca90555f9e,test
catpreddb_km_km_779dbaa0962176,catpred_iteration1_km,km,P56742,P56742,MNVFFMFSLLFLAALGSCAHDRNPLEECFRETDYEEFLEIAKNGLTATSNPKRVVIVGAGMAGLSAAYVLAGAGHQVTVLEASERVGGRVRTYRKKDWYANLGPMRLPTKHRIVREYIKKFDLKLNEFSQENENAWYFIKNIRKRVREVKNNPGLLEYPVKPSEEGKSAAQLYVESLRKVVKELKRTNCKYILDKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFGYEKRFDEIVGGMDQLPTSMYEAIKEKVQVHFNARVIEIQQNDREATVTYQTSANEMSSVTADYVIVCTTSRAARRIKFEPPLPPKKAHALRSVHYRSGTKIFLTCKKKFWEDDGIRGGKSTTDLPSRFIYYPNHNFTSGVGVIIAYGIGDDANFFQALDFKDCADIVINDLSLIHQLPKEDIQTFCRPSMIQRWSLDKYAMGGITTFTPYQFQHFSEALTAPFKRIYFAGEYTAQFHGWIDSTIKSGLTAARDVNRASENPSGIHLSNDNEF,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4435768786287146,,s_f9506aedb3f92081e7f38e21,test
catpreddb_km_km_77b5ed34e820b7,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_77bbb34d78f7bd,catpred_iteration1_km,km,K4CB47,K4CB47,MGSEKMMKINIKESTLVKPSKPTPTKRIWSSNLDLIVGRIHLLTVYFYKPNGSSNFFDNKVIKEALSNVLVSFYPMAGRLGRDEQGRIEVNCNGEGVLFVEAESDSCVDDFGDFTPSLELRKLIPSVETSGDISTFPLVIFQITRFKCGGVALGGGVFHTLSDGLSSIHFINTWSDIARGLSVAVPPFIDRTLLRARDPPTSSFEHVEYHPPPTLNSSKNRESSTTTMLKFSSEQLGLLKSKSKNEGSTYEILAAHIWRCTCKARGLPEDQLTKLHVATDGRSRLCPPLPPGYLGNVVFTATPIAKSCELQSEPLTNSVKRIHNELIKMDDNYLRSALDYLELQPDLSTLIRGPAYFASPNLNINSWTRLPVHECDFGWGRPIHMGPACILYEGTIYIIPSPNSKDRNLRLAVCLDAGHMSLFEKYLYEL,O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0362121726544449,,s_8cb0426bcd3214c6ac076000,test
catpreddb_km_km_77c0042f1ea570,catpred_iteration1_km,km,Q95JH5,Q95JH5,MDPKYQRVALNDGHFMPVLGFGTYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O,COc1cc(C)c2c(c1C(C)C)CCC[C@H]2O>>,public_strict_iteration1_fulltrue_msa,,-1.2518119729937995,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_77c84e3edfac8e,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,CC(N)C(=O)O,CC(N)C(=O)O,CC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.0051805125037805,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_77d06e5ba77e47,catpred_iteration1_km,km,D4GP40,D4GP40,MVEQAKLSDPNAEYTMRDLSAETIDITNPRGGVRDAEITDVQTTMVDGNYPWILVRVYTDAGVVGTGEAYWGGGDTAIIERMKPFLVGENPLDIDRLYEHLVQKMSGEGSVSGKVISAISGIEIALHDVAGKLLDVPAYQLVGGKYRDEVRVYCDLHTEDEANPQACAEEGVRVVEELGYDAIKFDLDVPSGHEKDRANRHLRNPEIDHKVEIVEAVTEAVGDRADVAFDCHWSFTGGSAKRLASELEDYDVWWLEDPVPPENHDVQKLVTQSTTTPIAVGENVYRKFGQRTLLEPQAVDIIAPDLPRVGGMRETRKIADLADMYYIPVAMHNVSSPIGTMASAQVAAAIPNSLALEYHSYQLGWWEDLVEEDDLIQNGHMEIPEKPGLGLTLDLDAVEAHMVEGETLFDEE,O=C(O)C(O)C(O)C(O)CO,O=C(O)C(O)C(O)C(O)CO,O=C(O)C(O)C(O)C(O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_0b173980928d42e9a131d40f,test
catpreddb_km_km_77f8c5a21d8fc8,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Nc1ccc(S(N)(=O)=O)cc1,Nc1ccc(S(N)(=O)=O)cc1,Nc1ccc(S(N)(=O)=O)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.2218487496163566,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_782c1333b41160,catpred_iteration1_km,km,Q7X9A9,Q7X9A9,MMAAKGSVVVGVLAIVAYALVVSEVAIAAQISSFNRTSFPDGFVFGAASSAYQFEGAAKEGGKGPNIWDTFTHEFPGKISNGSTGDVADDFYHRYKEDVKVLKFIGLDGFRMSISWARVLPRGKLSGGVNKEGIAFYNNVINDLLSKGIQPFITIFHWDLPQALEDEYGGFLSPHIVNDFRDFAELCFKEFGDRVKHWITMNEPWSYSYGGYDAGLLAPGRCSAFMAFCPKGNSGTEPYIVTHNLLLSHAAAVKLYKEKYQAYQKGQIGITLVTYWMIPYSNSKADKDAAQRALDFMYGWFIEPLSFGEYPKSMRRLVGKRLPRFTKEQAMLVKGSFDFLGLNYYIANYVLNVPTSNSVNLSYTTDSLSNQTAFRNGVAIGRPTGVPAFFMYPKGLKDLLVYTKEKYNDPVIYITENGMGDNNNVTTEEGIKDPQRVYFYNQHLLSLKNAIAAGVKVKGYFTWAFLDNFEWLSGYTQRFGIVYVDFKDGLKRYPKHSALWFKKFLLK,O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O,O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O,O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.8824675108295099,,s_1b717c1b1b8af20d863e8098,test
catpreddb_km_km_78352594db8c3d,catpred_iteration1_km,km,G4NAP4,G4NAP4,MRVLVWIAGLAPLAVAVPSSSYRVAVAARADNTSASVAPSQNVSGAAPPELVVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPTEDALPFQVDRATVKQLTKTSLKALHAAGRLFVADHSYQRNYTRLANRYSAACTALFYLDPRSNQFLPLAIKTNVGADLTYTPLDTDNNNWLLAKIMFNNNDLFHGQIFHVAYPHAIAEIVHLAALRTMSARHPVLALMERLMYQAYAVRPLGERVLFNKGGLFEQNFAYPQDMVYKFVGDSYPTTGRWRAGYLDTDVRARGLVDADYGPELPHFPFYEDGSRLVEVIRRFVRSFVDATYHESDEMVAKDAELQAWVAEANGPAGVEDFEPGPLDTRERLVEVLTHMAWLTGCAHHVLNQGEPVTASGVLPMHPTALYAPVPTSKANTTADLLGYLPSAQKSVDQVTLLARFNRPDVVPTNQTLRYMFAAPQLLLGNGEAYRRANQRFVRAMGRISDEVKARRFDDRGLSQGMPFIWQALDPGNIPFYLSV,CCC=CCC=CCC=CCCCCCCCC(=O)O,CCC=CCC=CCC=CCCCCCCCC(=O)O,CCC=CCC=CCC=CCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9208187539523751,,s_10729ae42944f3da11c01607,test
catpreddb_km_km_784558ac5fab8d,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_787bca4810d196,catpred_iteration1_km,km,P9WIE5,P9WIE5,MPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGAAFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRGGAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKTFGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPDPMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGWKSSYGTGTGKDAITSGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAGAGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDMGPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAASSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSFADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGKGNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVNLLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKFVQDFVAAWDKVMNLDRFDVR,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,0.4996870826184038,,s_84f37f5b06ab457abf65a56c,test
catpreddb_km_km_7880266f37b493,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.585026652029182,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_78895f98276db9,catpred_iteration1_km,km,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.42021640338319,,s_2bf532d075628659b9957308,test
catpreddb_km_km_788e8988dfb541,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O,CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O,CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2276782932770802,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_7899ad9c9170d3,catpred_iteration1_km,km,P0C0Q1,P0C0Q1,MKKRFLSICTMTIAALATTTMVNTSYAKTDTESHNHSSLGTENKNVLDINSSSHNIKPSQNKSYPSVILPNNNRHQIFNTTQGHYDAVSFIYIPIDGGYMSGSGVVVGENEILTNKHVVNGAKGNPRNISVHPSAKNENDYPNGKFVGQEIIPYPGNSDLAILRVSPNEHNQHIGQVVKPATISSNTDTRINENITVTGYPGDKPLATMWESVGKVVYIGGEELRYDLSTVGGNSGSPVFNGKNQVIGIHYGGVDNKYNSSVYINDFVQQFLRNNIPDINIQ,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)CC(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,0.1840021030788139,,s_dfca017ca259520f2ef633f8,test
catpreddb_km_km_78c197c0083ce6,catpred_iteration1_km,km,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.214670164989233,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_km_km_78c1aa30e2d4d3,catpred_iteration1_km,km,Q6GGG1,Q6GGG1,MNHDKSPIILIGFMGTGKSTIGKYVADEQNLSFIDIDSYIEEKYKLTIPEIFSKHGEQYFRNLEFTCLQECINTADIIATGGGIIESEEVFNFLKNQKNIIWLDCNIDIIYSRINDDPHRPNANNKTIKQLNDLYCSRILRYNEIAFKKFDSHLLSISEIYYELLNLIKASDQY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6497519816658371,,s_21980016cad5d90ce4854db8,test
catpreddb_km_km_78f6042de1cbfb,catpred_iteration1_km,km,Q837B3,Q837B3,MSQKETFYITTPIYYPSGKLHIGNSYTTIACDAMARYKRLMGFDVFYLTGVDEHGQKIEKKAAELNVTPKEYVDKMAADVQKLWKTLDISYDKFIRTTDDYHMAAVQQIFDRLVEQGDIYLGEYEGWYSVSDEEFFTETQLAEVYRDDEGNVIGGKAPSGHEVELVKEESYFFRMSKYADRLVQYYEEHPEFIQPESRKNEMLNNFIKPGLEDLAVSRTTFSWGIPLKNDPKHVVYVWIDALSNYITALGYGSEDDSLFQKYWPANVQMVGKEIVRFHTIYWPIMLMALDLPLPKKVFGHGWLLMKDGKMSKSKGNVVYPEMLVERYGLDALRYYLLRAIPFGSDGVFTPEDFVSRLNYDLANDLGNLLNRTIAMINKYCDGKVPAYASKVTPFDSELSTTAANVIGKYHEAMEKMEFNTAIAEIWTLVSRANKYIDETAPWVLAKEEEKRNELESVMIHLAESLRIVAILLQPVMTETPGKIFEQLGLDPETMNMENIHFGEFPTDVTVTSKGTPIFPRLEIETEVTYIQKKMSQSESATEEDIKWNPEETTLVSTKEKQIKYDDFDKVELKVAEVIDCKKVKGADKLLQFRLDAGDENHRQILSGIAEFYPDPAALIGKKVVIVANLKPRKMRGQISQGMILSAESPEGKLQIVEAPKEMPNGAGIA,CSCCC(N)C(=O)O,CSCCC(N)C(=O)O,CSCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9728842307319558,,s_98f559e7ab60e4e34cabb98e,test
catpreddb_km_km_7900e0c7ebee75,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,NC(C(=O)O)C(N)C(=O)O,NC(C(=O)O)C(N)C(=O)O,NC(C(=O)O)C(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6812412373755872,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_7918800bb5a68d,catpred_iteration1_km,km,Q57Z14,Q57Z14,MYRKNVCVVIFNEDLNFLACQRIHEDKFQFVQGGVEEGDADIIRAAYREVHEEVGLFPEDLRLIGEIMPPSGDPHEFRYILHEGANLRHFGYVGQQQRLFLFYTPSSTIQRVRLVPPKGSVAKQEFSHVEWLPIDEIIERCPKEKQHIFVAVSKVAIPMAKAFLKTRSSI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1073489661226996,,s_15889064dbb82d3b73da9a11,test
catpreddb_km_km_7918a024e079ba,catpred_iteration1_km,km,V9SDP6,V9SDP6,MSIPTTQKGVIFYENGGQLYYKDIPVPKPKSNELLINVKYSGVCHTDLHAWKGDWPLDTKLPLVGGHEGAGVVVAMGDNVKGWKIGDLAGIKWLNGSCMNCEECELSNESNCPDADLSGYTHDGSFQQYATADAVQAAHIPAGTDLAQVAPILCAGVTVYKALKTAEMKAGDWVAISGAAGGLGSLAVQYAKAMGFRVLGIDGGEGKEELFKSLGGEVFIDFTKSKDIVGEVIKATNGDAHGVINVSVSEKAIESSIEYCRSNGTVVLVGLPKDAKCKSDVFNQVVKSIHIVGSYVGNRADTREALDFFCRGLVHA,CC=O,CC=O,CC=O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_afee1ae86793f42c1d3745de,test
catpreddb_km_km_791c8e868a68b5,catpred_iteration1_km,km,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,N=c1nc(O)c2nc[nH]c2[nH]1,N=c1nc(O)c2nc[nH]c2[nH]1,N=c1nc(O)c2nc[nH]c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.307196863200844,,s_819c9375ca8203a769c0057f,test
catpreddb_km_km_791d21597725d9,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_7928a00b35b4c3,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-4.522878745280337,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_7930063163d739,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_793dfd08c52281,catpred_iteration1_km,km,Q5TCS8,Q5TCS8,MTSQEKTEEYPFADIFDEDETERNFLLSKPVCFVVFGKPGVGKTTLARYITQAWKCIRVEALPILEEQIAAETESGVMLQSMLISGQSIPDELVIKLMLEKLNSPEVCHFGYIITEIPSLSQDAMTTLQQIELIKNLNLKPDVIINIKCPDYDLCQRISGQRQHNNTGYIYSRDQWDPEVIENHRKKKKEAQKDGKGEEEEEEEEQEEEEAFIAEMQMVAEILHHLVQRPEDYLENVENIVKLYKETILQTLEEVMAEHNPQYLIELNGNKPAEELFMIVMDRLKYLNLKRAAILTKLQGAEEEINDTMENDELFRTLASYKLIAPRYRWQRSKWGRTCPVNLKDGNIYSGLPDYSVSFLGKIYCLSSEEALKPFLLNPRPYLLPPMPGPPCKVFILGPQYSGKTTLCNMLAENYKGKVVDYAQLVQPRFDKARETLVENTIAEATAAAIKVVKEKLLRELQARKQAETALREFQRQYEKMEFGVFPMEATHSSIDEEGYIRIIIVGPPKSGKTTVAKKITSEYGLKHLSIGGALRYVLNNHPETELALMLNWHLHKGMTAPDELAIQALELSLMESVCNTAGVVIDGYPVTKHQMNLLEARSIIPMVIFELSVPSKEIFKRLLLEKENEQRLPYPLHNSAQIVAVNNVKYRKNIGEIRQYYQEQHQNWYVIDGFHSKWWVWNEVIKNVQMVNKYMQTYLERIKAGKAACIDKLCITPQELLSRLGEFEQFCPVSLAESQELFDCSATDSLEFAAEFRGHYYKMSSQEKLNKFLENPELYVPPLAPHPLPSADMIPKRLTLSELKSRFPKCAELQGYCPVTYKDGNQRYEALVPGSINYALEYHNRIYICENKEKLQKFLRSPLKYWEQKLPHKLPPLREPILLTSLPLPGYLEQGIATSLIKAMNAAGCLKPKFPFLSIRRSALLYIALHLKAFNPKGSEYTRKKYKKKMEQFMESCELITYLGAKMTRKYKEPQFRAIDFDHKLKTFLSLRNIDPING,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_5769cc0d347788c6f3637827,test
catpreddb_km_km_79417a7ac25304,catpred_iteration1_km,km,P55772,P55772,MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_1d6314abafdcf5412b30cbfd,test
catpreddb_km_km_7959a6edd800ce,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,NC(N)=Nc1ccc(C(=O)O)cc1[N+](=O)[O-],NC(N)=Nc1ccc(C(=O)O)cc1[N+](=O)[O-],NC(N)=Nc1ccc(C(=O)O)cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_79723fe532af7c,catpred_iteration1_km,km,A0A1J0AHX8,A0A1J0AHX8,MAVQMQPSFILTEKFEKLKFTDFVSVDSVSTPSTPSTPCSPPAEPFSIEVITAGDADEVLRFLRCFFIRDEPLNHSIGLLDGKETCPELESYSIKGLDSGLNLKAVSNGKIIGVCLNGILTRGYLEEIEEANCEDKKFESILRLLDHVAVQSDIFSHFPDVDKAMVVKILSVDSSLRGRGIAKDLMNRTRDLARELGCGIMTADCTSHFTARALKKLGFECIYSLNYEDYKVNGEVVFTPETPHAAVTVYTQRIVK,NCC(O)c1ccc(O)cc1,NCC(O)c1ccc(O)cc1,NCC(O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_2a8d7422e6046b195bbd75d4,test
catpreddb_km_km_7972bd113abbe0,catpred_iteration1_km,km,P20456,P20456,MADPWQECMDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEKMLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGFPFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQEDITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCLVAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIASSNKTLAERIAKEIQIIPLQRDDED,CC(CO)OP(=O)(O)O,CC(CO)OP(=O)(O)O,CC(CO)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,1.1760912590556811,,s_835376cafd645d9f967b285e,test
catpreddb_km_km_797f988579c6a7,catpred_iteration1_km,km,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,O=C(O)/C=C/c1ccccc1,O=C(O)/C=C/c1ccccc1,O=C(O)/C=C/c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_b7052409576ea9e57f9adba3,test
catpreddb_km_km_7981f81f6baf09,catpred_iteration1_km,km,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](Cc1ccccc1)N=C(C)O,COC(=O)[C@H](Cc1ccccc1)N=C(C)O,COC(=O)[C@H](Cc1ccccc1)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.3617278360175928,,s_2d84b510953f7377dca5997d,test
catpreddb_km_km_79833ce9f841ee,catpred_iteration1_km,km,Q9ZS21,Q9ZS21,MAAEPKESPSNNPGLHTTPDEATKGYIMQQTMFRIKDPKVSLDFYSRVLGMSLLKRLDFPEMKFSLYFMGYENTAEAPSNPIDKVVWTFSQKATIELTHNWGTESDPEFKGYHNGNSEPRGFGHIGVTVDDTYKACERFQNLGVEFVKKPEDGKMKGIAFIKDPDGYWIEIFDRKTIGNVTQTAA,N[C@@H](CCC(O)=N[C@@H](CSC(O)C(=O)c1ccccc1)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSC(O)C(=O)c1ccccc1)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CSC(O)C(=O)c1ccccc1)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3098039199714864,,s_ca14e288fdf99ccf6b36bc00,test
catpreddb_km_km_799badaa4c50e9,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,CC(C)CC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=NC(CCCNC(=N)N)C(=O)O,CC(C)CC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=NC(CCCNC(=N)N)C(=O)O,CC(C)CC(N=C(O)C(Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=NC(CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9546770212133424,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_79ba1cc15d4ec0,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,C[C@@H](N)C(=O)NCC(=O)NCC(=O)O,C[C@@H](N)C(=O)NCC(=O)NCC(=O)O,C[C@@H](N)C(=O)NCC(=O)NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.431798275933005,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_79bdb47fbbebb9,catpred_iteration1_km,km,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NC(CCSCC(N)C(=O)O)C(=O)O,NC(CCSCC(N)C(=O)O)C(=O)O,NC(CCSCC(N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_km_km_79c6ab44e6915d,catpred_iteration1_km,km,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.3467874862246565,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_km_km_79c84a10a1624a,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC[C@H](C)[C@H](N)C(O)=Nc1ccc2ccccc2c1,CC[C@H](C)[C@H](N)C(O)=Nc1ccc2ccccc2c1,CC[C@H](C)[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_79d8613f67c705,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.3098039199714866,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_79dde1082723b6,catpred_iteration1_km,km,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,1.2041199826559248,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_km_km_79ea84fc3efa95,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@H](OP(=O)(O)OC[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H](O)[C@@H]4O)[C@@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.151909206415738,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_79fb5387cbf897,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CCCCCCCCCCC=O,CCCCCCCCCCC=O,CCCCCCCCCCC=O>>,public_strict_iteration1_fulltrue_msa,,1.6495964519148292,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_7a1129adf52fcf,catpred_iteration1_km,km,A0A1J1EVC3,A0A1J1EVC3,MTVEPFRNEPIETFQTEEARRTMREALRRVREEFGRHYPLYIGGEWVDTKERMVSLNPSAPSEVVGTTAKAGKAEAEAALEAAWKAFKTWKDWPQEDRSRLLLKAAALMRRRKRELEATLVYEVGKNWVEASADVAEAIDFMEYYARAALRYRYPAVEVVPYPGEDNESFYVPLGAGVVIAPWNFPVAIFTGMIMGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVGEEVGAYLVEHPRTRFINFTGSLEVGLKIYEAAGRLAPGQTWFKRAYVETGGKDAIIVDETADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEPVLERVLKRAERLSVGPAEENPDLGPVVSAEQERKVLSYIEIGKNEGQLVLGGKRLEGEGYFIAPTVFTEVPPKARIAQEEIFGPVLSVIRVKDFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALVGVQPFGGFKLSGTNAKTGALDYLRLFLEMKAVAERF,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1487416512809248,,s_211c7d645abd0f9e1bd6a568,test
catpreddb_km_km_7a197217cb0ce6,catpred_iteration1_km,km,Q9MYU4,Q9MYU4,MEDRRESELKTFCSKNILVILGFSSIIAVIALLALGLTQNKPLPENVKFGIVLDAGSSHTSLYIYKWPAEKENDTGVVSQVEECKLKGPGISEFAKKLGEIDIYLEACMERARTVVPKSQHAETPVYLGATAGMRLLRMKNENLASKILSTVAESITRYPFDFQGARIITGQEEGAYGWITINYLLDKFIQKSGWFNLKPRKGDTQETYGALDLGGASTQITFVPQNQVLESPENTLHFRLYGKNYSVYTHSFLCYGKDQALLQKLTKDLKNTNGTIHEPCFHSGYQRRMNVSHLYEAPCTRRFLTSLPFPELEIQGTGDFQKCQQSIRPLFNTSYCPYSRCSFDGVFLPLPQGDFAAFSAFYYVMGFLNLTSEEGSFQSKVTSTLEAFCSRPWAELQMYFGDVKEKYLSEYCFSGTYILTLLLSGYHFTAETWKNIHFMGKVQSTSVGWTLGYMLNLTNMIPSEEPSSTRLSHSTYVFLMVLFSLILVIVVIIGLFVCHRPSYFWKDMV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.664635927944757,,s_9a0e07b7012bc1cc9b27b550,test
catpreddb_km_km_7a2a14bfe2c70f,catpred_iteration1_km,km,A0A2K3CSB8,A0A2K3CSB8,MQSLQRVAHGRGLVARPTTRTVAPRTVTVQRAVSTDAESFVIPAAPDLIPDGAWAKVEGGVCAAKGFKATGVYAGLRASGRKGDLALVVADAPATVAGTFTQNVMCAAPVLYCKDVLSRRKTVRAVMTNAGQANAATGTQGYEDSVACAQALAAALGVEADDVLLQSTGVIGRRMKMESFLPAIPQLPASLGASTADAHRAAVAITTTDLVSKEAALRVTLSSGAVVTVGGMCKGSGMIHPNMATMLGVVTCDAAVSSDVWTGIVKRASVASFNSITVDGDTSTNDCVIGLASGAAGNPPITDPASQDAQLLDAAVTALMQGLAKSIAWDGEGATCLLEIEVTGAASDADARVIARSVAGSSLAKSAFFGHDPNWGRIAAAAGYSGIIFDQADLGVRLGAMTLMRDGQPLPFDKAAANKYLKDTCAVHGTVQVFVTVGKGPGRGMAWGCDLSYDYVKINAEYTT,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_163adc14538e2131d4c18d81,test
catpreddb_km_km_7a2a1f17cc4405,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.6195245465700956,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_7a46a7023989df,catpred_iteration1_km,km,Q28056,Q28056,MAPRKNAKGGGGNSSSSSSGSPTGCTSGGSSSPGARRETKQGGLKNGRKGGLSGSSFFTWFMVIALLGVWTSVAVVWFDLVDYEEVLAKAKDFRYNLSEVLQGKLGIYDADGDGDFDVDDAKVLLGLKEKPAPKPTVPPEEADMYPWLEDQVLESPGRQNIEDEVYEQVQSLDETVYSEPGENLPQEPEGPAEELQPDDHVFVGSDADDRYEPMGTGAVHEETEDSYHIEETASPAYSQDMEDMMYEQENPDSSEPVVVDDAERTYQETDDVTYRDYDEQDHAVDNSNTILEEPHMPPAEEQQEVPPETNKKADEPGKKGKVKKKKPKLLNKFDKTIKAELDAAEKLRKRGKIEEAVNAFEELVRKYPQSPGARYGKAQCEDDLAEKRRSNEILRRAIETYQEAASLPDAPTDLVKLSLKRRSDRQQFLGHMRGSLLTLQKLVQLFPDDTALKNDLGVGYLLIGDNDSAKKVYEEVLSVTPNDGFAKVHYGFILKAQNKIAESIPYLKEGIESGDPGTDDGRFYFHLGDAMQRVGNKEAYRWYELGHQRGHFASVWQRSLYNVQGLKAQPWWTPKETGYTELVKSLERNWKLIRDEGLAAMDRTHGLFLPEDENLREKGDWSQFTLWQQGRKNENACKGAPKTCSLLDKFPETTGCRRGQIKYSIMHPGTHVWPHTGPTNCRLRMHLGLVIPKEGCKIRCANETRTWEEGKVLIFDDSFEHEVWQDAASFRLIFIVDVWHPELTPHQRRSLPAI,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-2.1268965168894645,,s_cf524b31fa8bc38038fed61b,test
catpreddb_km_km_7a533e9e078b8a,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_7a588c77b08ed9,catpred_iteration1_km,km,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.4507877434752663,,s_2764a837703abb2f4c81a0d2,test
catpreddb_km_km_7a58f5235a8acb,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1,O=C(O)CN=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1,O=C(O)CN=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_7a65114c653113,catpred_iteration1_km,km,Q97LM4,Q97LM4,MKKFSVVIAGGGSTFTPGIVLMLLDNMDKFPIRKLKFYDNDKERQAIVAGACEIILKEKAPEIEFLATTNPKEAFTDVDFVMAHIRVGKYAMRELDEKIPLKYGVVGQETCGPGGIAYGMRSIGGVIEILDYMEKYSPNAWMLNYSNPAAIVAEATRKLRPNSKILNICDMPIGIETRMAEILGLESRKEMTVKYYGLNHFGWWSDIRDKDGNDLMPKLKEHVKKYGYVAENGDTQHTDASWNDTFAKAKDVYAVDPSTLPNTYLKYYLFPDYVVEHSNKEYTRANEVMDGREKFVFGECKKVIENQSTKGCKMEIDEHASYIVDLARAISYNTHERMLLIVPNNGSIENFDSTGMVEIPCIVGSNGPEPLTMGKIPQFQKGLMEQQVSVEKLVVEAWKEKSYQKLWQAITLSRTVPSAKVAKQILDELIEVNKDYWPELN,O=P(O)(O)OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.290034611362518,,s_be4aea315c1e1fcf408ccb27,test
catpreddb_km_km_7a6cdd4edcd9a0,catpred_iteration1_km,km,E5G727,E5G727,TSYYEPEFYTPDGGGTAHLSVVAEDGSAVSATSTINLYFGSKVRSLVSGILFNDEMDDFSSPNITNEFGVPPSPANFIKPGKQPLSSMCPAIIVGR,NCC(O)=NCC(=O)O,NCC(O)=NCC(=O)O,NCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_6b2d5af3416892b8b3790888,test
catpreddb_km_km_7a6d646c6ad482,catpred_iteration1_km,km,P12860,P12860,MASHAALAPSRIPASTRLASKASQQYSFLTQCSFKRLDVADFSGLRSSNSVTFTREASFHDVIAAQLTTKPTGAAPVRGETVAKLKVAINGFGRIGRNFLRCWHGRKDSPLDVVVVNDSGGVKSATHLLKYDSILGTFKADVKIIDNETFSIDGKPIKVVSNRDPLKLPWAELGIDIVIEGTGVFVDGPGAGKHIQAGAKKVIITAPAKGSDIPTYVVGVNEKDYGHDVANIISNASCTTNCLAPFVKVLDEELGIVKGTMTTTHSYTGDQRLLDASHRDLRRARAAALNIVPTSTGAAKAVSLVLPQLKGKLNGIALRVPTPNVSVVDLVVNIEKVGVTAEDVNNAFRKAAAGPLKGVLDVCDIPLVSVDFRCSDFSSTIDSSLTMVMGGDMVKVVAWYDNEWGYSQRVVDLADLVANKWPGLEGSVASGDPLEDFCKDNPADEECKLYE,O=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O,O=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O,O=C(OP(=O)(O)O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.761439372640169,,s_6c4ee0d94efd8acbc45fe111,test
catpreddb_km_km_7a7ecdfca4c338,catpred_iteration1_km,km,Q81ST8,Q81ST8,MSGLHILAFGAHADDVEIGMAGTIAKYTKQGYEVGICDLTEADLSSNGTIELRKEEAKAAARIMGVKTRLNLAMPDRGLYMKEEYIREIVKVIRTYKPKLVFAPYYEDRHPDHANCAKLVEEAIFSAGIRKYMPEVPPHRVESFYHYMINGFHKPNFCIDISEYVSQKVEALEAYESQFSTGSDGVKTPLTEGYVETVVAREKMFGKEVGVLYAEGFMSKKPVLLHADLIGGCK,N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O,N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O,N[C@@H](CS)C(=O)N[C@H]1[C@@H](O[C@@H](CC(=O)O)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3187587626244128,,s_bd9cd0da3bac4689a91c75df,test
catpreddb_km_km_7a845eff28f518,catpred_iteration1_km,km,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1,COC(=O)/C=C/c1ccc(O)c(OC)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7456936676687145,,s_9e06a86c4d466395e96365e4,test
catpreddb_km_km_7a97039c284503,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0282604091122217,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_7abd8820d75b01,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.2175273758337138,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_7ac0aac9c0b0ec,catpred_iteration1_km,km,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C=CC(=O)CC,C=CC(=O)CC,C=CC(=O)CC>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_km_km_7aca3c062d48e4,catpred_iteration1_km,km,H0VM25,H0VM25,MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAITYALSVGYRHIDCAAVYGNETEIGEALKANVGPGKAVPREEVFVTSKLWNTKHHPEDVEPALRKTLTDLQLEYLDLYLMHWPYAFERGDNPFPKNADGTVRYDSTHYKETWKALEVLVAKGLVRALGLSNFSSRQIDDVLSVASVRPAVLQVESHPYLAQNELIAHCQAHGLEVTAYSPLGSSDRAWRHPDEPILLEDPLVLALAEKYGRSPAQILLRWQVQRKVICIPKSVTPSRILENIQVFDFTFNPEEMKQLDALNKNWRYIVPMITVDGKRVPRDAGHPLYPFNDPY,OC1C=CC=CC1O,OC1C=CC=CC1O,OC1C=CC=CC1O>>,public_strict_iteration1_fulltrue_msa,,-0.1185399897971761,,s_03d502bb58a0cf841239f73f,test
catpreddb_km_km_7acb90cae90f12,catpred_iteration1_km,km,Q7WG29,Q7WG29,MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLATNQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACRKPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGRKTLAQGGLPEGTRVCEDLAAVAEQLLQEA,O=P(O)(O)OC[C@@H](O)[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@@H](O)[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@@H](O)[C@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_f6b925754d8a6e851a8f041b,test
catpreddb_km_km_7adada6c63ceac,catpred_iteration1_km,km,A0A191W0D9,A0A191W0D9,MLKIKDYEFWFIVGSQHLYGKETLDAVKEDAEKIINEINASGKLPYPIVFKTVATTADSITQVMKEVNYNDNVAGVITWMHTFSPAKNWIRGTKLLQKPLLHLATQFLDHIPWETIDMDYMNLHQSAHGDREYGFINARLNKNNKIVVGHWKDEKVQTQIGQWMDVAVAFNESFNIKVARFGDNMRNVAVTDGDKIEAQIQFGWTVDYYGIGDLVAEMKEVTDQEIEAVCAECQEKYELVVGNNDPAYFEDHVKEQIRIEIALRKFLDRGGYTAFTTNFEDLWGMKQLPGMAVQRLNAEGYGFAGEGDWKTAALDRLVKIMAHNEKTGFMEDYTYNLVKGHEEILGSHMLEVDPTLASGKIRVEVHPLGIGDREDPARLVFDGTDGDAVNLTVSDFGDQFKLVMYEVDGKKPAEAAPKLPVARQLWTPKPGFYEGVQKWIENGGGHHTVLSFAVTAEQIEDFAKMVGLKTVKI,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@H](O)[C@H]1O,OC[C@@H]1OC(O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.4310419453358856,,s_69ff9f946a645ccc8d87518c,test
catpreddb_km_km_7ae2a11422a4d1,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,O=CCCCC=O,O=CCCCC=O,O=CCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.7543191530828637,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_7ae495a07c6283,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NCCCC(N)C(=O)O,N=C(N)NCCCC(N)C(=O)O,N=C(N)NCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5548350108657434,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_7af43a0ef168ec,catpred_iteration1_km,km,Q8IE38,Q8IE38,MHKNICIYGGSFDPITYAHEMVLDKISNLNWIHEIWVVICRCRNDKSLTEFHHRHNMFTIIINNSSKIIKSKIFLKDLESHSEMTPTYDLLKTQKELHPNYTFYFGLGSDLICDIFSWDEGEKLVLENAFIIIERGHFKIDESILKKFPKYYLINIPKLSFINFISSSEARKFLTKENDINDIKKYIHPLTIDYIIKYNLYDFN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7536094389261265,,s_979d2073702645bf77230a4c,test
catpreddb_km_km_7b1bb3763b5981,catpred_iteration1_km,km,A0A8B4RA61,A0A8B4RA61,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,OC/C=C/c1ccccc1,OC/C=C/c1ccccc1,OC/C=C/c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_km_km_7b364ea50fd03a,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,CSC[C@H](N)C(=O)O,CSC[C@H](N)C(=O)O,CSC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.5565908754603182,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_7b48b6f7e69d63,catpred_iteration1_km,km,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CC(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.9625735020593764,,s_9cc6c1623917d877b3099a50,test
catpreddb_km_km_7b5e4d1b6a49dc,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7075701760979364,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_7b63d68b62935b,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_7b66431b6b292d,catpred_iteration1_km,km,Q38707,Q38707,MAKSSEIEHPVKAFGWAARDTTGLLSPFKFSRRATGEKDVRLKVLFCGVCHSDHHMIHNNWGFTTYPIVPGHEIVGVVTEVGSKVEKVKVGDNVGIGCLVGSCRSCESCCDNRESHCENTIDTYGSIYFDGTMTHGGYSDTMVADEHFILRWPKNLPLDSGAPLLCAGITTYSPLKYYGLDKPGTKIGVVGLGGLGHVAVKMAKAFGAQVTVIDISESKRKEALEKLGADSFLLNSDQEQMKGARSSLDGIIDTVPVNHPLAPLFDLLKPNGKLVMVGAPEKPFELPVFSLLKGRKLLGGTINGGIKETQEMLDFAAKHNITADVEVIPMDYVNTAMERLVKSDVRYRFVIDIANTMRTEESLGA,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,2.088524153914373,,s_84ddf20cad6ec362da938691,test
catpreddb_km_km_7b67585227c1c0,catpred_iteration1_km,km,P08144,P08144,MFLAKSIVCLALLAVANAQFDTNYASGRSGMVHLFEWKWDDIAAECENFLGPNGYAGVQVSPVNENAVKDSRPWWERYQPISYKLETRSGNEEQFASMVKRCNAVGVRTYVDVVFNHMAADGGTYGTGGSTASPSSKSYPGVPYSSLDFNPTCAISNYNDANEVRNCELVGLRDLNQGNSYVQDKVVEFLDHLIDLGVAGFRVDAAKHMWPADLAVIYGRLKNLNTDHGFASGSKAYIVQEVIDMGGEAISKSEYTGLGAITEFRHSDSIGKVFRGKDQLQYLTNWGTAWGFAASDRSLVFVDNHDNQRGHGAGGADVLTYKVPKQYKMASAFMLAHPFGTPRVMSSFSFTDTDQGPPTTDGHNIASPIFNSDNSCSGGWVCEHRWRQIYNMVAFRNTVGSDEIQNWWDNGSNQISFSRGSRGFVAFNNDNYDLNSSLQTGLPAGTYCDVISGSKSGSSCTGKTVTVGSDGRASINIGSSEDDGVLAIHVNAKL,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1,CC1OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](Oc9ccc([N+](=O)[O-])cc9)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_00a993cbd13b9cc0076486bf,test
catpreddb_km_km_7b682baddce536,catpred_iteration1_km,km,Q485S0,Q485S0,MTKNIAQAAVKFEQWQPKIEQESYLTINSLECHTGGEPLRIITSGFPVLKGNTILAKANDCKQNYDQLRRALMFEPRGHADMYGAIITDAERDDSHFGAVFIHNEGYSSMCGHAVIALTKTAVESGVVARTGDVTQVVIDVPCGQIYAMAYSHNNVVKHVSFQCVPSFVYAKDQQVEVDGIGMVQFDIAYGGAFYAYVQASSLGLSLVPEQQEKLIAYGRKIKQAIIPQFEINHPTTAELSFLYGVIFIDDSPNQDVHSRNVCIFADGELDRSPTGSGVSGRIALHHAKQQIVLNETITIESILASSFSVRAIETVCFAGFDAVIPEVTGDAYVCGKGQWFINAEDPLKYGFLLR,O=C(O)[C@@H]1CCCN1,O=C(O)[C@@H]1CCCN1,O=C(O)[C@@H]1CCCN1>>,public_strict_iteration1_fulltrue_msa,,1.2683044694970549,,s_eaed4ec956fe64c490e4e848,test
catpreddb_km_km_7b753926e5e9d0,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(C)C(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,CC(C)C(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,CC(C)C(=O)N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_7b94f009f62ce8,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCC/C=C/CCCCCCCC(=O)[O-],CCCCCCCC/C=C/CCCCCCCC(=O)[O-],CCCCCCCC/C=C/CCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.9625735020593764,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_7ba38eff14dbad,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.283996656365201,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_7bb8ed772f1759,catpred_iteration1_km,km,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O,O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O,O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_c914da2418e4f7c204592eba,test
catpreddb_km_km_7bb92f8230c13f,catpred_iteration1_km,km,Q5I6B5,Q5I6B5,MEKIEVSIISRDTIKPSAASSSLHPYKLSIIDQFTPTTYFPVIFFYPITDRVFNLPQTLTDLKNTVSQALTLYHPLSGRIKNNLYIDDFEAGIPYLEARVNFHMIDFLRLPKIEWLNEFVPMAPYRKETISEFLPLLGIQVNIFDSGIAIGVSFSHKINDGQTASCFLKSWVAIFRGYRNKIIHPNLSQAALLLPSRDDLPEKYVAMMERMWFGEKKVVTRRFVFDAKAISALQDEGKSEYVPKPSRVQALTGFLWKHQLAASRALSSGTSTRFSVASQTVNLRSKMNMKTTLDNAIGNIFLWASARLDLNDTAPGSSDLKLCDLVNLLNESIKEFNSDYLEILKGKEGYGGMCDLLDFMEEGSFVEPAPEFYSFSSWTRFFDQVDFGWGRPSWVGFSGRVETRNFTIFVETQCDDGIDAWVTVDEKQMAMLEQDPQFLAFASPNPRISIASSVGMD,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO,CC(C)=CCC/C(C)=C/CO>>,public_strict_iteration1_fulltrue_msa,,0.4445132063340429,,s_c7bbaddd8533855138d88c4c,test
catpreddb_km_km_7bc2047b7538e9,catpred_iteration1_km,km,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,COc1ccc(CCN)cc1,COc1ccc(CCN)cc1,COc1ccc(CCN)cc1>>,public_strict_iteration1_fulltrue_msa,,1.155336037465062,,s_7b85f430e37427f09efb431e,test
catpreddb_km_km_7bccf7760611ac,catpred_iteration1_km,km,P74383,P74383,MTPKLIIHGGASSLDDKGGLATVRQSLHQIVAAVYETLTAGGSAMDAVVQGCELLENEPRFNAGTGSVLQSDGQVRMSASLMDGDRQNFSGVINVSRIKNPIQMAQFLQGQTDRILSDYGAADLAREMQLPIYDPATDFRIQEWMEERGEDVRKKMARLIADPTVGIEARKGTIGVVALDANGKIAAGTSTGGKGLERIGRVSDSAMPAGNYATRFAGVSCTGVGEDIINECLAAKVVIRVKDGQNLAQAMAKSITEALENNTDLGAIALDHQGHIAWGKTCPVLLAAYHTGTAIGDTLELTDGDHYGNASILKLQKTVKKIQTKTRGK,NC(=O)CC(N)C(=O)O,NC(=O)CC(N)C(=O)O,NC(=O)CC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1804560644581313,,s_67bbd88f80b76ce39c05827b,test
catpreddb_km_km_7bd407f9bfd25c,catpred_iteration1_km,km,P0C0F4,P0C0F4,MKIAVAGSGYVGLSLGVLLSLQNEVTIVDILPSKVDKINNGLSPIQDEYIEYYLKSKQLSIKATLDSKAAYKEAELVIIATPTNYNSRINYFDTQHVETVIKEVLSVNSHATLIIKSTIPIGFITEMRQKFQTDRIIFSPEFLRESKALYDNLYPSRIIVSCEENDSPKVKADAEKFALLLKSAAKKNNVPVLIMGASEAEAVKLFANTYLALRVAYFNELDTYAESRKLNSHMIIQGISYDDRIGMHYNNPSFGYGGYCLPKDTKQLLANYNNIPQTLIEAIVSSNNVRKSYIAKQIINVLKEQESPVKVVGVYRLIMKSNSDNFRESAIKDVIDILKSKDIKIIIYEPMLNKLESEDQSVLVNDLENFKKQANIIVTNRYDNELQDVKNKVYSRDIFGRD,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_613ff69dedff2ae8096b03f3,test
catpreddb_km_km_7bda5946c1814f,catpred_iteration1_km,km,C8CJG6,C8CJG6,MFYMTAQDYSVFDVVVVGSGAAGMVAALTAAHQGLSTVVVEKAPHYGGSTARSGGGVWIPNNEVLQRDGVKDTAAEARKYLHAIIGDVVPAEKIDTYLDRSPEMLSFVLKNSPLKLCWVPGYSDHYPETPGGKATGRSVEPKPFNAKKLGPDEKGLEPPYGKVPLNMVVLQQDYVRLNQLKRHPRGVLRSIKVGVRSVWANATGKNLVGMGRALIAPLRIGLQKAGVPVLLNTALTDLYIEDGVVRGIYVREAGAPESAEPKLIRARRGVILGSGGFEHNQEMRTKYQRQPITTEWTVGAVANTGDGILAAEKLGAALELMEDAWWGPTVPLEGAPWFALSERNSPGSIIVNMNGKRFMNESMPYVEACHHMYGGQYGQGAGPGENVPAWMIFDQQYRDRYIFAGLQPGQRIPKKWMESGIIVKADSLAELAEKTGVAADALKATIERFNGFARSGVDEDFHRGESAYDRYYGDPTNKPNPNLGEIKHGPFYAAKMVPGDLGTKGGIRTDVHGRALRDDNSVIEGLYAAGNVSSPVMGHTYPGPGGTIGPAMTFGYLAALHLAGKA,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-1.0861861476162833,,s_b5ac5daf98080f0adc396a85,test
catpreddb_km_km_7bf9cada5a47b3,catpred_iteration1_km,km,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,OC1COC(OC2COC(O)C(O)C2O)C(O)C1O,OC1COC(OC2COC(O)C(O)C2O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_577e1452403bbeb8c4453dd0,test
catpreddb_km_km_7bfc6a73722eac,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CSc1ccccc1,O=C(O)CN=C(O)CSc1ccccc1,O=C(O)CN=C(O)CSc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_7c0f1ce17a1793,catpred_iteration1_km,km,A8Q3I7,A8Q3I7,MLQEIGAWPVWQQALTFLVGGLALIVGINVLVQVLVPRNKSLPPMVFHWVPVVGSAITYGMDPYRFFFNCREKYGDVFTFKLFGRNVTVALGPKGSNLVFNGRLTQVSAEEAYTSLTTPVFGKGVVYDVPNAVLMEQKRFVKSGLSMENFRMYVTQIESEVKDFINNDAAFLPLQKGATSVTVDIFNVFSEITILTASRTLQGKEVRESLDKTFAKLYHDLDSGFTPINFVIPNLPLPNNFRRDRAQRLMSDFYLGIIKKRREGNTEGTEHDMISALMEQSYKNGRNINDREIAHMMIALLMAGQHTSSATGSWAMLRLASRPEIIEELYEEQKRVYSDGTGGFAPLDYDIQKSSVPVLDAVIRETLRLHPPIHSIMRKVKSDMVVPPTLAAPISSKGSRDETYVIPKGHYVIAAPGVSQVDPKIWEDASRFDPHRWLGDKANVMNQTDDAQEDFGWGMVSTGANSPYLPFGAGRHRCIGEQFAYLQLGTIISTFVRAFDWRLETKLPAPDYTSMVVLPTQPANLVFTPRKNKA,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3>>,public_strict_iteration1_fulltrue_msa,,-1.2588484011482148,,s_f75b3d4434514f1803ffdf0f,test
catpreddb_km_km_7c124a2fb3dc94,catpred_iteration1_km,km,Q3SYC2,Q3SYC2,MVEFAPLFMPWERRLQTLAVLQFVFSFLALAEICTVGFIALLFTRFWLLTVLYAAWWYLDRDKPRQGGRHIQAIRCWTIWKYMKDYFPISLVKTAELDPSRNYIAGFHPHGVLAVGAFANLCTESTGFSSIFPGIRPHLMMLTLWFRAPFFRDYIMSAGLVTSEKESAAHILNRKGGGNLLGIIVGGAQEALDARPGSFTLLLRNRKGFVRLALTHGAPLVPIFSFGENDLFDQIPNSSGSWLRYIQNRLQKIMGISLPLFHGRGVFQYSFGLIPYRRPITTVVGKPIEVQKTLHPSEEEVNQLHQRYIKELCNLFEAHKLKFNIPADQHLEFC,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_d26617f4789cd10d2d240843,test
catpreddb_km_km_7c1a8aabccf90e,catpred_iteration1_km,km,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CCCCCCCCC(=O)O,CCCCCCCCC(=O)O,CCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3273589343863303,,s_6054a43023a3df240062cbaf,test
catpreddb_km_km_7c3ed0849e6e38,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_7c42d6a2aaa61e,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,O[C@@H]1CCCc2ccccc21,O[C@@H]1CCCc2ccccc21,O[C@@H]1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.5528419686577808,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_7c5073600cb043,catpred_iteration1_km,km,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C/C=C/C=O,C/C=C/C=O,C/C=C/C=O>>,public_strict_iteration1_fulltrue_msa,,0.255272505103306,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_km_km_7c68ec5778c86a,catpred_iteration1_km,km,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCCNCCCN=C(C)O,CC(O)=NCCCCNCCCN=C(C)O,CC(O)=NCCCCNCCCN=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_km_km_7c7252d210e604,catpred_iteration1_km,km,B3VPB3,B3VPB3,MGVSAVLLPLYLLSGVTSGLAVPASRNQSTCDTVDQGYQCFSETSHLWGQYVPFFSLANESAISPDVPAGCRVTFAQVLSRHGARYPTDSKGKKYSALIEEIQQNATTFDGKYAFLKTYNYSLGADDLTPFGEQELVNSGIKFYQRYESLTRNIIPFIRSSGSSRVIASGKKFIEGFQSTKLKDPRAQPGQSSPKIDVVISEASSSNNTLDPGTCTVFEDSELADAVEANFTATFVPTIRQRLENDLSGVSLTDTEVTYLMDMCSFDTISTSTVDTKLSPFCDLFTHDEWINYDYLQSLKKYYGHGAGNPLGPTQGVGYANELIARLTHSPVHDDTSSNHTLDSNSATFPLNSTLYADFSHDNGIISILFALGLYNGTKPLSTTTVQNITQTDGFSSAWTVPFASRLYVEMMQCQAEQEPLVRVLVNDRVVPLHGCPVDALGRCTRDSFVKGLSFARSGGDWAECFA,O=P([O-])(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+],O=P([O-])(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+],O=P([O-])(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O.[Na+]>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_5ed105acb4c7e38459e7081e,test
catpreddb_km_km_7c74174e6b663c,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1,O=Cc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8723102178367562,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_7c74502ca1d07a,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_7c9d87ab5ec0d6,catpred_iteration1_km,km,Q72G76,Q72G76,MLFPTMKRFLRGLVWLLGLFLFLALLLGFSGYLYLRASLPQGEGRIALEGLSAPVEVVRDGKGVVRIRAATLKDLFFAQGFVHAQERLWQMEFQRRVGQGRLSEILGEATLPQDRFLRTWGFYRAARAAYGKLYPEEKEAVDAYAAGVNAFLASGAPLPPEFRLLGFRPEPWTGPDVLVWAKMMSYDLSGNWEEELKRHRLLARGVSPKRLLELKPPYPEDAPTVLRAEDLKLPLKREEAPSALLRMAPPRFMEASNNWVVAGSRTETGKPFLANDPHLALQAPSLWFLMALEAPGLRAIGATLPGLPGVVIGRNERIAWGVTNVGADVEDLYLLEEVEGRGYRYKGRVVPYGVREEVIRVKGGREEVLKVRETVYGPVITDALEDPPKTPMALRWVSLDEEDHILMAFLGVNRAGNWEEFKKALLPYSAPSQNFVYADVEGNIGYIAPGKFPVRKEGHTGMVPVPGNGEWDWLGYRRPEEWPQAFNPARGYLVTANHKVTPKGFPYALTYDWAEPYRAERIEELLLAKEKLSLEDMKAIQQDQKSLLYRDFRPVLELLTPLSEGARAWRDRLLAWDGTMAPGSEEALVFALWYTELTRLPQREVGEAYWDEPRYLLKALKEGDKNCDQPETEYRESCLDYAALALERALDRKEALGARAWGEVHRARFPHAVLTHTPLKRLSDREVAFGGDRYTVNVGPFDPETLAMGHGPSYRQIVDLSDMEGSLFVHPMGQSGHFLSRHYADLLPLWQRGDYLPMRFGAPLGRTLLLEPLPSP,CCCCCCCC(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,CCCCCCCC(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,CCCCCCCC(O)=N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4948500216800939,,s_0302b035d94cd196362ff89e,test
catpreddb_km_km_7c9dd0e1cacccb,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0655015487564322,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_7ca1dd71a0900c,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_7cadd3e7b30101,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,O=Cc1cccc([N+](=O)[O-])c1,O=Cc1cccc([N+](=O)[O-])c1,O=Cc1cccc([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_7ccdf5192a442b,catpred_iteration1_km,km,O15296,O15296,MAEFRVRVSTGEAFGAGTWDKVSVSIVGTRGESPPLPLDNLGKEFTAGAEEDFQVTLPEDVGRVLLLRVHKAPPVLPLLGPLAPDAWFCRWFQLTPPRGGHLLFPCYQWLEGAGTLVLQEGTAKVSWADHHPVLQQQRQEELQARQEMYQWKAYNPGWPHCLDEKTVEDLELNIKYSTAKNANFYLQAGSAFAEMKIKGLLDRKGLWRSLNEMKRIFNFRRTPAAEHAFEHWQEDAFFASQFLNGLNPVLIRRCHYLPKNFPVTDAMVASVLGPGTSLQAELEKGSLFLVDHGILSGIQTNVINGKPQFSAAPMTLLYQSPGCGPLLPLAIQLSQTPGPNSPIFLPTDDKWDWLLAKTWVRNAEFSFHEALTHLLHSHLLPEVFTLATLRQLPHCHPLFKLLIPHTRYTLHINTLARELLIVPGQVVDRSTGIGIEGFSELIQRNMKQLNYSLLCLPEDIRTRGVEDIPGYYYRDDGMQIWGAVERFVSEIIGIYYPSDESVQDDRELQAWVREIFSKGFLNQESSGIPSSLETREALVQYVTMVIFTCSAKHAAVSAGQFDSCAWMPNLPPSMQLPPPTSKGLATCEGFIATLPPVNATCDVILALWLLSKEPGDQRPLGTYPDEHFTEEAPRRSIATFQSRLAQISRGIQERNQGLVLPYTYLDPPLIENSVSI,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7803336530848686,,s_bc3c7902a9246b443e0ad337,test
catpreddb_km_km_7cd4d16f474710,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-2.915015913001554,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_7cee736f16fa88,catpred_iteration1_km,km,A0A1I7XNU0,A0A1I7XNU0,MTWTQALWAATMLITVYGRAVLHGDHLVHTKLGVIRGIEQKYGDQRVSAFLGVPYARPPVGTRRFAIPEMIEKWTGEMEANFAAKTCYLTIDTAFPQFPGAEMWNPPNGISEDCLNMNIWVPEVHDGSVLVWIYGGGFFSGSPSLALYDGTVLAAKKRTIVVNINYRLGPFGFLYLGDDSLIPGNMGLLDQQVALQWVHDNIESAGSASATAHLAAPDSHNYFNKIIANSGTIINSWASRTPDTMLELSLRLAKRLNCTSHGTDPLLIHNCLKAIPASTIQSEADIVSGDIGLPMTFAFVPVSADRNFFKGDVFDRLRRRDFKKDVSAILGSVKDEGTYWLPYYMNSNRYGFWFNHTISAEDPQNRALITRWTT,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,0.26053726083105,,s_dc7c2b1f8090a43cd4f852fc,test
catpreddb_km_km_7cfd27217e22bb,catpred_iteration1_km,km,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O,C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_874a36db5b07813dd2a06872,test
catpreddb_km_km_7d0c20b7a01a29,catpred_iteration1_km,km,P37666,P37666,MKPSVILYKALPDDLLQRLQEHFTVHQVANLSPQTVEQNAAIFAEAEGLLGSNENVNAALLEKMPKLRATSTISVGYDNFDVDALTARKILLMHTPTVLTETVADTLMALVLSTARRVVEVAERVKAGEWTASIGPDWYGTDVHHKTLGIVGMGRIGMALAQRAHFGFNMPILYNARRHHKEAEERFNARYCDLDTLLQESDFVCLILPLTDETHHLFGAEQFAKMKSSAIFINAGRGPVVDENALIAALQKGEIHAAGLDVFEQEPLSVDSPLLSMANVVAVPHIGSATHETRYGMAACAVDNLIDALQGKVEKNCVNPHVAD,O=C(O)C(=O)C(O)C(O)C(O)CO,O=C(O)C(=O)C(O)C(O)C(O)CO,O=C(O)C(=O)C(O)C(O)C(O)CO>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_d75c553801007e38e2c3b60c,test
catpreddb_km_km_7d3d7579ba70bc,catpred_iteration1_km,km,Q3M985,Q3M985,MVIISRSSALPFPQGGAKTQRKKFDELFVAGGSLREAIACAGEVLIDCFATQGKPYSGRSPQELSRTIADIAVCPDEGVGLRQVLAEVGEKIIKHSVVVTHPTCMAHLHCPPLLPAVAAEVLISGTNQSLDSWDQSPAATVLEQQVVNWLCASFGYDAGADGIFTSGGTQSNFMGLLLARDAYAHRQLNWCVQQQGLPPEAQRFRILCSQVAHFTISQAASLLGLGQQAVVAVETDSDYQLCAADVEQKLEQLQQQDLLPIALVATAGTTDFGSIDKLPELAACAEKYGLWFHVDAAFGGALVMSDRHRDKLDGIALADSITVDFHKLFYQPISCGAFLVKQHQNFDLIKLHADYLNPETNEIASIPDLVTKSIQTTKRFDALKLFVSLRTLGRRQFADMIDTTIELAKETANLIDAEPALELANNPTINAVVFRYLPSETPAHLDSTTWANQINSHIRMSLLQQGIAVIAQTKIGQLTYLKFTLLNPQTAIADIQEVLNSITTIGEKHLFHPQESQEGLSL,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2676062401770315,,s_c51f800e701e9ea0396bc442,test
catpreddb_km_km_7d3eefca7abf94,catpred_iteration1_km,km,Q5SLG5,Q5SLG5,MVQVPEIPKVETVELPAKETALIVVDMQNDFAHPKGALFVPDAPQSVPAIRLLLERARQAGAKVVYTQDWHREDDPEFQIWPRHAVAGTWGAEILEELKPEPEDLVIRKVRYDAFYGTPLDHYLHLFGVKHVVVTGTVANICVLHTAGSAALRWYNVVLPEDATSALTPFDLEATLRQVTFLYQGKVTRAEGVRFV,N=C(O)c1cccnc1,N=C(O)c1cccnc1,N=C(O)c1cccnc1>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_1135a0dff9e538f0cca8a3e8,test
catpreddb_km_km_7d48fca4fe98b0,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-4.2076083105017466,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_7d635ca918b458,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CC(O)C(=O)O,CC(O)C(=O)O,CC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7177032939446395,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_7d684a66bd715f,catpred_iteration1_km,km,P31213,P31213,MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCLHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.853871964321762,,s_7be15bef7aeb161cc050a294,test
catpreddb_km_km_7d821d7d7e7fdb,catpred_iteration1_km,km,A0A9E6E518,A0A9E6E518,MSEMTLYGYWRSSAAYRVRIALNLKQLPYEQRSIHLVNNGGEQHSVQFQSLNASELVPVLIDGSVRLNQSLAIIDYLDEQYPSYLLTPLETQSRFLVKALAQDIAVDIHPINNLRVLQYLSNELSVDEAQKSRWYRHWINVGFHSLEKKLSETHGAYCVGDEISLVDVCLVPQVYNAERFSVDLDRYPIIQKVTVSLCRHPAFIAAAPENQPDAVAS,CC(=O)/C=C/C(=O)[O-],CC(=O)/C=C/C(=O)[O-],CC(=O)/C=C/C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_d3d474a7bb6454c732e4921f,test
catpreddb_km_km_7d870a20e70910,catpred_iteration1_km,km,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-],CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-],CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.354577730650908,,s_27531fb3688217415c49ec38,test
catpreddb_km_km_7dcf88cc08b28a,catpred_iteration1_km,km,Q70GK9,Q70GK9,MAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSGAGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFYSREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVSAIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADAGEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEAR,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3104045145563312,,s_54d0045dd302676c073cb3d0,test
catpreddb_km_km_7dd0c9dc878a53,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)NC(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-0.6620817274273267,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_7dde7cc2689ebf,catpred_iteration1_km,km,Q9D110,Q9D110,MAAVTVNSAKRGLRAELKQRLRALSAEERLRQSLLLTQKVIAHNQYQNSKRISIFLSMQDEVETEVIIKDIFKQGKICFIPRYQFQSNHMDMVRLTSSEEIALLPKTSWNIHQPGEGDVREEALSTGGLDLIFLPGLGFDKDGNRLGRGKGYYDTYLKRCVQHQEVKPYTMALAFKEQICPQIPVDEHDMKVDEVLYEDSPAS,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O>>,public_strict_iteration1_fulltrue_msa,,-2.3010299956639813,,s_80e07502537b5f09b4ea0de2,test
catpreddb_km_km_7de09baf3934c3,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O3)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.283996656365201,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_7de54280f6593e,catpred_iteration1_km,km,S5RVR8,S5RVR8,MKLHHLLLSLVPLAGSVYAQVAAPYVDSGNGFVFDGITDPVYHVSYGIVLPQATTSSEFIGEIVAPLDAKWIGLALGGAMIGDLLIVAWPNGNEIVSSTRYATAYQLPDVYEGPTITTLPSSLVNSTHWKFVFRCQNCTSWEGGGGIDPTGTGVFAWAYSSVGVDDPSDPNTTFQEHTDFGFFGINFPDAQNSNYQNYLQGDAGTPPPTSTPTGPTTTTTPTGPTVSATPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTAQTGGTYDAPWAKSANLTKFDIPGLFESMFTDPNPWWWCKDTNFFAGCLLGGGTSVNGALYWLPTDSDFSSQNGWPTSWGNHQPYTTKLKQRLPSTDHPSTDGQRYLEQSATVVSQLLSGQGYQQITINDNPDYKDHVYGYSAFDFINGQRAGPVATYLQTALARSNFVYKDYTLVSQVLRNGSTITGVRTNNTALGPNGIVPLNPNGRVILAAGSFGTPRILFQSGIGPTDQIQTVESNPTAAANLPPQSDWINLPVGQAVSDNPSINLVFTHPSIDAYENWADVWSDPRPADAQQYLQSRSGVFAGASPKLNFWRAYGGSDGKTRYAQGTVRPGAASVNTSVAYNASQIFTITVYLSEGITSRGRLGVDAALNMKAVTNPWLTDPVDKTVLLQALHDVVSNINSVPGLTMITPDHTQTIEEYVAAYDPATMCSNHWVGAAKIGSSPSTAVVDENTKVFNTDNLFIVDASIIPALPVGNPHGMLMSAAEQAAAKILALAGGP,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.162860429009706,,s_540537e487379d25dd5c36c3,test
catpreddb_km_km_7de7653c813974,catpred_iteration1_km,km,Q9SUC0,Q9SUC0,MAIRRAQTLLCLSKFKTNFVSGSLHRFSSSSQNSNQFQNVGFIGLGNMGFRMVNNLIRAGYKVTVHDINRDVMKMFTEMGVSSRETPYEVAQDSEVVITMLPSSSHVMDVYTGTNGLLLGENDIRPALFIDSSTIDPQTTRKISLAVSNCNLKEKRDNWEKPVMLDAPVSGGVLAAEAGTLTFMVGGPEDAYLAARPILQSMGRTSIYCGGSGNGSAAKICNNLAMAVSMLGTSEALALGQSLGISASTLTEVLNTSSGRCWSSDAYNPVPGVMKGVPSSRDYNGGFASKLMAKDLNLAAASAEEVGHKSPLISKAQEIYKKMCEEGHETKDFSCVFRHFYNGKDEV,CC(CO)C(=O)O,CC(CO)C(=O)O,CC(CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1630432629404495,,s_3928aa6b0bbfef3c28d9ea2c,test
catpreddb_km_km_7deeb5e82ff0b0,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8388903526330403,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_7e0346a6f11b28,catpred_iteration1_km,km,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.3137023160675214,,s_205b4fb49279b335382e3627,test
catpreddb_km_km_7e10015b38a41a,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.361769097913378,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_7e1039b5cc9ade,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23>>,public_strict_iteration1_fulltrue_msa,,0.4392608977506033,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_7e16ecaa537c7f,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,1.0413926851582251,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_7e3a151e0b652e,catpred_iteration1_km,km,P29141,P29141,MKKGIIRFLLVSFVLFFALSTGITGVQAAPASSKTSADLEKAEVFGDIDMTTSKKTTVIVELKEKSLAEAKEAGESQSKSKLKTARTKAKNKAIKAVKNGKVNREYEQVFSGFSMKLPANEIPKLLAVKDVKAVYPNVTYKTDNMKDKDVTISEDAVSPQMDDSAPYIGANDAWDLGYTGKGIKVAIIDTGVEYNHPDLKKNFGQYKGYDFVDNDYDPKETPTGDPRGEATDHGTHVAGTVAANGTIKGVAPDATLLAYRVLGPGGSGTTENVIAGVERAVQDGADVMNLSLGNSLNNPDWATSTALDWAMSEGVVAVTSNGNSGPNGWTVGSPGTSREAISVGATQLPLNEYAVTFGSYSSAKVMGYNKEDDVKALNNKEVELVEAGIGEAKDFEGKDLTGKVAVVKRGSIAFVDKADNAKKAGAIGMVVYNNLSGEIEANVPGMSVPTIKLSLEDGEKLVSALKAGETKTTFKLTVSKALGEQVADFSSRGPVMDTWMIKPDISAPGVNIVSTIPTHDPDHPYGYGSKQGTSMASPHIAGAVAVIKQAKPKWSVEQIKAAIMNTAVTLKDSDGEVYPHNAQGAGSARIMNAIKADSLVSPGSYSYGTFLKENGNETKNETFTIENQSSIRKSYTLEYSFNGSGISTSGTSRVVIPAHQTGKATAKVKVNTKKTKAGTYEGTVIVREGGKTVAKVPTLLIVKEPDYPRVTSVSVSEGSVQGTYQIETYLPAGAEELAFLVYDSNLDFAGQAGIYKNQDKGYQYFDWDGTINGGTKLPAGEYYLLAYAANKGKSSQVLTEEPFTVE,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8170913315272192,,s_5bb9c1a50a324691b1eb1323,test
catpreddb_km_km_7e406ba50a0f5d,catpred_iteration1_km,km,Q4D3W2,Q4D3W2,MMCLKLNLLDHVFANPFMNAAGVLCSTEEDLRCMTASSSGALVSKSCTSAPRDGNPEPRYMAFPLGSINSMGLPNLGFDFYLKYASDLHDYSKKPLFLSISGLSVEENVAMVRRLAPVAQEKGVLLELNLSCPNVPGKPQVAYDFEAMRTYLQQVSLAYGLPFGVKMPPYFDIAHFDTAAAVLNEFPLVKFVTCVNSVGNGLVIDAESESVVIKPKQGFGGLGGKYILPTALANVNAFYRRCPDKLVFGCGGVYSGEDAFLHILAGASMVQVGTALQEEGPGIFTRLEDELLEIMARKGYRTLEEFRGRVKTIE,O=C(O)/C=C/C(=O)O,O=C(O)/C=C/C(=O)O,O=C(O)/C=C/C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_1cdbe163a9494ab97a2aca1f,test
catpreddb_km_km_7e50e0112ce1cd,catpred_iteration1_km,km,Q6PQJ9,Q6PQJ9,MSWWWAGAIGAAKKRLEEDDAQPKHSSVALIVGVTGIIGNSLAEILPLADTPGGPWKVYGVARRTRPAWHEDNPINYVQCDISDPDDSQAKLSPLTDVTHVFYVTWANRSTEQENCEANSKMFRNVLDAVIPNCPNLKHISLQTGRKHYMGPFESYGKIESHDPPYTEDLPRLKYMNFYYDLEDIMLEEVEKKEGLTWSVHRPGNIFGFSPYSMMNLVGTLCVYAAICKHEGKVLRFTGCKAAWDGYSDCSDADLIAEHHIWAAVDPYAKNEAFNVSNGDVFKWKHFWKVLAEQFGVGCGEYEEGVDLKLQDLMKGKEPVWEEIVRENGLTPTKLKDVGIWWFGDVILGNECFLDSMNKSKEHGFLGFRNSKNAFISWIDKAKAYKIVP,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.6420651529995463,,s_3025df5d8606abb888287682,test
catpreddb_km_km_7e59854230a993,catpred_iteration1_km,km,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,COc1ccc(CO)cc1,COc1ccc(CO)cc1,COc1ccc(CO)cc1>>,public_strict_iteration1_fulltrue_msa,,0.0128372247051722,,s_f2bb212131b83045ca25164e,test
catpreddb_km_km_7e8fbb5bbe4e6c,catpred_iteration1_km,km,A9WCM4,A9WCM4,MSTLIEAIVAREVLDSRGNPTIEVDVRLESGDVGRAIVPSGASTGAHEALELRDGDKSRYNGKGVLKAVQAVNEDIAEALIGFDAADQIALDQELIALDGTPNKSKLGANAILGVSLAAAKAAAAAFGLPLYRYLGGVYAHVLPVPMMNIMNGGQHATNSTDFQEFMIMPVGAESFREGLRWGAEIYHMLKKVIHDRGFSTTVGDEGGFAPSLPTNDAPLQLIMEAIEKAGYRPGEQIVIALDPATTEIFEDGKYHLKREGRSLSSAEMVDYWVDLVNRYPIISLEDGLAEDDWEGWALLRAKLGDRVQLVGDDFLVTNVQRLQRAIEAKAANSILIKLNQIGSLTETLSAIQLAQRSGWTAVVSHRSGESEDVTIADLVVATNAGQIKTGAPARTDRIAKYNQLLRIEEELGSAARYAGRSAFKV,O=C(O)[C@@H](CO)OP(=O)(O)O,O=C(O)[C@@H](CO)OP(=O)(O)O,O=C(O)[C@@H](CO)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1593793813122064,,s_6f24f085dc78d9c88b1b798d,test
catpreddb_km_km_7e9a04236a9481,catpred_iteration1_km,km,P20456,P20456,MADPWQECMDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEKMLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGFPFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQEDITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCLVAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIASSNKTLAERIAKEIQIIPLQRDDED,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO>>,public_strict_iteration1_fulltrue_msa,,-0.4202164033831898,,s_835376cafd645d9f967b285e,test
catpreddb_km_km_7e9c7fa7d07e4b,catpred_iteration1_km,km,Q01579,Q01579,MVLELYLDLLSQPCRAIYIFAKKNNIPFQMHTVELRKGEHLSDAFAQVNPMKKVPAMKDGGFTLCESVAILLYLAHKYKVPDHWYPQDLQARARVDEYLAWQHTTLRRSCLRTLWHKVMFPVFLGEQIRPEMLAATLADLDVNVQVLEDQFLQDKDFLVGPHISLADVVAITELMHPVGGGCPVFEGRPRLAAWYRRVEAAVGKDLFLEAHEVILKVRDCPPADPVIKQKLMPRVLTMIQ,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_7ea6aa83d5ce5a5074b475de,test
catpreddb_km_km_7e9d0515a12d20,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC(=O)CC(O)=NC1CCOC1=O,CCCCCCCC(=O)CC(O)=NC1CCOC1=O,CCCCCCCC(=O)CC(O)=NC1CCOC1=O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_7eae86dada69e3,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C,CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(=O)CCC4(C)C3CC(O)C12C>>,public_strict_iteration1_fulltrue_msa,,-2.3467874862246565,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_7eb15197652d2d,catpred_iteration1_km,km,P55772,P55772,MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.3098039199714864,,s_1d6314abafdcf5412b30cbfd,test
catpreddb_km_km_7ed7c2594acffa,catpred_iteration1_km,km,A0A7W9ZGR3,A0A7W9ZGR3,MKRLAVVVFNLGGPDSPQAVQPFLFNLFSDPAIISLPQPLRWLVAKMISGRRAPVAQEIYHHLGGKSPLLEQTQQQADALAAALTEGETEARVFIAMRYWHPMTDRAVAEVKAYAPDAVVLLPLYPQFSTTTSGSSLKLWQQEAARQGLTVPTQAVCCYPAETGFISAMVETLVPLLRQAMETGTPRLLFSAHGLPKKVVDGGDPYQAQVEQTAAAVIRVLEQRDPQWHGLDWQVCYQSRVGPLEWIGPSTDAEIERAGRDGVPLVLMPLAFVSEHSETLVELDIEYGKLAADSGVPLYLRAATVQSHPDFIGGLAGLVRQTLDWPQGATPRPDGGLRRCADRWGKCPCQP,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_d0cf31aed5376499f9f9b470,test
catpreddb_km_km_7eeb9cd53285a5,catpred_iteration1_km,km,Q8WN98,Q8WN98,MKDPDPSQVYRPDMDPEAAKDKGSFRNYTSGPLLDRVFRTYKLMHTWQTVDFVRKKHAQFGGFSYKRMTVLEAVDMLDGLVDESDPDVDFPNSFHAFQTAEGIRKAHPDKDWFHLVGLLHDLGKVLVLAGEPQWAVVGDTFPVGCRPQASVVFCDSTFQDNPDLQDPVYSTELGMYQPHCGLENALMSWGHDEYMYQMMKFNKFSLPGEAFYIIRFHSFYPWHTGGDYRQLCNEQDLAMLPWVQEFNKFDLYTKGSDMPDVDELRPYYQGLIDKYCPGVLCW,OC1C(O)C(O)C(O)C(O)C1O,OC1C(O)C(O)C(O)C(O)C1O,OC1C(O)C(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.1479484093394947,,s_aa46efec2bc6c16ffd1ea3c7,test
catpreddb_km_km_7f03096c76c03c,catpred_iteration1_km,km,Q52QT9,Q52QT9,LKMLVSYVDNLPTGDEHGLFYALDLGGTNFRVLRVQLGGKEKRAVQQYEEVPIPPHLMVGTSTELFDFIAAELERFVETEGDDFHLPEGRHRELGFTFSFPVHQTSISSGTLVKWTKGFCINGTVGEDVVAELSSAMERQGLDMKVTALVNDTVGTLAGGIYADNDVVAAVILGTGTNAAYVEHANTIPKWHG,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_47f0f329f03db35a2d6572df,test
catpreddb_km_km_7f138b29f338f0,catpred_iteration1_km,km,Q9AR67,Q9AR67,MAAKQVEVIRPVANYHPSLWGDQFLHYDEQEDEHVEVDQQIEILKEETRKEILASLDDPTKHTNLLKLIDVIQRLGIAYYFEHEITQALDHIYSVYGDEWNGGRTSLWFRLLRQQGFYVSCDIFNIYKLDNGSFKDSLTKDIECMLELYEAAYMRVQGEIILDEALEFTKTHLEHIAKDPLRCNNTLSRHIHEALERPVQKRLPRLDAIRYIPFYEQQDSHNKSLLRLAKLGFNRLQSLHKKELSQLSKWWKEFDAPKNLPYVRDRLVELYFWILGVYFEPQYSRSRIFLTKTIKMAAILDDTYDIYGTYEELEIFTKAVQRWSITCMDTLPDYMKVIYKSLLDVYEEMEEIIEKDGKAYQVHYAKESMIDLVTSYMTEAKWLHEGHVPTFDEHNSVTNITGGYKMLTASSFVGMHGDIVTQESFKWVLNNPPLIKASSDISRIMNDIVGHKEEQQRKHIASSVEMYMKEYNLAEEDVYDFLKERVEDAWKDINRETLTCKDIHMALKMPPINLARVMDMLYKNGDNLKNVGQEIQDYMKSCFINPMSV,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.6020599913279625,,s_8039cd7acf5eeb0aa8f3330a,test
catpreddb_km_km_7f20c6b77ce79f,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_7f20eb45a2db1a,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,CC(=O)OCC(N)C(=O)O,CC(=O)OCC(N)C(=O)O,CC(=O)OCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0506099933550872,,s_482422f32efc21500360d70c,test
catpreddb_km_km_7f3fc95c63706c,catpred_iteration1_km,km,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.3665315444204134,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_km_km_7f475194af122a,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_7f67a1bd8f176c,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_7f798ad23ac0f0,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC(=O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,CC12CCC(=O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,CC12CCC(=O)CC1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-1.744727494896694,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_7f79909bc4c2a1,catpred_iteration1_km,km,I6YDN6,I6YDN6,MTHSQRRDKLKAQIAASGLDAMLISDLINVRYLSGFSGSNGALLVFADERDAVLATDGRYRTQAASQAPDLEVAIERAVGRYLAGRAGEAGVGKLGFESHVVTVDGLDALAGALEGKNTELVRASGTVESLREVKDAGELALLRLACEAADAALTDLVARGGLRPGRTERQVSRELEALMLDHGADAVSFETIVAAGANSAIPHHRPTDAVLQVGDFVKIDFGALVAGYHSDMTRTFVLGKAADWQLEIYQLVAEAQQAGRQALLPGAELRGVDAAARQLIADAGYGEHFGHGLGHGVGLQIHEAPGIGVTSAGTLLAGSVVTVEPGVYLPGRGGVRIEDTLVVAGGTPKMPETAGQTPELLTRFPKELAIL,CSCC[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O,CSCC[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O,CSCC[C@H](N)C(O)=N[C@@H](C)C(O)=N[C@@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3372421683184259,,s_5ea59b234100d6ac10dc0230,test
catpreddb_km_km_7f9cee55c46a5f,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_7f9fd8865db6a6,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)nc(O)c2N1,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)nc(O)c2N1,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(=N)nc(O)c2N1>>,public_strict_iteration1_fulltrue_msa,,-1.4033291814529396,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_7fe972aded4ac2,catpred_iteration1_km,km,Q7Z8P9,Q7Z8P9,MSNEQTFIAIKPDGVQRGLIGPIISRFENRGFKLVAMKLVSPPQSQLEQHYADLSDKPFFKGLVSYMLSGPICAMVWEGRDVVKTGRTILGATNPLASAPGTIRGDFAIDVGRNVCHGSDSVENAKKEIALWFKPEELISWKSATFDWVYEKA,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.1205739312058498,,s_cf15e7b0ad16095e703f227c,test
catpreddb_km_km_7fef96407e1397,catpred_iteration1_km,km,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_km_km_8007169fef3094,catpred_iteration1_km,km,J7GP93,J7GP93,MATQGQVITCKAAVAYEPNKPLVIEDVQVAPPQAGEVRIKILFTALCHTDAYTWSGKDPEGLFPCILGHEAAGIVESVGEGVTEVQPGDHVIPCYQAECRECKFCKSGKTNLCGKVRSATGVGVMMNDRKSRFSVDGKPIYHFMGTSTFSQYTVVHDVSVAKIDPKAPLEKVCLLGCGVPTGLGAVWNTAKVEPGSNVAIFGLGTVGLAVAEGAKTAGATRIIGIDIDSKKYETAKKFGVNEFVNPKDHQKPIQEVIVDLTDGGVDYSFECIGNVSVMRAALECCHKGWGTSVIVGVAASGQEISTRPFQLVTGRVWKGTAFGGFKSRTQVPWLVEKYMNKEIKVDEYITHSMTLGEINKAFDLLHDGTCLRCVLSTSD,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.2676062401770316,,s_84f95f83bb86812659535cf8,test
catpreddb_km_km_80146a8cff4d92,catpred_iteration1_km,km,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.3010299956639813,,s_140aab011c2ec3f979562c0c,test
catpreddb_km_km_805c8c7d12e7f0,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_807268201418d9,catpred_iteration1_km,km,Q9ZS21,Q9ZS21,MAAEPKESPSNNPGLHTTPDEATKGYIMQQTMFRIKDPKVSLDFYSRVLGMSLLKRLDFPEMKFSLYFMGYENTAEAPSNPIDKVVWTFSQKATIELTHNWGTESDPEFKGYHNGNSEPRGFGHIGVTVDDTYKACERFQNLGVEFVKKPEDGKMKGIAFIKDPDGYWIEIFDRKTIGNVTQTAA,CC(=O)C(O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O,CC(=O)C(O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O,CC(=O)C(O)SC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_ca14e288fdf99ccf6b36bc00,test
catpreddb_km_km_80781d3ef360e8,catpred_iteration1_km,km,C9WCQ0,C9WCQ0,MAIQYFFLLLLVFSAVCSHGARHMPFSIINLDKNTGKSYKMFDEKDLTRNDFPKNFAFGTATSAFQIEGVTHRGFNIWDSFTHRYPEKSTDGSYGDIAADSYHLYKTDVKMMKDMGADAYRFSIAWSRILPNGRINGEINKEGIQYYKNLIDELLANDIEPFVTIFHWDVPQTLEDMYGGLLDRNFVSHYRDFANLCFKEFGDKVKYWITFNQPYSLGFNAYGKGEQAPGRCSSWMNKNCTGGDSGTEPYIVAYHELIAHAEVVQLYRREYKEIQRGHIGITLVANWFWPLTDTKADIDAAQRAQDFKLGWFLDPIMFGDYPASMKELVGKRLPQFAPWESELIKGSIDFIGLNYYFPLFAYNKPTPDPKKPSVLTDGRFGTIDNRDGVMIGINSTLFCYNATGFYDLLTYMRNKYNNPLIYITENGYADSSAISLNETLTDVGRIDYYQAHIAVLKQAIDEGSNIAGYFAWSLLDNYEFVQGFSVRFGLHYLDYKNPSDRRPKASALWFTDFLNPDSKEVA,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4502491083193609,,s_9246fe2dd98fb491aefe0b4d,test
catpreddb_km_km_807eb52012ec43,catpred_iteration1_km,km,Q8DQ16,Q8DQ16,MKIGIIAAMPEELAYLVQHLDNTQEQVVLGNTYHTGTIASHEVVLVESGIGKVMSAMSVAILADHFQVDALINTGSAGAVAEGIAVGDVVIADKLAYHDVDVTAFGYAYGQMAQQPLYFESDKTFVAQIQESLSQLDQNWHLGLIATGDSFVAGNDKIEAIKSHFPEVLAVEMEGAAIAQAAHTLNLPVLVIRAMSDNANHEANIFFDEFIIEAGRRSAQVLLAFLKALD,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_c7b28f8ba09847a017ee5c8c,test
catpreddb_km_km_808a5a6fe7ab0e,catpred_iteration1_km,km,Q9A1H8,Q9A1H8,MSTLKIAPSILAADYANFASELARIEETDAEYVHIDIMDGQFVPNISFGADVVASMRKHSKLVFDCHLMVVDPERYVEAFAQAGADIMTIHTESTRHIHGALQKIKAAGMKAGVVINPGTPATALEPLLDLVDQVLIMTVNPGFGGQAFIPECLEKVATVAKWRDEKGLSFDIEVDGGVDNKTIRACYEAGANVFVAGSYLFKASDLVSQVQTLRTALNV,O=C(CO)C(O)C(O)COP(=O)(O)O,O=C(CO)C(O)C(O)COP(=O)(O)O,O=C(CO)C(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_80ece044fa74b04200cdc4e2,test
catpreddb_km_km_809247adf5d322,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br,CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br,CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Br)Br>>,public_strict_iteration1_fulltrue_msa,,-3.1034737825104446,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_80925535bd1290,catpred_iteration1_km,km,S4UF58,S4UF58,MPLDLPSLLSQSSCDRPLSAIRGLLPLESRPGVISLLAGKPNPSGFPFDSITLRLKPSVEGSKDAQGNPVEITIDGSELERILQYGSTNGDVTLERELTKLISRVHHRTRNNGQPDGDFALAIGSGSQDLLYKTISILFNPQDTVLVESPVYPGFLPELETHRVKAVGISTDEQGLSAQALRDTLKNWHTSDTTKELRFPKALYTVPTGANPAGTTASTERKREILAIAREYGLLVLEDDPYYFLTFEDMSEDALQQKRALSYFALEREDADKWGYGYVLRFESFSKILSAGMRVGFMVGPPTLVNAVVALTASSNLHTSGPAQAMAGELMQYWGTDGFLRHTHNVARMYKERRDMFGRIIDTILGRGEDGKQTPIATYVTPVAGMFYWIKLHLPPTDGAPEGDSYRVISEKALEFGVLAMPGGAFFADKRKTPYVRTSFSLIEPQDAHEAILRLRRAVESAWKDAGYDEIPAMQT,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_ec7834c38c8370f00ef57014,test
catpreddb_km_km_809a0a4cb2cb3e,catpred_iteration1_km,km,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.5277586639249157,,s_85471f35fb7860385479be86,test
catpreddb_km_km_809feb5c2664d0,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_80b28b11aab46f,catpred_iteration1_km,km,O66548,O66548,MKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.0506099933550872,,s_029fee419a480a1fbf8f2568,test
catpreddb_km_km_80cc8510a280d1,catpred_iteration1_km,km,P27544,P27544,MAAAGPAAGPTGPEPMPSYAQLVQRGWGSALAAARGCTDCGWGLARRGLAEHAHLAPPELLLLALGALGWTALRSAATARLFRPLAKRCCLQPRDAAKMPESAWKFLFYLGSWSYSAYLLFGTDYPFFHDPPSVFYDWTPGMAVPRDIAAAYLLQGSFYGHSIYATLYMDTWRKDSVVMLLHHVVTLILIVSSYAFRYHNVGILVLFLHDISDVQLEFTKLNIYFKSRGGSYHRLHALAADLGCLSFGFSWFWFRLYWFPLKVLYATSHCSLRTVPDIPFYFFFNALLLLLTLMNLYWFLYIVAFAAKVLTGQVHELKDLREYDTAEAQSLKPSKAEKPLRNGLVKDKRF,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>,public_strict_iteration1_fulltrue_msa,,-2.6020599913279625,,s_ec4fd36c1b9c6ac8eadc712d,test
catpreddb_km_km_80db596d43d3ef,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_80ffc149ec4218,catpred_iteration1_km,km,P28594,P28594,MGSVLYSLSESANLYPASELFLRHRLQIVEELWESVLRQECGQNMVDLLRQLRDLCSPEGQATKDQAVSAVKLIEQLNINEAIRAARAFALYFQLINIIEQEYEQRQQLTRYSDLEAETAPLNGSENITSSSNHNEDDVIFNRGLGTDFLGKNWTNRGQGKQKGTFAALFPLLSKLNVPPQQIQRLISQLDVRLVFTAHPTEIVRHTIRDKQRQVVDLLQQLDEVENRAKDGGGYPWEAGEIREKLLEEIRLWWRTDELHQFKPTVLDEVDYALHYFQEVLFDGIPQLYKRFKYALNQTFSWLEPPSKDFCSFGSWVGSDRDGNPSVTPEITWQTACYQRKMVLERYIKSVTQLIELLSISMHWSDVLPDLLESLELDQSQLSEVYDALALRYRQEPYRLKLAYVLKRLENTRDRNLALYKGETPTNEDSPMYRSGSEFLAELRLIQHNLTETGLSCRELDNLICQVEIFDFNLTKLDIRQESTRHSDALNEILDYLQLLISSELPFSDKTNDVIKTFRVVRSLQQEFGINICQTYIISMCRQVSDVLEVLLLAKEARLFDPAIAVGTIQVVPLFETVEDLQRSRSVMRQLFELPLYRALLAGGYKNTEVKVPNTELTPQSPAPSPQSVLTPDLQEVMLGYSDSNKDSGFLSSNWEIHKAQKSLQQIAEEYGVNLRIFHGRGGSVGRGGGPAHEAILAQPGHSINGRIKITEQGEVLASKYSLLDLALYNLETITTAVIQASLLRTGFDDIEPWNEIMEELAARSRQHYRGLIYEQPDFIDFFHQVTPIEEISQLQISSRPARRPSGKKDLSSLRAIPWVFSWTQTRFLLPSWYGVGTALQEFFNEEPEEHLKLMRYFYVKWPFFKMVISKVEMTLAKVDMQMAGHYVQELSDPEDKPRFEKVFEQIANEYYLTRDLVLKITDHGRLLDGDPVLQRSVQLRNGTIVPLGFIQVSLLKRLRQSKNNTATSGVIHSRYSKGELLRGALLTINGIAAGMRNTG,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_0f2161f1bc4b54e5a37fdbb7,test
catpreddb_km_km_811cb15a9d309e,catpred_iteration1_km,km,Q84B24,Q84B24,MRLEIPNHTERFGVVRLHEVQRILELDSGRVRDESPAVGLRRLDDADLRDVLEQTAIVVPTRNERLKLLEGVLSGIPHEALILVASNSSPDRFQMERDLLEEFAHLTERPALIFHQKDPALAEALRAGGYPHPIGEDGLVRSGKAEGMILALVFAALSGRRYVGFIDADNYFPGAVWEYVRAYAAGFLMAKTPFAMVRILWRYKPKLTEDEGVVFRRYGRVSERNNRALNQLIGGVSGFETDVVKTANAGEHAMSLGLALRLPLASGYAVEPQELVSLLELYGGVFPLEDEEVLQHGVEIFQIETRNPHLHENKGDEHIRDMLLACLATVYHSKLATEEVRQSVLEELQAAGALAPGEEPPPPVLYPPLSSLDLQAVRKALRGHFSRFRVP,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_c3dd7556d64ce291120a1ce1,test
catpreddb_km_km_811fd216e0386b,catpred_iteration1_km,km,Q1DG84,Q1DG84,MPKRGGGGRGVTQKPSNRDVLPAGAESKDTELFFNRELSWMAFNDRVLQLAESPEIPLLERLKFIAIYARNLDEFFMIRVARLHEQIRGGVARLVPDGASPSDTLDKLHDGILKQTRRHGDAFEKVLRPALAEKGLRILSARNLDAEQRAQVDQRFKEQIFPVLTPLAIGLGRHFPYISNLSLSLAVLLRDPDADEESVARVKVPKELLPRFLPLKGNVFVPLEEIIAQHLGDLFPGMEVLSWGTFRVTRDADFTVSEDAEDLLKAVETELRERRFGDVIRMEVQAGMSPKLLEPLVEAMGLEARQVYEEHGLVGLNDLQSIAFAPGFPELKDPPWVPVTQARLRTDADAPDGGTVMSSMRRGDLLVHHPYESFATSVERFVTEAVADPDVLAIKQTVYRTSDSSPLVPALITATERGKQAVCMVELKARFDERTNIRWANALEEAGVHVVYGIPSLKTHAKAILIVRREGDKVRHYVHIGTGNYNPKTARLYTDMGLFTTDPDIGADVADVFNYLTGFGRPKSFRKLLVAPLTMRQGLLAEIKRTVAAHTAERPARIQMKMNALVDPGIIHALYEASRAGVKVELNVRGICCLRPGVPGVSENIRVVSVLGRFLEHSRIYIFERGPELRCFIGSADLMPRNLDHRVEILAPVEDASLAAQVKDSLERCMADTTSAWELTADGGWRRRLPRAGDEKRWAQGEMMERAQRMAQFQGGRPLP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4948500216800939,,s_882d5289fe179d9a2e6581ba,test
catpreddb_km_km_81384d5f55d688,catpred_iteration1_km,km,Q9Z0Z5,Q9Z0Z5,MAALAALAKKVWSARRLLVLLLVPLALLPILFALPPKEGRCLYVILLMAVYWCTEALPLSVTALLPIILFPFMGILPSSKVCPQYFLDTNFLFLSGLIMASAIEERNLHRRIALKVLMLVGVQPARLILGMMVTTSFLSMWLSNTASTAMMLPIASAILKSLFGQRDTRKDLPREGEDSTAAVRGNGLRTVPTEMQFLASSEGGHAEDVEAPLELPDDSKEEEHRRNIWKGFLISIPYSASIGGTATLTGTAPNLILLGQLKSFFPQCDVVNFGSWFIFAFPLMLLFLLVGWLWISFLYGGMSWRGWRKKNSKLQDVAEDKAKAVIQEEFQNLGPIKFAEQAVFILFCLFAILLFSRDPKFIPGWASLFAPGFVSDAVTGVAIVTILFFFPSQKPSLKWWFDFKAPNSETEPLLSWKKAQETVPWNIILLLGGGFAMAKGCEESGLSAWIGGQLHPLEHVPPLLAVLLITVVIAFFTEFASNTATIIIFLPVLAELAIRLHVHPLYLMIPGTVSCSYAFMLPVSTPPNSIAFSTGHLLVKDMVRTGLLMNLMGVLLLSLAMNTWAQAIFQLGTFPDWANTHAANVTALPPALTNNTVQTL,O=C(O)CCC(=O)O,O=C(O)CCC(=O)O,O=C(O)CCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_9b60f09b7d8a08c0c762afe6,test
catpreddb_km_km_8194be0138b91d,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_8194ecf9dac170,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,O=C(O)C(=O)CO,O=C(O)C(=O)CO,O=C(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,0.4712917110589386,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_81a696b4beddfc,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.8388490907372553,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_81f130ce6837a6,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.613001712064796,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_81f896b6249757,catpred_iteration1_km,km,Q9FYC2,Q9FYC2,MSVVLLSSTSATITKSQSKKIPFLSPTTKFPLKVSISPSRSKLFHNPLRVAAPPSVPTSDSTEEKRIEEEYGGDKEEEGSEFKWRDHWYPVSLVEDLDPNVPTPFQLLGRDLVLWFDRNDQKWAAFDDLCPHRLAPLSEGRLDENGHLQCSYHGWSFGGCGSCTRIPQAATSGPEARAVKSPRACAIKFPTMVSQGLLFVWPDENGWDRANSIEPPRLPDDFDKPEFSTVTIQRDLFYGYDTLMENVSDPSHIDFAHHKVTGRRDRAKPLPFKVESSGPWGFQGANDDSPRITAKFVAPCYSMNKIELDAKLPIVGNQKWVIWICSFNIPMAPGKTRSIVCSARNFFQFSVPGPAWWQVVPRWYEHWTSNLVYDGDMIVLQGQEKVFLAKSMESPDYDVNKQYTKLTFTPTQADRFVLAFRNWLRRHGKSQPEWFGSTPSNQPLPSTVLTKRQMLDRFDQHTQVCSSCKGAYNSFQILKKFLVGATVFWAATAGVPSDVQIRLVLAGLSLISAASAYALHEQEKNFVFRDYVHSEIE,C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C,C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_ce5c4f927e2e10ff1bfd891f,test
catpreddb_km_km_81ff2a4955578c,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-1.5528419686577808,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_82052918c0a9e6,catpred_iteration1_km,km,O15460,O15460,MKLWVSALLMAWFGVLSCVQAEFFTSIGHMTDLIYAEKELVQSLKEYILVEEAKLSKIKSWANKMEALTSKSAADAEGYLAHPVNAYKLVKRLNTDWPALEDLVLQDSAAGFIANLSVQRQFFPTDEDEIGAAKALMRLQDTYRLDPGTISRGELPGTKYQAMLSVDDCFGMGRSAYNEGDYYHTVLWMEQVLKQLDAGEEATTTKSQVLDYLSYAVFQLGDLHRALELTRRLLSLDPSHERAGGNLRYFEQLLEEEREKTLTNQTEAELATPEGIYERPVDYLPERDVYESLCRGEGVKLTPRRQKRLFCRYHHGNRAPQLLIAPFKEEDEWDSPHIVRYYDVMSDEEIERIKEIAKPKLARATVRDPKTGVLTVASYRVSKSSWLEEDDDPVVARVNRRMQHITGLTVKTAELLQVANYGVGGQYEPHFDFSRNDERDTFKHLGTGNRVATFLNYMSDVEAGGATVFPDLGAAIWPKKGTAVFWYNLLRSGEGDYRTRHAACPVLVGCKWVSNKWFHERGQEFLRPCGSTEVD,N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1,N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1,N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1>>,public_strict_iteration1_fulltrue_msa,,-1.0222763947111522,,s_eb720b10ca28b34c7bc7c7ea,test
catpreddb_km_km_820ca1cbf4f6c1,catpred_iteration1_km,km,Q9S795,Q9S795,MAIPMPTRQLFIDGEWREPILKKRIPIVNPATEEVIGDIPAATTEDVDVAVNAARRALSRNKGKDWAKAPGAVRAKYLRAIAAKVNERKTDLAKLEALDCGKPLDEAVWDMDDVAGCFEFYADLAEGLDAKQKAPVSLPMESFKSYVLKQPLGVVGLITPWNYPLLMAVWKVAPSLAAGCTAILKPSELASVTCLELADICREVGLPPGVLNVLTGFGSEAGAPLASHPGVDKIAFTGSFATGSKVMTAAAQLVKPVSMELGGKSPLIVFDDVDLDKAAEWALFGCFWTNGQICSATSRLLVHESIASEFIEKLVKWSKNIKISDPMEEGCRLGPVVSKGQYEKILKFISTAKSEGATILHGGSRPEHLEKGFFIEPTIITDVTTSMQIWREEVFGPVLCVKTFASEDEAIELANDSHYGLGAAVISNDTERCDRISEAFEAGIVWINCSQPCFTQAPWGGVKRSGFGRELGEWGLDNYLSVKQVTLYTSNDPWGWYKSPN,NCCCC=O,NCCCC=O,NCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-1.8416375079047504,,s_c6badf741a6ac9e541eb699e,test
catpreddb_km_km_823c17fb9896aa,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O,COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O,COc1cc(/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_823e6d832541df,catpred_iteration1_km,km,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(C=CC=O)cc(OC)c1O,COc1cc(C=CC=O)cc(OC)c1O,COc1cc(C=CC=O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.6819366650372385,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_km_km_82463ed5ee6849,catpred_iteration1_km,km,Q9SRQ2,Q9SRQ2,MDHQVSLPQSTTTGLSFKVHRQQRELVTPAKPTPRELKPLSDIDDQQGLRFQIPVIFFYRPNLSSDLDPVQVIKKALADALVYYYPFAGRLRELSNRKLAVDCTGEGVLFIEAEADVALAELEEADALLPPFPFLEELLFDVEGSSDVLNTPLLLVQVTRLKCCGFIFALRFNHTMTDGAGLSLFLKSLCELACGLHAPSVPPVWNRHLLTVSASEARVTHTHREYDDQVGIDVVATGHPLVSRSFFFRAEEISAIRKLLPPDLHNTSFEALSSFLWRCRTIALNPDPNTEMRLTCIINSRSKLRNPPLEPGYYGNVFVIPAAIATARDLIEKPLEFALRLIQETKSSVTEDYVRSVTALMATRGRPMFVASGNYIISDLRHFDLGKIDFGPWGKPVYGGTAKAGIALFPGVSFYVPFKNKKGETGTVVAISLPVRAMETFVAELNGVLNVSKG,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7713895751246451,,s_923e9138be0b9931b031104a,test
catpreddb_km_km_824df0809bce91,catpred_iteration1_km,km,Q837E1,Q837E1,MIEVTTPGKLFIAGEYAVVEPGHPAIIVAVDQFVTVTVEETTDEGSIQSAQYSSLPIRWTRRNGELVLDIRENPFHYVLAAIHLTEKYAQEQNKELSFYHLKVTSELDSSNGRKYGLGSSGAVTVGTVKALNIFYDLGLENEEIFKLSALAHLAVQGNGSCGDIAASCYGGWIAFSTFDHDWVNQKVATETLTDLLAMDWPELMIFPLKVPKQLRLLIGWTGSPASTSDLVDRVHQSKEEKQAAYEQFLMKSRLCVETMINGFNTGKISVIQKQITKNRQLLAELSSLTGVVIETEALKNLCDLAESYTGAAKSSGAGGGDCGIVIFRQKSGILPLMTAWEKDGITPLPLHVYTYGQKECKEKHESKR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_ed6cf9a6ff1cd3608fbc3bfa,test
catpreddb_km_km_8265c9051e412f,catpred_iteration1_km,km,P16303,P16303,MRLYPLVWLFLAACTAWGYPSSPPVVNTVKGKVLGKYVNLEGFAQPVAVFLGIPFAKPPLGSLRFAPPQPAEPWNFVKNTTSYPPMCSQDAVGGQVLSELFTNRKENIPLQFSEDCLYLNVYTPADLTKNSRLPVMVWIHGGGLVVGGASTYDGQVLSAHENVVVVTIQYRLGIWGFFSTGDEHSQGNWGHLDQVAALHWVQDNIANFGGNPGSVTIFGESAGGFSVSALVLSPLAKNLFHRAISESGVVLTSALITTDSKPIANLIATLSGCKTTTSAVMVHCLRQKTEDELLETSLKLNLFKLDLLGNPKESYPFLPTVIDGVVLPKTPEEILAEKSFNTVPYIVGINKQEFGWIIPTLMGYPLSEGKLDQKTAKSLLWKSYPTLKISEKMIPVVAEKYFGGTDDPAKRKDLFQDLVADVMFGVPSVMVSRSHRDAGAPTFMYEFEYRPSFVSAMRPKTVIGDHGDELFSVFGSPFLKDGASEEETNLSKMVMKYWANFARNGNPNGGGLPHWPEYDQKEGYLKIGASTQAAQRLKDKEVAFWSELRAKEAAEEPSHWKHVEL,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,-0.2679788972805946,,s_7e31156bec58f136315549ae,test
catpreddb_km_km_826f51755390df,catpred_iteration1_km,km,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,NCC(=O)O,NCC(=O)O,NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2549252084179425,,s_08e94d00e198158ed1db5b76,test
catpreddb_km_km_828db7c2b58cd0,catpred_iteration1_km,km,Q9Y5Y6,Q9Y5Y6,MGSDRARKGGGGPKDFGAGLKYNSRHEKVNGLEEGVEFLPVNNVKKVEKHGPGRWVVLAAVLIGLLLVLLGIGFLVWHLQYRDVRVQKVFNGYMRITNENFVDAYENSNSTEFVSLASKVKDALKLLYSGVPFLGPYHKESAVTAFSEGSVIAYYWSEFSIPQHLVEEAERVMAEERVVMLPPRARSLKSFVVTSVVAFPTDSKTVQRTQDNSCSFGLHARGVELMRFTTPGFPDSPYPAHARCQWALRGDADSVLSLTFRSFDLASCDERGSDLVTVYNTLSPMEPHALVQLCGTYPPSYNLTFHSSQNVLLITLITNTERRHPGFEATFFQLPRMSSCGGRLRKAQGTFNSPYYPGHYPPNIDCTWNIEVPNNQHVKVRFKFFYLLEPGVPAGTCPKDYVEINGEKYCGERSQFVVTSNSNKITVRFHSDQSYTDTGFLAEYLSYDSSDPCPGQFTCRTGRCIRKELRCDGWADCTDHSDELNCSCDAGHQFTCKNKFCKPLFWVCDSVNDCGDNSDEQGCSCPAQTFRCSNGKCLSKSQQCNGKDDCGDGSDEASCPKVNVVTCTKHTYRCLNGLCLSKGNPECDGKEDCSDGSDEKDCDCGLRSFTRQARVVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPICLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV,CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,CCC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.4122890349810886,,s_b263b22b3360761991316e48,test
catpreddb_km_km_828fde54abdd9d,catpred_iteration1_km,km,Q6GGG1,Q6GGG1,MNHDKSPIILIGFMGTGKSTIGKYVADEQNLSFIDIDSYIEEKYKLTIPEIFSKHGEQYFRNLEFTCLQECINTADIIATGGGIIESEEVFNFLKNQKNIIWLDCNIDIIYSRINDDPHRPNANNKTIKQLNDLYCSRILRYNEIAFKKFDSHLLSISEIYYELLNLIKASDQY,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-3.8153085691824016,,s_21980016cad5d90ce4854db8,test
catpreddb_km_km_82b24475835c53,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_82b744d9ec76aa,catpred_iteration1_km,km,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2600713879850748,,s_23a07e04da444562badc1284,test
catpreddb_km_km_82c99786d2485b,catpred_iteration1_km,km,A4URQ8,A4URQ8,MRFSLPTTACALAVSLAFAPGWAAAWEKDKTYDITILHTNDHHGHFWQNDHGEYGLAAQKTVVDNIRKQVAAEGGSLLLLSGGDINTGVPESDLQDAEPDFRGMNLVGYDAMAIGNHEFDNPLSVLRQQEKWATFPLLSANIYQKSTQQRLFKPYALFDKQGVKIAVIGLTTDDTAKIGNPEYFTDIEFHVPAVEAKQVVDQLRKTDKPDIIIAATHMGHYDDGKHGSNAPGDVEMARSLPAGYLDMIVGGHSQDPVCMASENHKQADYVPGTPCAPDRQNGTWIVQAHEWGKYVGRADFKFRNGELKLVSYQLIPINLKKKVEKADGTSERVFYTQEIAQDPSMLKLLTPFEEQGKAQLDIKVGSVNGKLEGDRSKVRFEQTNLARVLLAAQMERAGADFAVMSGGGVRDSIDAGDITYKNVLKVQPFGNTLVYADMKGSEIEKYLAVVANKKVDSGAYAQFANVSLVADGNGVSDVKIQGKPLDPNKTYRLATLNFNALGGDGYPKIDTLPGYVNTGFIDAEVLKQYIEKHSPLDASQYQPKGEIVYK,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.017728766960432,,s_33845bf969156f9b6c584bd9,test
catpreddb_km_km_82dfbac864f508,catpred_iteration1_km,km,F4K884,F4K884,MEILPIPAESFKVGFIGAGKMAESIARGVVASGVLPPNRICTAVHSNLNRRDVFESFGVNVFSTSEEVVKESDVVIFSVKPQVVKKAVTELKSKLSKNKILVSVAAGIKLNDLQEWSGQDRFIRVMPNTPAAVGEAASVMSLGTGATEEDGAIVAMLFGAVGKILKADEKMFDAVTGLSGSGPAYIFLAIEALADGGVAAGLPRELALSLASQTVSSWSCNDG,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_dccddde99b377b3d9911cbaa,test
catpreddb_km_km_82f306d72ddd2f,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,C[C@H](Cl)C(=O)[O-].[Na+],C[C@H](Cl)C(=O)[O-].[Na+],C[C@H](Cl)C(=O)[O-].[Na+]>>,public_strict_iteration1_fulltrue_msa,,-0.1191864077192085,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_82f37229da340f,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1,Nc1ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_82f8a26df8806f,catpred_iteration1_km,km,D4N3A0,D4N3A0,MASFNRFCVSSLLAPNNSPQISNAPRSTAVPSMPTTQKWSITEDLAFISNPSKQHNHQTGYRIFSDEFYLKHENKLKDVRRALREVEETPLEGLVMIDTLQRLGIDYHFQGEIGALLQKQQRISTCDYPEHDLFEVSTRFRLLRQEGHNVPADVFNNFRDKEGRFKSELSRDIRGLMSLYEASQLSIQGEDILDQAADFSSQLLSGWATNLDHHQARLVRNALTHPYHKSLATFMARNFNYDCKGQNGWVNNLQELAKMDLTMVQSMHQKEVLQVSQWWKGRGLANELKLVRNQPLKWYMWPMAALTDPRFSEERVELTKPISFIYIIDDIFDVYGTLEELTLFTDAVNRWELTAVEQLPDYMKICFKALYDITNEIAYKIYKKHGRNPIDSLRRTWASLCNAFLEEAKWFASGNLPKAEEYLKNGIISSGMHVVTVHMFFLLGGCFTEESVNLVDEHAGITSSIATILRLSDDLGSAKDEDQDGYDGSYLECYLKDHKGSSVENAREEVIRMISDAWKRLNEECLFPNPFSATFRKGSLNIARMVPLMYSYDDNHNLPILEEHMKTMLYDSSS,[Mg+2],[Mg+2],[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,-0.4609239012072233,,s_0e2e8568a29953235c8ab9bd,test
catpreddb_km_km_83018e416403ae,catpred_iteration1_km,km,Q8KZT3,Q8KZT3,MPLITTETGKKMHVLEDGRKLITVIPGDGVGPECVEATLKVLEAAKAPLAYEVREAGASVFRRGIASGVPQETIESIRKTRVVLKGPLETPVGYGEKSANVTLRKLFETYANVRPVREFPNVPTPYAGRGIDLVVVRENVEDLYAGIEHMQTPSVAQTLKLISWKGSEKIVRFAFELARAEGRKKVHCATKSNIMKLAEGTLKRAFEQVAQEYPDIEAVHIIVDNAAHQLVKRPEQFEVIVTTNMNGDILSDLTSGLIGGLGFAPSANIGNEVAIFEAVHGSAPKYAGKNVINPTAVLLSAVMMLRYLEEFATADLIENALLYTLEEGRVLTGDVVGYDRGAKTTEYTEAIIQNLGKTPRKTQVRGYKPFRLPQVDGAIAPIVPRSRRVVGVDVFVETNLLPEALGKALEDLAAGTPFRLKMISNRGTQVYPPTGGLTDLVDHYRCRFLYTGEGEAKDPEILDLVSRVASRFRWMHLEKLQEFDGEPGFTKAQGED,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1739251972991736,,s_3c7f8e07386ae675c0ef0fed,test
catpreddb_km_km_831614df2f1bc3,catpred_iteration1_km,km,Q2KIN2,Q2KIN2,MTAGRLYLRLLRAPSKFMVQRLLEGVPPSRGLHAGRGPRRLSVEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNVLAAGSQKAGAATSLGNLLDMMYQEPARWSYTFQTFSFLSRLKVQLEPFPEKLLAVGRAVQIFERSVYSDRYIFAKTLFENGSLSDIEWHIYQDWHYFLLQEFASRLRLHGFIYLQAAPQVCLKRLQRRARQEEKEVELAYLEQLHGQHEAWLVHKTTPLHSEALLNIPVLVLDVNDDFSEEVTIQEELMRRVNTFVKNL,Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1,Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1,Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_7bedb8ca227493a3a288bf3a,test
catpreddb_km_km_834ac104d1352e,catpred_iteration1_km,km,Q6WNR0,Q6WNR0,MGILSYLCYSLFYLSIFFIIRLLFQSRKFKNLPPGPTSLPIIGNLHHLKRPLNRTFKALTEKYGNVISLWFGSRLVVVVSSLSEFQECFTKNDVVLANRPRFLSGKYIFYNYTTLGSTSYGEHWRNLRRITSLDVLSNHRINNFAPIRRDETQRLIKKLAEDSSTKFAEVELTFRFFDMTFNNIMRMISGKRYYGDDCDISEVQEASQFRDMVSELLQLSGANNKTDFMPLLKFLDFENLEKRVKRIGEKNDVFLSGLLQEQRSKKERTNTMIDHLLNMQESQPEYYTDTIIKGLCLAMLLAGTDSSAVTLEWTMSNILNYPEVLKKVRDEVDTHVGQDRLVDESDLPKLTYLRNVIYETLRLYTPAPLLLPHSTADECIMGGYKVPRDTIVLINAWAIHRDPETWSEATTFKPERFDKKGELEKMIAFGMGRRACPGEGLALRAISMTLALLVQCFDWKRINDEKIDMSERDGFTMTKLLPLKAMCKTRPVVNKVFK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-3.769551078621726,,s_bacc29394cd254b63d714887,test
catpreddb_km_km_8369d316b84d36,catpred_iteration1_km,km,A0A165SC98,A0A165SC98,MKGKLKLFLAVGAISVIVAGCANANSQNGMKGTDQPKMNMGDSQQNTSQNKEQSGDMKLTQATPVADGKEFTITAQASNLKVSDDVTLPVWTFNNSVPGPQIRVKVGDTVKVKLKNELEEPVSIHWHGYPVPNNMDGIPGVTQDAVAAGKEFTYEFKATVPGTYWYHSHQDSVNQLDKGLYGTLIVEDPSESYDRDYTIVLDEWMSSGEMDMSNNEDMEGMDHSQMDMGDTSNNEDMQGMDHSQMDMGNTSNNEDMEGMDHSQMDMGDTSNMTEMAGHDMSMYDVYTMNGKTGDAIDKLTVKKGDKVRIRLVNAGYITHTIHLHGHEFKVIASDGQPVNSPAVITDQGIAIAPGERYDLEFTANNPGSWLLEEHGKEDRVKNMRAVIEYEGVPDRPDASNANEELPTFDLTKYGQQARTNFSLDQKFDQDVKLDLNTEMKAGEMVYTINGKLFPDTDPIKVDKGDKVKVTFVNNSKTDDHPMHLHGHFFQVLSKNGKPLEGTPVIKDTLNVKPGEEYVVAFEADNPGDWMFHCHDLHHASAGMVTDVMYNGYNSNYTPDPTVGNKPE,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.9037854146535949,,s_e65e1a798563d1746dac7cca,test
catpreddb_km_km_83867628dd7956,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,O=C(O)C1=CC(O)C(O)C(O)C1,O=C(O)C1=CC(O)C(O)C(O)C1,O=C(O)C1=CC(O)C(O)C(O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.1249387366082999,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_83ab7941359990,catpred_iteration1_km,km,P11411,P11411,MVSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRIDHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.0,,s_ca12606c68c0ecf0c21c0eeb,test
catpreddb_km_km_83b8b4c381cb95,catpred_iteration1_km,km,Q9SRQ2,Q9SRQ2,MDHQVSLPQSTTTGLSFKVHRQQRELVTPAKPTPRELKPLSDIDDQQGLRFQIPVIFFYRPNLSSDLDPVQVIKKALADALVYYYPFAGRLRELSNRKLAVDCTGEGVLFIEAEADVALAELEEADALLPPFPFLEELLFDVEGSSDVLNTPLLLVQVTRLKCCGFIFALRFNHTMTDGAGLSLFLKSLCELACGLHAPSVPPVWNRHLLTVSASEARVTHTHREYDDQVGIDVVATGHPLVSRSFFFRAEEISAIRKLLPPDLHNTSFEALSSFLWRCRTIALNPDPNTEMRLTCIINSRSKLRNPPLEPGYYGNVFVIPAAIATARDLIEKPLEFALRLIQETKSSVTEDYVRSVTALMATRGRPMFVASGNYIISDLRHFDLGKIDFGPWGKPVYGGTAKAGIALFPGVSFYVPFKNKKGETGTVVAISLPVRAMETFVAELNGVLNVSKG,CCCCCCCCO,CCCCCCCCO,CCCCCCCCO>>,public_strict_iteration1_fulltrue_msa,,-0.7594507517174003,,s_923e9138be0b9931b031104a,test
catpreddb_km_km_83c72e1cc139e1,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CC=O,CC=O,CC=O>>,public_strict_iteration1_fulltrue_msa,,1.0017302660547531,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_83d6b3ba175ada,catpred_iteration1_km,km,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,O=C1Nc2ccccc2C1=O,O=C1Nc2ccccc2C1=O,O=C1Nc2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.169575932693281,,s_2764a837703abb2f4c81a0d2,test
catpreddb_km_km_83e2bfdda5c580,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3223930472795068,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_83fcf696818f96,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1>>,public_strict_iteration1_fulltrue_msa,,-1.5381716287932106,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_84116b5c2a3ccc,catpred_iteration1_km,km,P00376,P00376,MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN,Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1,Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1,Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.368556230986828,,s_5782e3570fd8e47d095ef392,test
catpreddb_km_km_84397361c0f297,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCc1cccnc1,NCc1cccnc1,NCc1cccnc1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_8441e7a3d65590,catpred_iteration1_km,km,A2RU49,A2RU49,MSSGNYQQSEALSKPTFSEEQASALVESVFGLKVSKVRPLPSYDDQNFHVYVSKTKDGPTEYVLKISNTKASKNPDLIEVQNHIIMFLKAAGFPTASVCHTKGDNTASLVSVDSGSEIKSYLVRLLTYLPGRPIAELPVSPQLLYEIGKLAAKLDKTLQRFHHPKLSSLHRENFIWNLKNVPLLEKYLYALGQNRNREIVEHVIHLFKEEVMTKLSHFRECINHGDLNDHNILIESSKSASGNAEYQVSGILDFGDMSYGYYVFEVAITIMYMMIESKSPIQVGGHVLAGFESITPLTAVEKGALFLLVCSRFCQSLVMAAYSCQLYPENKDYLMVTAKTGWKHLQQMFDMGQKAVEEIWFETAKSYESGISM,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.4559319556497243,,s_dd249254cd4a1f1e10d048d7,test
catpreddb_km_km_84472ec599a782,catpred_iteration1_km,km,B0JFD4,B0JFD4,MLRRSVLCAVQHKQLWQRQRSMSSLLCSKALIDGKWVSALSGDTFEVKNPANGKVIGSVPNMNEKDAQMAITAARNAFYSEEWTSLTAKQRSQLLKNWYHLIEKHTQEIAEIMTAESGKPIIESKAEVFYGNAFMEWFAEEARRIYGEIVPTPVPNRELIVMKQPLGVAALITPWNFPLAMITRKAGAALAAGCTVVIKPAEDTPFTALAVAKLAEEAGIPKGVVNVVTSNKAPPIGELFCKSPDVQGISFTGSTEVGKILFRQSADGIKRVSLELGGNAPFIVFDSANLEKAVDGAMASKFRNCGQTCVSSNRFFVQEGIYDKFVAALKERVEALKIGPGDKDTTQVGPLVNAMQFNKVSGFVEDARSKNAEILCGGKPLKELGDLFYAPTVVTNIPPNAKIYTEEVFGPVVSIIKFSTEEEALAKANESRRGLAGYFYSDNIQQIFRVAKRLEVGMVGVNEGLISAAEAPFGGIKESGIGREGSHHGIDEYTEVKYICIGNLKYN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2580609222708011,,s_f4328dd84240d18560a03152,test
catpreddb_km_km_845f774291e22f,catpred_iteration1_km,km,Q9GRG7,Q9GRG7,MQNCRKVADTLRKDSCDIIPDAAAPELKERALTIVVLGASGDLARNKTFPALFQLFCNGLIPRTINIVGYARTKMPDVEQWKKESLAKHFPRAKDRCPHIEAFLKTITYISGSYDGADDFFRLNDVITKFEESFPGKQKGGNRLFYLALPPSVFMHACTGIRTHVMQKPGLGWVRIIIEKPFGHDTESSNELSRQLEPLFEESQIFRIDHYLGKEMVQNIVVTRFANRVFSALWNNNNIACVRITFKESIGTEGRGGYFDKAGIIRDVVQNHLTQILSLLAMEKPRSLSPEDIRDEKVIVLRHVNPVTPADCVLGQYTRSEDGSIPGYLEDPTVPRGSKCATFVVLRLFINNDRWDGVPFIIEAGKAVERRYLGIRIQFKDEIRPFGVAAQRNELIIRAQPSEAMYLRLTAKTPGVLSDTHQTELDLSYEHRYNITLPDAYESLIHEALLGRSTNFVRKDELDAAWRIYTPLLEAIERGETTTYPYSAGSKGPAEAQKFVDDTGFKPLTGDIYQQRKLHHL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.1512981383997563,,s_8fdb1623c0a089b347a05ba5,test
catpreddb_km_km_847273293ed7f8,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@H](C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.657577319177794,,s_955f208818110e17c458234b,test
catpreddb_km_km_848664b7749d57,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.4225354133923438,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_848b46ab6bb8e1,catpred_iteration1_km,km,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=P(O)(O)OCC1OC(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.2201080880400552,,s_c914da2418e4f7c204592eba,test
catpreddb_km_km_849b19d8e76877,catpred_iteration1_km,km,O54161,O54161,MHRGSLSRGHTSAVLAAVVAALAALAALLVATTPAQAAGSGALRGAGSNRCLDVLGGSQDDGALLQLYDCWGGTNQQWTSTDTGRLTVYGDKCLDVPGHATAPGTRVQIWSCSGGANQQWRVNSDGTVVGVESGLCLEAAGAGTANGTAVQLWTCNGGGNQKWTGLTGTPPTDGTCALPSTYRWSSTGVLAQPKSGWVALKDFTTVTHNGRHLVYGSTSSGSSYGSMVFSPFTNWSDMASAGQNAMNQAAVAPTLFYFAPKNIWVLAYQWGSWPFIYRTSSDPTDPNGWSAPQPLFTGSISGSDTGPIDQTLIADGQNMYLFFAGDNGKIYRASMPIGNFPGNFGSSYTTIMSDTKANLFEGVQVYKVQGQNQYLMIVEAMGANGRYFRSFTASSLSGSWTPQAASEGNPFAGKANSGATWTNDISHGDLVRDNPDQTMTVDPCNLQFLYQGKSPNAGGDYNSLPWRPGVLTLRR,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_d831cc5434b44bf87e5617e8,test
catpreddb_km_km_849b640cebc9de,catpred_iteration1_km,km,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_km_km_84a6fd3be72d8d,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,NC(CS)C(=O)O,NC(CS)C(=O)O,NC(CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3617278360175928,,s_482422f32efc21500360d70c,test
catpreddb_km_km_84ecfe5adc270c,catpred_iteration1_km,km,B5ARZ9,B5ARZ9,MNLKNLIIYEAFARAYPGEKGKKFLSLEKDLERLKGMGINTVWLMPIHPTGVEGRKGTLGSPYAIRDYYEIDLLIGTKGDFKKFVKRAHELNMYVLMDMVLNHAAVDNVLVKKHPEWFLRDENGNPTRKVPDWSDVVDFDYSNGELREYMINMMRYWVEEFDVDGFRCDVAGLVPLDFWLQARKNLDPVKRLIWISETHDPYMYQAFDITYDYDGYYRFRDFIEGKNSLREYIDFLRMQDHMYPRGYIKMRFLENHDQPRVAKFLSRESLMHWIAFLFTVKGVPLVHNGQEYALKEDLDIFNEYTLPIPGEENEIFSLHRKLAHYRYKTNVFSNGEMIFIRNDQPERVISYLWRHGNRFILCVLNPLLENTSVTLDFSGIWENICIHSKNVFNDDIVRVSVKNSRAKIKVGREPLILSFVLY,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2278867046136735,,s_c2ee9fcdf9a067adb2bd36a5,test
catpreddb_km_km_84ee603617219a,catpred_iteration1_km,km,Q29461,Q29461,MIRALLLSTLVAGALSCGVPTYPPQLSRVVGGEDARPNSWPWQVSLQYSSSGQWRHTCGGSLIEQNWVLTAAHCISSSRTYRVVVGRQSLSTVESGSLTIAVSKSVIHEKWNSNQLAQGNDIALLKLASSVPLTDKIQLGCLPAAGTILPNNYVCYVTGWGRLQSNGALPDILQQGKLLVVDYATCSNPSWWGSTVKTNMICAGGDGVTSSCNGDSGGPLNCQAANRQWQVHGIVSFGSSLGCNYYRKPSVFTRVSNYNDWISSVIENN,CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=N)O)[C@@H](C)CC)C(C)C,CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=N)O)[C@@H](C)CC)C(C)C,CC[C@H](C)[C@H](N=C(O)CN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=N)O)[C@@H](C)CC)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.0809219076239263,,s_35e7a4e247fbe406f6821b0a,test
catpreddb_km_km_84f7255f460404,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,NCC(=O)O,NCC(=O)O,NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.6031443726201824,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_850ccce3ee0eaf,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.0241088635982072,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_851575b464b0f1,catpred_iteration1_km,km,P22734,P22734,MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS,CNCC(O)c1ccc(O)c(O)c1,CNCC(O)c1ccc(O)c(O)c1,CNCC(O)c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.5794454577659232,,s_6090164565ad94333335d06f,test
catpreddb_km_km_85200e640234c4,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4698003017969178,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_853021a466d3b2,catpred_iteration1_km,km,Q9XFX4,Q9XFX4,MGTPIKASLLALFLFFLLSPTAFSVSNGGLLRVGLKKRKVDRLDQLRAHGVHMLGNARKDFGFRRTLSDSGSGIVALTNDRDTAYYGEIGIGTPPQNFAVIFDTGSSDLWVPSTKCDTSLACVIHPRYDSGDSSTYKGNGTTASIQYGTGAIVGFYSQDSVEVGDLVVEHQDFIETTEEDDTVFLKSEFDGILGLGFQEISAGKAVPVWYNMVNQGLVEEAVFSFWLNRNVDEEEGGELVFGGVDPNHFRGNHTYVPVTRKGYWQFEMGDVLIGDKSSGFCAGGCAAIADSGTSFFAGPTAIITQINQAIGAKGVLNQQCKTLVGQYGKNMIQMLTSEVQPDKICSHMKLCTFDGAHDVRSMIESVVDKNNDKSSGGEICTFCEMALVRMQNEIKRNETEDNIINHVNEVCDQLPTSSAESIVDCNGISSMPNIAFTIGSKLFEVTPEQYIYKVGEGEAATCISGFTALDIMSPQGPIWILGDMFMGPYHTVFDYGKLRVGFAEAV,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_494edfccab5df5c67645574b,test
catpreddb_km_km_8538cc97947a88,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1cc(O)cc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1cc(O)cc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1cc(O)cc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_8544fb021e94e3,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_8546e45e0b9a95,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-2.0315170514460648,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_85474ae1d21df1,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O,CCN1CCN(C(=O)NC(C(=O)NC2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CSC23)c2ccc(O)cc2)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_855a15a65b9a87,catpred_iteration1_km,km,Q9WY06,Q9WY06,MKKLTVYLATTNPHKVEEIKMIAPEWMEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFMEEHSYKEKMRTILKMLEGKDRRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDPFFIPDGYDKTFGEIPHLKEKISHRSKAFRKLFSVLEKILESENR,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3653603051140507,,s_6bd796007fbd75e266556426,test
catpreddb_km_km_8566e36d52e676,catpred_iteration1_km,km,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,OC/C=C/c1ccccc1,OC/C=C/c1ccccc1,OC/C=C/c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3098039199714864,,s_f2bb212131b83045ca25164e,test
catpreddb_km_km_857b059fc3fb61,catpred_iteration1_km,km,P29804,P29804,GKMLAAVSRVLSGVAQKPASRVLVASRTFANDATFEIKKCDLHRLEEGPPVTTVLTREDGLKYYRMMQTVRRMELKADQLYKQKIIRGFCHLCDGQEACCVGLEAGINPTDHLITAYRAHGFTFTRGLSVREILAELTGRRGGCGKGKGGSMHMYAKNFYGGNGIVGAQVPLGAGIALACKYNGKDEVCLTLYGDGAANQGQIFEAYNMAALWKLPCVFICENNRYGMGTSVERAAASTDYYKRGDFIPGLRVDGMDILCVREATRFAAAYCRSGKGPILMELQTYRYHGHSMSDPGVSYRTREEIQEVRSKSDPIMLLKDRMVNSNLASVEELKEIDVEVRKEIEDAAQFATADPEPPLEELGYHIYCNDPPFEVRGANQWIKFKSIS,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4587868495696141,,s_b1bb4555b0f958100a00cd82,test
catpreddb_km_km_857d1b7f2173f4,catpred_iteration1_km,km,Q97U94,Q97U94,MIWIEDENGNKYQCDSNGNCENLAIVKVNTKEYNNDGKIYSIEGKSFVKLSKFPITLKLNLKADQILSLTTQQIYSEVYGKAFTYYNQLAIDMEPVTEPPKELKYDIKSLDHEKYIRTYPCWLYPVFNNIPDYTVFALVKSGNSYEAFFTLSNNYVTAYLFGDSVRLYTGFNTDEIKRSYFLSIGTSDNPYKAIENAINIASKETFTFKLRKEKGFPDKVMNGLGWCSWNAFLTKDLNEENLIKVVKGIIERGLRLNWVIIDDGWQDQNNDRAIRSLNPDNKKFPNGFKNTVRAIKSLGVKYVGLWHAINAHWGGMSQELMKSLNVNGYFTNFLNSYVPSPNLEDAIGFYKAFDGNILRDFDLVKVDNQWVIHAIYDSFPIGLASRNIQIALQYSVGKDVINCMSMNPENYCNYFYSNVMRNSIDYVPFWKDGTKLHIMFNAYNSLLTSHIVYPDYDMFMSYDPYAKVHLVARVFSGGPIYITDRHPERTNIELLRMAVLPNGEVIRVDEPALITEDLLFKDPLRERVLLKLKGKVKGYNAIAFFNLNSGEVEEEYNNNEDYYYYKVFSGEFGVGKFNVKLRELDAEVVITFPKSNRVIGLREYILPPFTVIVSDNVVIPKADGTLLYVKDTELNEVKAREGIPVTIE,O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)C(O)C2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)C(O)C2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2OC[C@H](O)C(O)C2O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.5728716022004805,,s_71c2ba37809081a077823ddf,test
catpreddb_km_km_85a82508ed14ed,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_85b4cb42b29f2b,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.358388750720998,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_85c1983aef5033,catpred_iteration1_km,km,Q70KH9,Q70KH9,MREEQPHLATTWAARGWVEEEGIGSATLGRLVRAWPRRAAVVNKADILDEWADYDTLVPDYPLEIVPFAEHPLFLAAEPHQRQRVLTGMWIGYNERVIATEQLIAEPAFDLVMHGVFPGSDDPLIRKSVQQAIVDESFHTYMHMLAIDRTRELRKISERPPQPELVTYRRLRRVLADMPEQWERDIAVLVWGAVAETCINALLALLARDATIQPMHSLITTLHLRDETAHGSIVVEVVRELYARMNEQQRRALVRCLPIALEAFAEQDLSALLLELNAAGIRGAEEIVGDLRSTAGGTRLVRDFSGARKMVEQLGLDDAVDFDFPERPDWSPHTPR,Nc1ccc(C(=O)[O-])cc1,Nc1ccc(C(=O)[O-])cc1,Nc1ccc(C(=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-2.283996656365201,,s_13bc45196f495dd2c389ea29,test
catpreddb_km_km_85c3772ea625ae,catpred_iteration1_km,km,A4V929,A4V929,MNITIIGSGPAGVYSAIVSAKLGNKVKLVEKNDKLGGTCVLYGCIPSKAMLHPLFLKYLAEETGKKLNFSFSEIQKKLQKNVVNRLSKGVEYMLESYGIEVIHGKAQLKGGNIQVGGQTIPSVKIIVATGTEKPQIEGTIASDDLPYLDKEFSKVLVIGGGAGGVEYAWLLKMSGKDVSIVEKSDSLLPYLDEDLKKAVSAYFKKIGIKLYLSSEITLGDKPRIGNEELPQPDIILYTFGRKPALDGFEELPHEKWIKVDKRMYTGVNNIYAAGDITGTFTAHEAIHEGFIAGLNASGVEKYYNPEAVPKVIYTEPQIAYVGNTKGKCVKINMAEIPRAIAEGLTEGFLKVCTEGKKITGAVAFSHDAENIITLISMFINYGIEIDKAIDFIEPHPSYLEAVFEALLRLNS,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.5016894462104,,s_d9a1cc84bf8d687ec7e38e60,test
catpreddb_km_km_85c81656759b67,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_85d3c7ff2e36ce,catpred_iteration1_km,km,P97608,P97608,MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEEGVLLPRGRPLDTSRIASIRMGTTVATNALLERQGERVALLVTRGFRDLLHIGTQARPDLFDLAVPMPEVLYEEVLEVDERVVLYRGEPGAGSPVKGRTGDLLEIQQPVDLEALRGKLEGLLSRGIHSLAVVLMHSYTWAQHEQQVGTLARELGFTHVSLSSEVMPMVRIVPRGHTACADAYLTPTIQRYVQGFRRGFQGQLKNVQVLFMRSDGGLAPMDAFSGSRAVLSGPAGGVVGYSATTYHLEGGQPVIGFDMGGTSTDVSRYAGEFEHVFEASTAGVTLQAPQLDINTVAAGGGSRLFFRSGLFVVGPESAGAHPGPACYRKGGPVTVTDANLVLGRLLPASFPCIFGPGEDQPLSPEASRKALEAVAMEVNSFLTNGPCPASQLSLEEVAMGFVRVANEAMCRPIRALTQARGHDPSAHVLACFGGAGGQHACAIAIPVHLGAMQETVQFQIQHLGADLHPGDVLLSNHPSAGGSHLPDLTVITPVFWPGQTRPVFYVASRGHHADIGGITPGSMPPHSTTLQQEGAVFLSFKLVQGGVFQEEAVTEALRAPGKISGCSGTRNLHDNLSDLRAQVAANQKGIQLVGELIGQYGLDVVQAYMGHIQANAELAVRDMLRAFGTSRQARGLPLEVSAEDHMDDGSPICLRVQINLSQGSAVFDFTGSGSEVFGNLNAPRAITLSALIYCLRCLVGRDIPLNQGCLAPVRVIIPKGSILDPSPEAAVVGGNVLTSQRVVDVILGAFGACSASQGCMNNVTLGNARMGYYETVAGGAGAGPGWHGRSGVHSHMTNTRITDPEILESRYPVILRRFELRPGSGGRGRFRGGDGVVRELVFREEALLSVLTERRAFQPYGLHGGEPGARGLNLLIRKDGRTVNLGGKTSVTVYPGDVFCLHTPGGGGYGDPEDPAPPPGSPPLFPAFPERGSVFEYRRAQEAV,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3621140499175343,,s_1bc53897037525803578d594,test
catpreddb_km_km_85de3bc09a6db7,catpred_iteration1_km,km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public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_85e0e57391a58c,catpred_iteration1_km,km,P14299,P14299,MKDMGEDRPGIGHSTNLVGLPTDLLASAWFNQAAPEIHIAGVREMNRSLFEMLAEAPDLESAGEAFYKYMIAMFGLDPEQQDHRPGQGGAVRRFHASYLRLLKGWGYDTNAKEGAVLKGWVESRFGLFPTFHREPITKFASKAWITYIEEKMTSRFHNNSIYVQLDLMYEFCQWALARFAAPGESALLLYRGVNDFTEHQMIERIDNRQVVVRMNNLVSFSSDRGVADCFGDTILETRVPVSKIVFFNTLLTSHPLKGEGEYLVIGGDYLVKASYL,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.3617278360175928,,s_5e9f31e94fc9501b6ba74821,test
catpreddb_km_km_85ebdf584a064a,catpred_iteration1_km,km,Q8II79,Q8II79,MENEQNNQDSENGLDYFRSMYDRYRDVFINHINDYVLEDDIKIIISKYYKLLFDYNCLGGKNNRGILVILIYEYVKNRDINCNEWEKVACIAWCIEILQASFLVADDIMDKGETRRNKHCWYLLKDVEIKNAVNDVFLLYNAIYKLLDVYLRNDNCYLDLITSFREATLKTIVGQHLDTNIFSDKYSHIDKDIDVNNINISQENKININMLNFKVYQNIIIHKTAYYSFFLPIVCGMQMGGISLDNLLYKKVENIAILMGEYFQVHDDYIDTFGDSKKTGKVGSDIQNNKLTWPLIKAFELCSQPEKEDIIRNYGKDNVTCIKFINDIYEHYNIRDHYVEYEKKQKMKILEAINQLHHEGIEYVLKYVMDILFTGA,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.10790539730952,,s_c42938b12aaaad3b796cfd65,test
catpreddb_km_km_85fc8ba12c0325,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,0.3483048630481606,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_86123bf1aabc24,catpred_iteration1_km,km,Q9SCA0,Q9SCA0,MSAAAATMAGSLSSHTLSSREFSGGLQVSSTRVRKLQRGAFAPMRPLCAVDPGRKSQSPVAPLAAVPSSTSDAVTLVQAAETSTVDVVDFEKLASELERASPLEIMDKALEMFGNDIAIAFSGAEDVALIEYARLTGRPFRVFSLDTGRLNPETYRFFDEVEKRYNIRIEYMFPDAVEVQALVRSKGLFSFYEDGHQECCRVRKVRPLRRALRGLRAWITGQRKDQSPGTRASVPTVQVDPSFEGFEGGTGSLIKWNPVANVDGQDIWRFLRTMAVPVNSLHSQGYVSIGCEPCTRPVLPGQHEREGRWWWEDAKAKECGLHKGNIKQDESVPPSSNGNGTAPSDLFSVVSLSRPGMENLLRLESRKDSWLVVLYAPWCRFCQGMEESFNEVAGVLGGDSGVKVGKFRADGDARAFAEEIGLVSFPTILFFPKHASKPVKYPSEQRDVDSLLAFVNALR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OS(=O)(=O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.681173532396967,,s_cbb6e44bf348f4fe8eaa545e,test
catpreddb_km_km_861bb0286c693a,catpred_iteration1_km,km,Q9NG18,Q9NG18,MALTLAAHKTLPRRKLVLVVLDGVGIGPRDEYDAVHVAKTPLMDALFNDPKHFRSICAHGTAVGLPTDADMGNSEVGHNALGAGRVVLQGASLVDDALESGEIFTSEGYRYLHGAFSQPGRTLHLIGLLSDGGVHSRDNQVYQILKHAGANGAKRIRVHALYDGRDVPDKTSFKFTDELEEVLAKLREGGCDARIASGGGRMFVTMDRYEADWSIVERGWRAQVLGEGRAFKSAREALTKFREEDANISDQYYPPFVIAGDDGRPIGTIEDGDAVLCFNFRGDRVIEMSRAFEEEEFDKFNRVRLPKVRYAGMMRYDGDLGIPNNFLVPPPKLTRTSEEYLIGSGCNIFALSETQKFGHVTYFWNGNRSGKLSEERETFCEIPSDRVQFNQKPLMKSKEITDAAVDAIKSGKYDMIRINYPNGDMVGHTGDLKATITSLEAVDQSLQRLKEAVDSVNGVFLITADHGNSDDMVQRDKKGKPVRDAEGNLMPLTSHTLAPVLFLSEALVLIPVCKCGQTFRVRPCNVTATFINLMGFEAPSDYEPSLIEVA,O=C(O)C(CO)OP(=O)(O)O,O=C(O)C(CO)OP(=O)(O)O,O=C(O)C(CO)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_c2bacf4afa0b570d63fdae0d,test
catpreddb_km_km_863b95fa9a48ec,catpred_iteration1_km,km,Q8WNR3,Q8WNR3,MVALWALTLALASGLAATSPPNIVLIFADDLGYGDLGSYGHPSSTTPNLDQLAAGGLRFTDFYVPVSLCTPSRAALLTGRLPVRMGLYPGVLEPSSRGGLPLEEVTLAEVLAARGYLTGMAGKWHLGVGPEGAFLPPHQGFHRFLGIPYSHDQGPCQNLTCFPPSTPCDGSCDQGLVPVPLLANLSVEAQPPWLPGLEARYVAFARDLMADAQRQGRPFFLYYASHHTHYPQFSGQSFSGHSGRGPFGDSLMELDAAVGALMTAVGDLGLLGETLVIFTADNGPETMRMSHGGCSGLLRCGKGTTFEGGVREPALAFWPGHIAPGVTHELASSLDLLPTLAALAGAPLPNVTLDGVDLSPLLLGTGKSPRRTLFFYPAYPDEVRGVFAVRSGKYKAHFFTQGSIHSDTTADPACHASSPLTAHEPPLLFDLSEDPGENYNLLGGVAEVAPEVLQVLKQLQLLKAQFDAAVTFSPSQIARGEDPALQICCQPSCTPRPSCCHCPELQP,O=[N+]([O-])c1ccc(OS(=O)(=O)O)c(O)c1,O=[N+]([O-])c1ccc(OS(=O)(=O)O)c(O)c1,O=[N+]([O-])c1ccc(OS(=O)(=O)O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.1706128395778216,,s_145c7bccdc08043732228a1e,test
catpreddb_km_km_865146401458d9,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)Cc1cccc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.3872161432802645,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_865c7c14661f78,catpred_iteration1_km,km,O69056,O69056,MTDVTGAPADVLHTLFHSDQGGHEQVVLCQDRASGLKAVIALHSTALGPALGGTRFYPYANEAEAVADALNLARGMSYKNAMAGLEHGGGKAVIIGDPEQIKSEELLLAYGRFVASLGGRYVTACDVGTYVADMDVVARECRWTTGRSPENGGAGDSSVLTSFGVYQGMRAAAQHLWGDPTLRDRTVGIAGVGKVGHHLVEHLLAEGAHVVVTDVRKDVVRSLTERHPSVVAVADTDALIRVENLDIYAPCALGGALNDETVPVLTAKVVCGAANNQLAHPGVEKDLADRGILYAPDYVVNAGGVIQVADELHGFDFDRCKAKAAKIYDTTLAIFARAKEDGIPPAAAADRIAEQRMAEARARR,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_020f56f03d53c9ffe98e89f2,test
catpreddb_km_km_8666e2a02fccca,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,CS,CS,CS>>,public_strict_iteration1_fulltrue_msa,,-0.619788758288394,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_86773836b2cb6b,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC1CCCC(=O)O1,CCCCCCCC1CCCC(=O)O1,CCCCCCCC1CCCC(=O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_868e44fec9f25c,catpred_iteration1_km,km,O08453,O08453,MANVNKTPGKARRAEVAGGGFAGLTAAIALKQSGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHLHDALVNRARALGIDIRVNSEAVAADPEGRLTLESGEVLEADLIVGADGVGSKVRDSIGFKQDRWISKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSAVPIDLEVWVEMFPFLEPCLVEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEAGSSVEDALVDWEKRIRPITDRCQALSGEYAANRSLSNGNMFTPAALEAARYDPLRRVFSWPQ,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-0.8646838697437398,,s_af6532167929e09c53556f0e,test
catpreddb_km_km_86af304f562a87,catpred_iteration1_km,km,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_0c3e58e911f51068e88986ab,test
catpreddb_km_km_86b150efdce6d4,catpred_iteration1_km,km,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,[Co+2],[Co+2],[Co+2]>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_27015adbfee76024dda17db7,test
catpreddb_km_km_86bbb4d3530a43,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_86c86236cab716,catpred_iteration1_km,km,A9YZY0,A9YZY0,MQAVKQNTSPITLIQPTAEIGAQVYQLIANCPPLDTNSMYCNLLQSSHFAETAVAAMLDEEVVGFISGYRIPQRPDSLFVWQVAVGEKARGQGLATQMLKAILSRPENQDIKRIETTITPDNRASWALFEGLARKLDTEISSSVMFDKTTHFADQHASEMLVKVGPFKSQKL,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_caea43b2a05efdc495d3bf93,test
catpreddb_km_km_86d866576b57a5,catpred_iteration1_km,km,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_km_km_86e6250489f3d3,catpred_iteration1_km,km,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,[Mg+2],[Mg+2],[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,0.2763341080560966,,s_27015adbfee76024dda17db7,test
catpreddb_km_km_86f16f5cbab1dc,catpred_iteration1_km,km,P00634,P00634,MKQSTIALALLPLLFTPVTKARTPEMPVLENRAAQGDITAPGGARRLTGDQTAALRDSLSDKPAKNIILLIGDGMGDSEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTGKPDYVTDSAASATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQDATPAALVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARADVTLGGGAKTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQQKPLLGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMTDKAIELLSKNEKGFFLQVEGASIDKQDHAANPCGQIGETVDLDEAVQRALEFAKKEGNTLVIVTADHAHASQIVAPDTKAPGLTQALNTKDGAVMVMSYGNSEEDSQEHTGSQLRIAAYGPHAANVVGLTDQTDLFYTMKAALGLK,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.891730021235596,,s_2fbd9b2222475cdfbac6ed3c,test
catpreddb_km_km_86f1712b653922,catpred_iteration1_km,km,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,1.0795247906113992,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_km_km_86f179d672d644,catpred_iteration1_km,km,Q9ZDA0,Q9ZDA0,MNKFKNIAVYGGGSFGTSLASLVARNCNNVTLFLRDEIILKEILYKKTNAQYLGDIELPTNLQATTNLSVIKDFELIIIAVPSYAFDDSIKLLKTYGISKEHTILVATKGLADNPTELFSDRLNTLLPDNPIGFLSGPNLAKELAKNLPASASIASLDIDIANKIAYNFSSKTFSTNTTIDIVTLQIAGALKNIFAIKSGIDLAREQGANSRATLIVGALKEITTLSKVLGGMQKNSDILLEAGVLGDLVLTCYSLGSRNTKFGYEFEISRDKKKFLCEYKELVEGREALKLVLDLIKKYNLHMPIVAEVASLILI,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_e0c728651567fcb5a7f0f0ec,test
catpreddb_km_km_86f1c1db6e48e8,catpred_iteration1_km,km,Q58CR4,Q58CR4,MTRECAPPTPGSGAPLSGSVLAEAAVVFVVVLSIHAAVWDRYSWCAVALAVQAFYVQYKWDRLLQQGSAVFQFRMSANSGLLPASVVMPLLGLVMKERCQAAGNPYFERFGIVVAATGMAVALFSSVLALGITRPVPTNTCVISGLAGGVIIYIMKHSLSVGEVIEVLEALLIFVYLNMILLYLLPRCFTPGEALLVLGGISFMLNQLIKRSLTVVESQGDPLDFFLLVVVVGMVLMGIFFSTLFVFMDSGTWASSIFFHLMTCVLGLGVVLPWLHRLIRRNPLLWLFQFLFQTETRVYLLAYWCLLATVACLVVLYQNAKRSSSESKKHQAPTITRKYFHFIVVATYIPGIILDRPLLYVAATVCLAVFIFLEYVRYFRIKPLGHTLRSLLSLFLDERDSGPLILTHIYLLLGMSLPIWLVPRPCTQKGSLGGARALVPYAGVLAVGVGDTVASIFGSTMGEIRWPGTKKTFEGTMTSIFAQIISVALILIFDSGVDLNYSYAWILGSISTVSLLEAYTTQIDNLLLPLYLLILLMA,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.3460354924086844,,s_7889a1ce2dc165aa3607b7f2,test
catpreddb_km_km_86feb438dc52d7,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,O=CCCC(=O)O,O=CCCC(=O)O,O=CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0633396990923006,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_871e017a2a5650,catpred_iteration1_km,km,D2AV87,D2AV87,MRTKRVFHAVDSHTEGMPTRVITGGVGVIPGSTMAERREHFLAEMDHVRTLLMYEPRGHSAMSGAILQPPTRPDADYGVLYIEVSGCLPMCGHGTIGVATVLVETGMVEVVEPVTTIRLDTPAGLVVAEVRVEDGAATAVTITNVPSFSAGLDRTVKVPGIGEVTYDLAYGGNFYAILPIESVGLPFDRAHKQQILDAGLAIMDAINEQDEPVHPLDAGIRGCHHVQFTAPGSDARHSRHAMAIHPGWFDRSPCGTGTSARMAQLHARGELPLDTDFVNESFIGTRFVGRLVEETEVTDLPAVVPTITGRAWVTGTAQYFLDPRDPFPEGFLL,O=C(O)C1CC(O)CN1,O=C(O)C1CC(O)CN1,O=C(O)C1CC(O)CN1>>,public_strict_iteration1_fulltrue_msa,,0.8920946026904804,,s_5382aa2296c21a4b0fec98c4,test
catpreddb_km_km_87398c70e021b5,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CCCO,CCCO,CCCO>>,public_strict_iteration1_fulltrue_msa,,-1.5606673061697374,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_8748918636583f,catpred_iteration1_km,km,P07913,P07913,MKALSKLKAEEGIWMTDVPVPELGHNDLLIKIRKTAICGTDVHIYNWDEWSQKTIPVPMVVGHEYVGEVVGIGQEVKGFKIGDRVSGEGHITCGHCRNCRGGRTHLCRNTIGVGVNRPGCFAEYLVIPAFNAFKIPDNISDDLAAIFDPFGNAVHTALSFDLVGEDVLVSGAGPIGIMAAAVAKHVGARNVVITDVNEYRLELARKMGITRAVNVAKENLNDVMAELGMTEGFDVGLEMSGAPPAFRTMLDTMNHGGRIAMLGIPPSDMSIDWTKVIFKGLFIKGIYGREMFETWYKMAALIQSGLDLSPIITHRFSIDDFQKGFDAMRSGQSGKVILSWD,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6417278531182751,,s_4738684cd83688944be39dab,test
catpreddb_km_km_8778e680e014a2,catpred_iteration1_km,km,Q92185,Q92185,MSPCGRARRQTSRGAMAVLAWKFPRTRLPMGASALCVVVLCWLYIFPVYRLPNEKEIVQGVLQQGTAWRRNQTAARAFRKQMEDCCDPAHLFAMTKMNSPMGKSMWYDGEFLYSFTIDNSTYSLFPQATPFQLPLKKCAVVGNGGILKKSGCGRQIDEANFVMRCNLPPLSSEYTKDVGSKSQLVTANPSIIRQRFQNLLWSRKTFVDNMKIYNHSYIYMPAFSMKTGTEPSLRVYYTLSDVGANQTVLFANPNFLRSIGKFWKSRGIHAKRLSTGLFLVSAALGLCEEVAIYGFWPFSVNMHEQPISHHYYDNVLPFSGFHAMPEEFLQLWYLHKIGALRMQLDPCEDTSLQPTS,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.055517327849831,,s_84b0e63fc9b800d99401f8c7,test
catpreddb_km_km_877ec2cb2f45c7,catpred_iteration1_km,km,B6T563,B6T563,MKIIIDTDPGIDDSVAILMAFQMPGVQVLGLTTIFGNCTTEHATRNALILCEKASHLEVPVAEGSHEPLKGGKPHVADFVHGPDGLGNVDLPDPTIKKVEESATDFLVDKVSRFPGEVSVLALGPLTNIALAIKKDPSFVKNVKKIVVLGGAFFAAGNATPSAEANIHSDPEAADMVFTSGADIYVVGLNITTQVSFTDKDLLELRNSQGKYAQFLCDVCKFYLDWHTESYGAPVIFLHDPVSFAALVRPELFTFKKGVVRVETQGICVGHTSMDMLLKKWNSENPWTGYSPISVAWTVDVPKVVAFVKELVTKP,OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4023048140744877,,s_29497d9eb647a01fb19fc6cf,test
catpreddb_km_km_8787ed5564b0e5,catpred_iteration1_km,km,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,N=C(O)CCC(=O)O,N=C(O)CCC(=O)O,N=C(O)CCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7460720641520846,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_km_km_87906f9e3bb4e9,catpred_iteration1_km,km,F2ZAE0,F2ZAE0,MAKHLATQLLQQWNEALKTMPPGFRTAGKILVWEELASNKVLITIALAWVLLFVARTCLRNKKRLPPAIPGGLPVLGNLLQLTEKKPHRTFTAWSKEHGPIFTIKVGSVPQAVVNNSEIAKEVLVTKFASISKRQMPMALRVLTRDKTMVAMSDYGEEHRMLKKLVMTNLLGPTTQNKNRSLRDDALIGMIEGVLAELKASPTSPKVVNVRDYVQRSLFPFALQQVFGYIPDQVEVLELGTCVSTWDMFDALVVAPLSAVINVDWRDFFPALRWIPNRSVEDLVRTVDFKRNSIMKALIRAQRMRLANLKEPPRCYADIALTEATHLTEKQLEMSLWEPIIESADTTLVTSEWAMYEIAKNPDCQDRLYREIVSVAGTERMVTEDDLPNMPYLGAIIKETLRKYTPVPLIPSRFVEEDITLGGYDIPKGYQILVNLFAIANDPAVWSNPEKWDPERMLANKKVDMGFRDFSLMPFGAGKRMCAGITQAMFIIPMNVAALVQHCEWRLSPQEISNINNKIEDVVYLTTHKLSPLSCEATPRISHRLP,C=C1C[C@@]23CCC4C(C)(C)CCC[C@@]4(C)C2CC[C@@H]1C3,C=C1C[C@@]23CCC4C(C)(C)CCC[C@@]4(C)C2CC[C@@H]1C3,C=C1C[C@@]23CCC4C(C)(C)CCC[C@@]4(C)C2CC[C@@H]1C3>>,public_strict_iteration1_fulltrue_msa,,-2.0409586076789066,,s_819011e57c6635158c898e49,test
catpreddb_km_km_87971d935f8483,catpred_iteration1_km,km,A0A0V3XMN6,A0A0V3XMN6,MHKVKLAAITCELPARSYENDDPVFAAVPDLSESWWQFWGVNRRGYFDPRNGENEFSLVVRAAERLLRSSDTAPDSVDMLICSASSPIMTDAGDVLPDLRGRLYPRMANVLSKQLGLSRALPLDSQMECASFLLNLRLAASMIRQGKAEKVLVVCSEYISNLLDFTSRTSTLFADGCAVALLTRGDDDSCDLLASAEHSDATFYEVATGRWRLPENPTGEAKPRLYFSLFSDGQNKMASFVPTNVPIAMRRALEKAGLGSDDIDYFVFHQPAPFLVKAWAEGIGARPEQYQLTMGDTGVMISVSIPYTLMTGLREGKIRPGDRIVMAGAATGWGFAAQVWQLGEVLVC,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1477188497432926,,s_fc23325f4d618852c65878ef,test
catpreddb_km_km_87a2d982bc54c8,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,OCC1(O)OC[C@@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@@H]1O,OCC1(O)OC[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4116197059632301,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_87aa1f679d0976,catpred_iteration1_km,km,Q6XZ78,Q6XZ78,MAPLGDGGAAAAAASNNLVVSFGEMLIDFVPDVAGLSLAESGGFVKAPGGAPANVACAIAKLGGSSAFVGKFGDDEFGHMLVNILKQNNVNAEGCLFDKHARTALAFVTLKHDGEREFMFYRNPSADMLLTEAELDLGLVRRARVFHYGSISLISEPCRSAHMAAMRAAKAAGVLCSYDPNVRLPLWPSPDAAREGILSIWKEADFIKVSDDEVAFLTRGDANDEKNVLSLWFDGLKLLVVTDGDKGCRYFTKDFKGSVPGFKVDTVDTTGAGDAFVGSLLVNVAKDDSIFHNEEKLREALKFSNACGAICTTKKGAIPALPTVATAQDLIAKAN,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6536470255493614,,s_636d56adb3089dc7f190aa93,test
catpreddb_km_km_87bcba5e251f91,catpred_iteration1_km,km,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.2518119729938,,s_d45caf713d065ae4220c2800,test
catpreddb_km_km_87c708b3790ba6,catpred_iteration1_km,km,Q9M1W4,Q9M1W4,MTGNSFNSMKDFLKQTGGYAVIDGGLATEFERHGADLNDPLWSAKCLVTSPHLIHTVHLDYLEAGADIISSASYQATIQGFEAKGFSREESESLLKKSVEIATEARNSYYDKCGTSSSMDDKILKKRPILVAASVGSYGAYLADGSEYSGIYGDSITLEKLKDFHRRRLQVLAESGADLIAFETIPNKIEAQAFADLLEEGDVKIPGWFSFNSKDGVNVVSGDSIKECISIAENCEKVVAVGINCTPPRFIEGLVLEIEKVTSKPILVYPNSGESYDADRKEWVENTGVGDEDFVSYVEKWMDAGVSLLGGCCRTTPTTIRAIHKRLVNRRSL,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.6478174818886375,,s_78d8427694ba2a5941cb1004,test
catpreddb_km_km_87d2692c1b9eaa,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,OC1C=CC=CC1O,OC1C=CC=CC1O,OC1C=CC=CC1O>>,public_strict_iteration1_fulltrue_msa,,0.0443967955951987,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_87d5bf211b08d9,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2>>,public_strict_iteration1_fulltrue_msa,,-0.6621415709589057,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_87e017534140ad,catpred_iteration1_km,km,A0A345GNZ1,A0A345GNZ1,MSGALSGLSCLVTGASGFVGLRILQMLLEEEERLGEVRAMDKTLSGRLRHTCDRFQSKIQVKLLEGDVRDAEFLDRCCQGVDLVIHTAAVIDTTGHINKETLMSINLHGTERLLESCVQNNVRYFIYTSSMEVVGPNTRGDPIVNGDEEMVYEGKLGFYYGESKRRAEQAVLRANGRELHNGGSLVTCSLRPTYIFGEGSQFLQMHLDQAFQNGGVFKRTSKKEALVNPVYVGNVAWGHILAARAMKDPDSVKKIAGKFYYICDDTPHMSYSDLNHALGKELGLGVEDRLLMPYPLFYFMASMMELVSFLLRPFFRFVPPLTRHLAILLNTTFTFSYKKIQSDMGYKPFYKWEEAKRLTSTWMDTILLQRKEANKKK,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.6163641316381203,,s_3442d3f3a6685ec90140aefe,test
catpreddb_km_km_87eecd1490fed7,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-3.45842075605342,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_880afa13a0f124,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(O)C1C(=O)N2C(C(=O)O)=C(SCCNC=N)CC12,CC(O)C1C(=O)N2C(C(=O)O)=C(SCCNC=N)CC12,CC(O)C1C(=O)N2C(C(=O)O)=C(SCCNC=N)CC12>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_880cfe5074af1c,catpred_iteration1_km,km,P16330,P16330,MNTSFTRKSHTFLPKLFFRKMSSSGAKEKPELQFPFLQDEDTVATLHECKTLFILRGLPGSGKSTLARLILEKYHDGTKMVSADAYKIIPGSRADFSEAYKRLDEDLAGYCRRDIRVLVLDDTNHERERLDQLFEMADQYQYQVVLVEPKTAWRLDCAQLKEKNQWQLSADDLKKLKPGLEKDFLPLYFGWFLTKKSSETLRKAGQVFLEELGNHKAFKKELRHFISGDEPKEKLELVSYFGKRPPGVLHCTTKFCDYGKAAGAEEYAQQEVVKRSYGKAFKLSISALFVTPKTAGAQVVLTDQELQLWPSDLDKPSASEGLPPGSRAHVTLGCAADVQPVQTGLDLLDILQQVKGGSQGEAVGELPRGKLYSLGKGRWMLSLTKKMEVKAIFTGYYGKGKPVPIHGSRKGGAMQICTII,N=C(O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OP(=O)([O-])O[C@@H]43)[C@@H](O)[C@@H]2O)c1,N=C(O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OP(=O)([O-])O[C@@H]43)[C@@H](O)[C@@H]2O)c1,N=C(O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H]4OP(=O)([O-])O[C@@H]43)[C@@H](O)[C@@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2572748686953017,,s_377174b0ce9ec2748c915a4b,test
catpreddb_km_km_881be02be58377,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12>>,public_strict_iteration1_fulltrue_msa,,-2.2441251443275085,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_88311175a2fa11,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.720046687481944,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_8839711ed73678,catpred_iteration1_km,km,P06621,P06621,MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_cca19f92ad8b55dce8e4e7cc,test
catpreddb_km_km_8843972d2da4d6,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CCC(=O)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.721246399047171,,s_955f208818110e17c458234b,test
catpreddb_km_km_8878b8f70e2cb3,catpred_iteration1_km,km,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_577e1452403bbeb8c4453dd0,test
catpreddb_km_km_8894960a6d1584,catpred_iteration1_km,km,Q8U1M0,Q8U1M0,MEKKKVVIIGGGAAGMSAASRVKRLRPEWDVKVFEATEWVSHAPCGIPYVVEGIAPKEKLMHYPPEVFIKKRGIDLHLKAEVIEVETGYVRVRENGEEKSYEWDYLVFANGASPQIPEIEGVDLPGVFTADLPPDAVAITEYMEKNKVEDVVIIGTGYIALEMAEAFVTRGKNVTLIGRSERVLRKTFDKEITDIVEEKLRQHLNLRLHEKTLSIEGRERVEKVITDGGEYKADLVIIATGIKPNVELAKQLGVKIGETGAIWTNEKMQTSVENVYAAGDVAETKHVITGKRVWIPLAPAGNKMGYVAGSNIAGKEIEFPGVLGTSITKFMDLEIGKTGLTENEAVKEGYDVRTAFIKANTKPHYYPGGREIWLKGVVDNETNRLLGVQAVGAEILPRIDSAAAMITAGFTTKDVFFTDLAYAPPFAPVWDPLIVLARVLKF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_583189ca36f83aabc36b844d,test
catpreddb_km_km_889e6215789270,catpred_iteration1_km,km,Q9V6K1,Q9V6K1,MFNRFRLVHKQLRLYKNFGLLGQKASVGLTLPIISLSRPYMAYMGTERSVVMITAPATKEFAESSERSNSSKKTTNKEQSDKSAESRMATSGIVESFPTGALVPKAETGVLNFLQKYPEYDGRDVTIAIFDSGVDPRATGLETLCDGKTVKVIERYDCSGCGDVDMKKKVTPDENGNIKGLSGNSLKLSPELMALNTDPEKAVRVGLKSFSDLLPSKVRNNIVAQAKLKHWDKPHKTATANASRKIVEFESQNPGEASKLPWDKKILKENLDFELEMLNSYEKVYGDIKTSYDCILFPTADGWLTIVDTTEQGDLDQALRIGEYSRTHETRNVDDFLSISVNVHDEGNVLEVVGMSSPHGTHVSSIASGNHSSRDVDGVAPNAKIVSMTIGDGRLGSMETGTALVRAMTKVMELCRDGRRIDVINMSYGEHANWSNSGRIGELMNEVVNKYGVVWVASAGNHGPALCTVGTPPDISQPSLIGVGAYVSPQMMEAEYAMRENLNVAKAADVSIYAPIFNDLLYEAEFESQMWMLFDANKALVATGDAHSHTSFTKLDKGEYTIRLQVRHEKRDLLEKISEANLVASFKLTSPLTLDFYENYNQCIVGGRKYVSSPLRLSTRVLYIAPITQERLTKANLPAQCAWLSGNLVFPQDEVGRRVAQHPFTYILNPAEKKSHTNGSSNGSSAAGSTATAAAVTTANGAKPKAPATPQAATSVTNPAAGDGISVQNDPPVDSSGSPASPKKGKANADDYAESFRDFQCSQIVKCELEMAEKIYNDVVAAHPKHLQANLLLIQNIESNQLKSQLPLTFVNAQKTSPPEAGESADKQKEDQKKVRSALERIVKLADKVIQETDSEALLSYYGLKNDTRADAAKIKTNMDKQKNTLIEALSKKGIAVAKLAVLDDCIKDSLAEINELYTEIIKFVDANDSKAIQFALWHAYAHGHYGRMYKYVVKLIEEKRTRDHFVELAAINGALGHEHIRTVINRMMITAFPSSFRLF,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)C(O)=N[C@H](C)C(O)=N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.669135408287633,,s_1c1c49a1455f667d26349e80,test
catpreddb_km_km_88a31c05ebae75,catpred_iteration1_km,km,O80852,O80852,MVLKVYGPHFASPKRALVTLIEKGVAFETIPVDLMKGEHKQPAYLALQPFGTVPAVVDGDYKIFESRAVMRYVAEKYRSQGPDLLGKTVEDRGQVEQWLDVEATTYHPPLLNLTLHIMFASVMGFPSDEKLIKESEEKLAGVLDVYEAHLSKSKYLAGDFVSLADLAHLPFTDYLVGPIGKAYMIKDRKHVSAWWDDISSRPAWKETVAKYSFPA,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0157351778125805,,s_eca93ea1047cbdbf8535743c,test
catpreddb_km_km_88d2b47f829512,catpred_iteration1_km,km,P97697,P97697,MADPWQECMDYAVILARQAGEMIREALKNKMDVMIKSSPADLVTVTDQKVEKMLMSSIKEKYPYHSFIGEESVASGEKTVFTEQPTWIIDPIDGTTNFVHRFPFVAVSIGFVVNKEMEFGVVYSCVEDKMYTGRKGKGAFCNGQKLRVSQQEDITKSLLVTELGSSRKPETLRIVLSNMERLCSIPIHGIRSVGTAAVNMCLVATGGADAYYEMGIHCWDMAGAGIIVIEAGGVLLDVTGGPFDLMSRRIIAASNIALAERIAKELEIIPLQRDDES,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO>>,public_strict_iteration1_fulltrue_msa,,-0.1135092748275181,,s_d1fd0690201b117a244e4e9f,test
catpreddb_km_km_88fd02a8cb6aa0,catpred_iteration1_km,km,P27583,P27583,VYEQVSIEVPQSVEAPVVIITGASEIEASTIQALSFGPDVXKEADVEAMIKAVDAWGQVDVLINNAGITRAGVIGLQKNINVNAIAPGFIASDMTAKILETIPLGR,CC(=O)CC(=O)SCCN=C(C)O,CC(=O)CC(=O)SCCN=C(C)O,CC(=O)CC(=O)SCCN=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.6812412373755872,,s_77aca37ee5f7dc02d6fd45fc,test
catpreddb_km_km_890f2410aa1cbe,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,Cl.N=C([O-])c1ccc[n+](Cc2ccccc2)c1,Cl.N=C([O-])c1ccc[n+](Cc2ccccc2)c1,Cl.N=C([O-])c1ccc[n+](Cc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,1.010299956639812,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_891838c95547db,catpred_iteration1_km,km,Q1DG84,Q1DG84,MPKRGGGGRGVTQKPSNRDVLPAGAESKDTELFFNRELSWMAFNDRVLQLAESPEIPLLERLKFIAIYARNLDEFFMIRVARLHEQIRGGVARLVPDGASPSDTLDKLHDGILKQTRRHGDAFEKVLRPALAEKGLRILSARNLDAEQRAQVDQRFKEQIFPVLTPLAIGLGRHFPYISNLSLSLAVLLRDPDADEESVARVKVPKELLPRFLPLKGNVFVPLEEIIAQHLGDLFPGMEVLSWGTFRVTRDADFTVSEDAEDLLKAVETELRERRFGDVIRMEVQAGMSPKLLEPLVEAMGLEARQVYEEHGLVGLNDLQSIAFAPGFPELKDPPWVPVTQARLRTDADAPDGGTVMSSMRRGDLLVHHPYESFATSVERFVTEAVADPDVLAIKQTVYRTSDSSPLVPALITATERGKQAVCMVELKARFDERTNIRWANALEEAGVHVVYGIPSLKTHAKAILIVRREGDKVRHYVHIGTGNYNPKTARLYTDMGLFTTDPDIGADVADVFNYLTGFGRPKSFRKLLVAPLTMRQGLLAEIKRTVAAHTAERPARIQMKMNALVDPGIIHALYEASRAGVKVELNVRGICCLRPGVPGVSENIRVVSVLGRFLEHSRIYIFERGPELRCFIGSADLMPRNLDHRVEILAPVEDASLAAQVKDSLERCMADTTSAWELTADGGWRRRLPRAGDEKRWAQGEMMERAQRMAQFQGGRPLP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0899051114393979,,s_882d5289fe179d9a2e6581ba,test
catpreddb_km_km_892ba017c88c2f,catpred_iteration1_km,km,F8KAY7,F8KAY7,MSRFIRASQRRTLLATLIAATLAQPLLAAESLDSKPASAITAAKNAEVLKNLPFADREEFEAAKRGLIAPFSGQIKNAEGQVVWDMGAYQFLNDKDAADTVNPSLWHQAQLNNIAGLFEVMPKLYQVRGLDPANMTIIEGDSGLVLIDTLTTAETARAALDLYFQHRPKKPIVAVVYSHSHIDHFGGARGIIDEADVKAGKVKVFAPSGFMEHAVSENILAGTAMARRGQYQSGVMVPRGAQAQVDSGLFKTTATNATNTLVAPNVLIEKPYERHTVDGVELEFQLTLGSEAPSDMNIYLPQFKVLNTADNAPPAMHNLLTPRGAEVRDAKAWAGYIDASLEKYGDRTDVLIQQHNWPVWGGDKVRTYLADQRDMYAFLNNRALNLMNKGLTLHEIAAEVSKLPGELDRKWYLRSYYGALSTNLRAVYQRYLGFYDGNPANLDPFPPVEAGKRYVEAMGGADAVLKQMRAAIDKGDYRWAVQLGNHLVFADPANKDARALQADAMEQLGYQTENALWRNMYMTGAMELRHGVPTYDSRGKSEMGRALTPDMFFDLLAIRLDTDKAVGHDMTLNWVFEDLKQDIALTLRNGVLTQRVGSLNPKADVTVKLTKPTLDQIAARKLDLPTAIKQGTVKLDGDGKKLGEFFGLLDSFSPKFNIVEPLE,CCCC(CCC)OS(=O)(=O)O,CCCC(CCC)OS(=O)(=O)O,CCCC(CCC)OS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.1760912590556811,,s_216fa5d4fb38cba1bff072cb,test
catpreddb_km_km_893c10ada57982,catpred_iteration1_km,km,P19464,P19464,MDSFPVINMEKLEGQERAATMKLINDACENWGFFELVNHSIPVELMDEVERLTKEHYKKCMEQRFKELMASKVEGAVVDANDMDWESTFFIRHLPVSNLSEIPDLTDEHRKVMKEFAEKLEKLAEQVLDLLCENLGLEKGYLKMAFAGTTTGLPTFGTKVSNYPPCPRPELFKGLRAHTDAGGLILLFQDDRVAGLQLLKDGEWVDVPPMNHSIVINLGDQVEVITNGKYKSVMHRVVAQTDGNRMSLASFYNPGSDAVIFPAPALVEKEAEEKKEVYPKFVFEDYMNLYAGLKFQAKEPRFEVMKMKAVETANLSPITT,NC1(C(=O)O)CC1,NC1(C(=O)O)CC1,NC1(C(=O)O)CC1>>,public_strict_iteration1_fulltrue_msa,,-0.7967299097830225,,s_2191740ee3eca938d63689e3,test
catpreddb_km_km_894478338089f4,catpred_iteration1_km,km,A0A5J6FK15,A0A5J6FK15,MFATGSATAAPATGSYTLKNAASGLCLGVPGASSSAGVQLAQAACNGAAGQTWKLTASGSGYTLTAAHSSKCAGVKDASTSAGKAVEQQNCGGAATQVWTLTPVSGSTYRVVNSNGGKCLNVKDGSTAAGALVQQNSCDSVTSKSWTFTAAGTTPTDPPTDPTDPPTDPPTDKPSWPAANGSQAVSSTMKVSGTYDGGMKRLYGSGDLGSGGQDEDQPALIELADGATLQNVILGAPAADGVHCSGACTIKNVWWEDVGEDAATFRGSSSSTVRTVDGGGARLAQDKVFQHNGAGTLVVKNFQVEDFGKLVRSCGNCSTQYGRHIQLQNIWVTTPGDSLVGINTNYGDTARFSDVTIYDDAGRDLDVCVKYKGTTSGEPSKIGSGADGTNCIYSSSDISYVD,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_c67ec5fee2328e582676d9cf,test
catpreddb_km_km_894ee653be044c,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,1.5255762612236907,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_894f2c44416eb9,catpred_iteration1_km,km,O32717,O32717,MKILFTFPGQGGQRPGMLAMIPDREAILTQARAVLGDEVDTLDSADALQHTRAVQLCLLIAGVAWARELQRQGVDPQMVSGLSIGAFPAAVIAGALDFASALRLVALRGDLMEQAYPEGYGLTAIMGLTRPRVEALMQGNEVYLANLNAETQFVIAGRDEAMAEVAQLALRAGASKAQRLAVSVPSHCALLDKPAAELAKAFAGASLRRPRCAYLSGSTARVLWDPQRIADDLAMNMARPVHWQEAMVAADERDARLAIEMPPGGVLTCLTRQAGWRGETIALERSGLDVARHLAQRLSD,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_5151164ed8a7b454ac411616,test
catpreddb_km_km_895a269995ebef,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.177713889646804,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_89619df9316b0e,catpred_iteration1_km,km,A0A165SC98,A0A165SC98,MKGKLKLFLAVGAISVIVAGCANANSQNGMKGTDQPKMNMGDSQQNTSQNKEQSGDMKLTQATPVADGKEFTITAQASNLKVSDDVTLPVWTFNNSVPGPQIRVKVGDTVKVKLKNELEEPVSIHWHGYPVPNNMDGIPGVTQDAVAAGKEFTYEFKATVPGTYWYHSHQDSVNQLDKGLYGTLIVEDPSESYDRDYTIVLDEWMSSGEMDMSNNEDMEGMDHSQMDMGDTSNNEDMQGMDHSQMDMGNTSNNEDMEGMDHSQMDMGDTSNMTEMAGHDMSMYDVYTMNGKTGDAIDKLTVKKGDKVRIRLVNAGYITHTIHLHGHEFKVIASDGQPVNSPAVITDQGIAIAPGERYDLEFTANNPGSWLLEEHGKEDRVKNMRAVIEYEGVPDRPDASNANEELPTFDLTKYGQQARTNFSLDQKFDQDVKLDLNTEMKAGEMVYTINGKLFPDTDPIKVDKGDKVKVTFVNNSKTDDHPMHLHGHFFQVLSKNGKPLEGTPVIKDTLNVKPGEEYVVAFEADNPGDWMFHCHDLHHASAGMVTDVMYNGYNSNYTPDPTVGNKPE,Oc1ccccc1O,Oc1ccccc1O,Oc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,1.0670336398422622,,s_e65e1a798563d1746dac7cca,test
catpreddb_km_km_896be4d0fc7c30,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]4O[C@@H](n5ccc(O)nc5=O)[C@H](O)[C@@H]4O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]4O[C@@H](n5ccc(O)nc5=O)[C@H](O)[C@@H]4O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]4O[C@@H](n5ccc(O)nc5=O)[C@H](O)[C@@H]4O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.1136558226589293,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_896d2b9e0aead2,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_8978b10e554f04,catpred_iteration1_km,km,E9BLE1,E9BLE1,MNSNHADAGAPAMEKKMSDKEARKAARLAEEKARAEEKAALVEKYKDVFGAAPMVQSTTYKSRTHIPVAKLSQPELVSKTVLIRARVSTTRKKGKMAFMVLRDGSDSVQAMAAVEGNVPKEMIDFMGQIATESIVDVEATVCKVEQPITSTSHSDIELKVKKIHTVTESLRTLPFTLEDASRKESDEGAKVNLDTRLNSRWMDLRTPASGAIFRLQSRVCQYFRQFLIDNDFCEIHSPKIINAPSEGGANVFKLEYFNRFAYLAQSPQLYKQMVLQGDVPRVFEVGPVFRSENSNTHRHLTEFVGLDVEMRIDEHYYEVLDVAESLFNYIFEHLATHTKELKNVCQQYPFEPLVWKLTPEKMKELGVGVISENVVPTDKFQARVHNMDSRMLRINYMHCIELLNTVLDEKMAPTDDINTTNEKLLGKLVKERYGTDFFISDRFPSSVRPFYTMECKDDVRFTNSYDMFIRGEEISSGAQRIHDPDLLLARAKMLNVDLTPIKEYVDSFRLGAWPHGGFGVGLERVVMLYLGLSNVRLASLFPRDPQRTTP,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0128372247051722,,s_bb6d7dab460aa31b9793cbcb,test
catpreddb_km_km_89a0149efc6145,catpred_iteration1_km,km,Q9HAS3,Q9HAS3,MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNTKQDEEQVTVEQDSPRNREHMEDDDEEMQQKGCLERRYDTVCGFCRKHKTTLRHIIWGILLAGYLVMVISACVLNFHRALPLFVITVAAIFFVVWDHLMAKYEHRIDEMLSPGRRLLNSHWFWLKWVIWSSLVLAVIFWLAFDTAKLGQQQLVSFGGLIMYIVLLFLFSKYPTRVYWRPVLWGIGLQFLLGLLILRTDPGFIAFDWLGRQVQTFLEYTDAGASFVFGEKYKDHFFAFKVLPIVVFFSTVMSMLYYLGLMQWIIRKVGWIMLVTTGSSPIESVVASGNIFVGQTESPLLVRPYLPYITKSELHAIMTAGFSTIAGSVLGAYISFGVPSSHLLTASVMSAPASLAAAKLFWPETEKPKITLKNAMKMESGDSGNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWFGNMFDYPQLSFELICSYIFMPFSFMMGVEWQDSFMVARLIGYKTFFNEFVAYEHLSKWIHLRKEGGPKFVNGVQQYISIRSEIIATYALCGFANIGSLGIVIGGLTSMAPSRKRDIASGAVRALIAGTVACFMTACIAGILSSTPVDINCHHVLENAFNSTFPGNTTKVIACCQSLLSSTVAKGPGEVIPGGNHSLYSLKGCCTLLNPSTFNCNGISNTF,Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_9f1cf3571f91ea70ba225e03,test
catpreddb_km_km_89ca9d1ba9fce6,catpred_iteration1_km,km,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_89cc4fe05ad8f6,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)Cc1ccccc1,O=C(O)CN=C(O)Cc1ccccc1,O=C(O)CN=C(O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_89d170fb4d8efe,catpred_iteration1_km,km,A0A482KFZ6,A0A482KFZ6,GNSSSPAFGELKDYYLFYLKSKSPKEELLKMWGEVLTSEESVFEVFVLYLSGEPNRNGHK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.646214911951032,,s_8372bf0970984a3ef2d9c891,test
catpreddb_km_km_89d330878aa1d6,catpred_iteration1_km,km,P04764,P04764,MSILKIHAREIFDSRGNPTVEVDLYTAKGLFRAAVPSGASTGIYEALELRDNDKTRFMGKGVSKAVEHINKTIAPALVSKKLNVVEQEKIDQLMIEMDGTENKSKFGANAILGVSLAVCKAGAVEKGVPLYRHIADLAGNPEVILPVPAFNVINGGSHAGNKLAMQEFMILPVGASSFREAMRIGAEVYHNLKNVIKEKYGKDATNVGDEGGFAPNILENKEALELLKSAIAKAGYTDQVVIGMDVAASEFYRAGKYDLDFKSPDDASRYITPDQLADLYKSFIKDYPVVSIEDPFDQDDWDAWQKFTATAGIQVVGDDLTVTNPKRIAKAAGEKSCNCLLLKVNQIGSVTESLQACKLAQSNGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCRSERLAKYNQILRIEEELGSKAKFAGRSFRNPLAK,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0506099933550872,,s_21cc081931f0f35ebbbe474e,test
catpreddb_km_km_89eb23664d7b6d,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CCCC=O,CCCC=O,CCCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.1590983357550833,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_8a01330c248d31,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.1877686477005278,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_8a0a1b45534870,catpred_iteration1_km,km,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,O=C(c1ccccc1)c1ccncc1,O=C(c1ccccc1)c1ccncc1,O=C(c1ccccc1)c1ccncc1>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_2764a837703abb2f4c81a0d2,test
catpreddb_km_km_8a10162e6b576a,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,C[C@H](N)C(O)=Nc1ccc2ccccc2c1,C[C@H](N)C(O)=Nc1ccc2ccccc2c1,C[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.9100948885606018,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_8a1bd3e6c99479,catpred_iteration1_km,km,Q4X1A4,Q4X1A4,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,O=P(O)(O)OCC(O)C(O)C(O)C(O)CO,O=P(O)(O)OCC(O)C(O)C(O)C(O)CO,O=P(O)(O)OCC(O)C(O)C(O)C(O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_8a4501d278feac,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.173393743112328,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_8a4562460a3128,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,CCCCCCCCOS(=O)(=O)O,CCCCCCCCOS(=O)(=O)O,CCCCCCCCOS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3595185630295782,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_8a8ecfd084c823,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12,O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CSC12>>,public_strict_iteration1_fulltrue_msa,,-0.7569619513137056,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_8a9921c827feb7,catpred_iteration1_km,km,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.895854449445992,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_km_km_8ac506480824e5,catpred_iteration1_km,km,P53582,P53582,MAAVETRVCETDGCSSEAKLQCPTCIKLGIQGSYFCSQECFKGSWATHKLLHKKAKDEKAKREVSSWTVEGDINTDPWAGYRYTGKLRPHYPLMPTRPVPSYIQRPDYADHPLGMSESEQALKGTSQIKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACIARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARPHFMSQF,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.413412695328245,,s_87fcc95bdef2ef3411c967e4,test
catpreddb_km_km_8ad5bf39799e2d,catpred_iteration1_km,km,Q2KIN2,Q2KIN2,MTAGRLYLRLLRAPSKFMVQRLLEGVPPSRGLHAGRGPRRLSVEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNVLAAGSQKAGAATSLGNLLDMMYQEPARWSYTFQTFSFLSRLKVQLEPFPEKLLAVGRAVQIFERSVYSDRYIFAKTLFENGSLSDIEWHIYQDWHYFLLQEFASRLRLHGFIYLQAAPQVCLKRLQRRARQEEKEVELAYLEQLHGQHEAWLVHKTTPLHSEALLNIPVLVLDVNDDFSEEVTIQEELMRRVNTFVKNL,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1,Nc1ncnc2c1ncn2C1CC(O)C(CO)O1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_7bedb8ca227493a3a288bf3a,test
catpreddb_km_km_8ad628a1b28e75,catpred_iteration1_km,km,P11466,P11466,MENQLAKSIEERTFQYQDSLPPLPVPSLEESLKKYLESVKPFANEDEYKKTEEIVQKFQDGVGKTLHQKLLERAKGKRNWLEEWWLNVAYLDVRIPSQLNVNFVGPSPHFEHYWPAREGTQLERGSILLWHNLNYWQLLRREKLPVHKSGNTPLDMNQFRMLFSTCKVPGITRDSIMNYFKTESEGHCPTHIAVLCRGRAFVFDVLHDGCLITPPELLRQLTYIYQKCWNEPVGPSIAALTSEERTRWAKAREYLIGLDPENLTLLEKIQSSLFVYSIEDTSPHATPENFSQVFEMLLGGDPAVRWGDKSYNLISFANGIFGCSCDHAPYDAMLMVNIAHYVDEKLLETEGRWKGSEKVRDIPLPEELAFTVDEKILNDVYQAKAQHLKAASDLQIAASTFTSFGKKLTKKEALHPDTFIQLALQLAYYRLHGRPGCCYETAMTRYFYHGRTETVRSCTVEAVRWCQSMQDPSASLLERQQKMLDAFAKHNKMMRDCSHGKGFDRHLLGLLLIAKEEGLPVPELFEDPLFSRSGGGGNFVLSTSLVGYLRIQGVVVPMVHNGYGFFYHIRDDRFVVTCSSWRSCLETDAEKLVEMIFHAFHDMIHLMNTAHL,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.647601245150796,,s_02c6b4dcaa67c480f2fd87c4,test
catpreddb_km_km_8ae8245bee6151,catpred_iteration1_km,km,Q9L555,Q9L555,MKVLFTTFAAKSHMHAQVPLAWALQTAGHEVRIASQPDLAEDITRTGLTAVCVGEPLLLEEQMQRVNEGLGDDAEIMESQAEAGMDMTETRPEMLTWDHVLGVFTSMTAMAFQNSCPERMIDDVVAFAREWQPDLIVWDTLSFAGPVAAQVTGAAHARLLFGLDLLGRMRETFLDLQEERLPEQRDDPLREWLTWTLGRYGAEFEEEVAVGQWTVDPVPPSMRFPVKQPFVPLRYIPYNGQAVIPDWLHEPPKKRRVCLTLGVAHREVLDGDRASIGELVEALAELDVEVVATLNEKQLAGMELPDNVRAVDFVPLNALLPTCSAVIHHGGSGTFQTALAHGVPQLIVPDMVWDTIHKAKQLERFGAGLYLHDVDNYTAQDLRDHLLRLLEEPSFAENCARIRREMVGTPSPNDIVPLLEKLTAEHRRDRGARGTVRGEQ,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O>>,public_strict_iteration1_fulltrue_msa,,-0.8601209135987634,,s_97ef0c32eac98fa1480a9b5a,test
catpreddb_km_km_8af022fd40714f,catpred_iteration1_km,km,P9WHK7,P9WHK7,MRKHPQTATKHLFVSGGVASSLGKGLTASSLGQLLTARGLHVTMQKLDPYLNVDPGTMNPFQHGEVFVTEDGAETDLDVGHYERFLDRNLPGSANVTTGQVYSTVIAKERRGEYLGDTVQVIPHITDEIKRRILAMAQPDADGNRPDVVITEIGGTVGDIESQPFLEAARQVRHYLGREDVFFLHVSLVPYLAPSGELKTKPTQHSVAALRSIGITPDALILRCDRDVPEALKNKIALMCDVDIDGVISTPDAPSIYDIPKVLHREELDAFVVRRLNLPFRDVDWTEWDDLLRRVHEPHETVRIALVGKYVELSDAYLSVAEALRAGGFKHRAKVEICWVASDGCETTSGAAAALGDVHGVLIPGGFGIRGIEGKIGAIAYARARGLPVLGLCLGLQCIVIEAARSVGLTNANSAEFDPDTPDPVIATMPDQEEIVAGEADLGGTMRLGSYPAVLEPDSVVAQAYQTTQVSERHRHRYEVNNAYRDKIAESGLRFSGTSPDGHLVEFVEYPPDRHPFVVGTQAHPELKSRPTRPHPLFVAFVGAAIDYKAGELLPVEIPEIPEHTPNGSSHRDGVGQPLPEPASRG,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_e0ed7aff493d7c51494ea2e7,test
catpreddb_km_km_8b0019a6256820,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,NCCCC=O,NCCCC=O,NCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-1.3872161432802643,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_8b09b9f8c17447,catpred_iteration1_km,km,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3891660843645325,,s_23a07e04da444562badc1284,test
catpreddb_km_km_8b2e61e31c3efc,catpred_iteration1_km,km,I3EBM6,I3EBM6,MPLVSMTEMLNKAKAEGYAVGQFNLNNLEFTQAILLAAEEEKSPVILGVSEGAGRYMGGFKTVVNMVKGLMEDYKITVPVAIHLDHGSSFEKCKEVIDAGFTSVMIDASHHPFEENVEVTKKVVEYAHARGVSVEAELGTVGGQEDDVIADGVIYADPKECEELVKRTGIDCLAPALGSVHGPYKGEPNLGFKEMEEIGRITGVPLVLHGGTGIPTKDIQRAISLGTAKINVNTENQIASAKKVREVLAENPNMYDPRKYLGPARDAIKETVIGKMREFGSSGKA,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2365720064370627,,s_dfd08d794d93cb583b2aee40,test
catpreddb_km_km_8b302cbedb1079,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_8b790576ecf752,catpred_iteration1_km,km,Q9I6Z1,Q9I6Z1,MSEEPTVSPPSPEQPAAQPAKPARPAARRAPRKPATRRPRVASPAQKAREEIQAISQKPVALQVASAPHGSSEDSTSASLPANYPYHTRMRRNEYEKAKHDLQIELLKVQSWVKETGQRVVVLFEGRDAAGKGGTIKRFMEHLNPRGARIVALEKPSSQEQGQWYFQRYIQHLPTAGEMVFFDRSWYNRAGVERVMGFCSPLQYLEFMRQAPELERMLTNSGILLFKYWFSVSREEQLRRFISRRDDPLKHWKLSPIDIKSLDKWDDYTAAKQAMFFHTDTADAPWTVIKSDDKKRARLNCIRHFLHSLDYPDKDRRIAHEPDPLLVGPASRVIEEDEKVYAEAAAAPGHANLDIPA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_633d047b5d80cf3aedb87cbc,test
catpreddb_km_km_8b9cc199c655db,catpred_iteration1_km,km,P23228,P23228,MPGSLPVNTESCWPKDVGIVALEIYFPSQYVDQTELEKYDGVDAGKYTIGLGQSKMGFCSDREDINSLCLTVVQKLMERNSLSYDCIGRLEVGTETIIDKSKSVKTVLMQLFEESGNTDVEGIDTTNACYGGTAALFNAINWIESSSWDGRYALVVAGDIAVYATGNARPTGGAGAVAMLVGSNAPLIFERGLRGTHMQHAYDFYKPDMVSEYPVVDGKLSIQCYLSALDRCYSVYRNKIHAQWQKEGTDRGFTLNDFGFMIFHSPYCKLVQKSVARLLLNDFLSDQNAETANGVFSGLEAFRDVKLEDTYFDRDVEKAFMKASAELFNQKTKASLLVSNQNGNMYTPSVYGCLASLLAQYSPEHLAGQRISEFSYGSGFAATLYSIRVTQDATPGSALDKITASLSDLKARLDSRKCIAPDVFAENMKIRQETHHLANYIPQCSVEDLFEGTWYLVRVDEKHRRTYARRPVMGDGPLEAGVEVVHPGIVHEHIPSPAKKVPRIPATTESEGVTVAISNGVH,CC(=O)CCSCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CCSCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CCSCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_9f35232fc2f9617e4c43db0c,test
catpreddb_km_km_8bc8d04765d067,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,CCCCCCCOC1OC(CO)C(O)C(O)C1O,CCCCCCCOC1OC(CO)C(O)C(O)C1O,CCCCCCCOC1OC(CO)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.1492191126553798,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_8bfb61c77498ab,catpred_iteration1_km,km,G8XUN7,G8XUN7,MNTRIPPGPGAVPMPSRRLFVQGLAAGGVVAGIAAVGVPQRALAAATAAPRLAGAPAVLSDTRIELAIGESLANFTGRTRPAITVNGSLPAPILRWREGQTVDLFVRNTLERHPTSIHWHGILLPANMDGVPGLSFNGIGPGETYHYHFELKQSGTYWYHSHSMFQEQAGLYGALIIDPAEPAPYHHDREHVILLSDWTDMDPGALFRRMKKLAEHDNYYKRTLPDFLRDVKRDGWSAALSDRGMWGRMRMTPTDISDINAHTYTYLMNGTAPAGNWTGLFRSGEKVLLRFINGASMTYFDVRIPGLKMTVVAADGQYIHPVSIDEFRIAPAETYDVLVEPTGQDAFTIFCQDMGRTGFAAGTLAVRHGLQAPIPAPDPRPLLTMSDMGHDMGSGGHGGHDMAAMKGMEGGCGASMGHDGDTASRAPKHPASERNNPLVDMQSSATEPKLDDPGIGLRDNGRQVLTYGAMRSLFEDPDGREPSREIELHLTGHMEKFSWSFDGIPFASAEPLRLNYGERMRIVLVNDTMMQHPIHLHGVWSDLENAQGEFQLRKHTIDMPPGTRRSYRVRADALGRWAYHCHLLYHMEAGMMREVRIEE,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.288377063031596,,s_d5955ff5ac396c6fbc4cd205,test
catpreddb_km_km_8c289b25a749bb,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O,COc1cc(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2OP(=O)(O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_8c685e7d2909bf,catpred_iteration1_km,km,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-1.1570843626869682,,s_006f723d5d8d505a1b6694d0,test
catpreddb_km_km_8c7a55c9260402,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.7827155479829009,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_8c7f8bd951c731,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.3775276236364104,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_8c8d3db6a77a31,catpred_iteration1_km,km,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,[Cu+],[Cu+],[Cu+]>>,public_strict_iteration1_fulltrue_msa,,-0.8927900303521318,,s_156ab3956782e3458257c298,test
catpreddb_km_km_8c97460d1b0bf2,catpred_iteration1_km,km,T2MBC4,T2MBC4,MFDNLSGVSYGLLAGILAMLIHLVYQKITELKRRKDELKERESHPTDDLFPKEDFIPYHPSRYSEEEMIKRSNDFYLSMNARRSVRFFSNEDVPDEVIDNIIRTAGTSPSGAHTEPWTFVVIKNKLLKAKVREIIEEEEELNYKQRMGQKWVDDLKPLKTNWIKEYLTEAPYLILVFKQTYGITEDGQKKTHYYNEISASISCGFLLAAIQNAGLVALTSTPLNAGSKLRNLVGRGPNEKIVILLPVGYPSKNCQVPNLKRKPLNEIMIKFD,N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(I)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_5c3ada43058dece14904f731,test
catpreddb_km_km_8ca3c30cbcf875,catpred_iteration1_km,km,A0A1D8EJG8,A0A1D8EJG8,MKSTVASALLVLAGTAVQAQSGPWQQCGGIGWQGPFTCVSGHTCQVLNDWYHQCVPGGGPSPPPTSPPPTTPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPTSPPPSSGSCPSTPGGLGSGNQRLPDPFTFHNGNTVTSAADFQCRQREVSSLIQQYELGQFPAPPQSVTSSYSGNTLSITVSDQGRSISFSVSISGGSGSKSPAIIAYGAPSIPVPNGVATIRFNNDDIAAQQSGSSRGQGKFYNLYGSGHSAGAMTAWAWGVARIIDALEKTPAAGIDPTRVGVTGCSRNGKGAMVAGALEPRIALTIPQESGSGGSACWRISNWQGQQGQNVQTPAQIITENVWLGPVFNNHANNVNALPFDHHQLAGLIAPRALYVIENSDMEWLGWTATYGCMAAARTQWEALGALDNFGFSQVGGNQHCSFNSGKQSAELNAFINKFLLQSGGGTTSILRTERNHGSFNLAEWTPWNVPNLR,O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_14c73ee61fa57956bf09c3d5,test
catpreddb_km_km_8cd36496ff7a41,catpred_iteration1_km,km,Q54QG0,Q54QG0,MNDSPIISVVLPFLIKDNDDKSLNYQGINNLIISIDSIIEQTFKEWELILVDDGSNNEILEQLLSKRYSTDNRIKFIINKENKGIVKSLNDAILNHCSPTSKYIARMDSDDISHPTRLQSQLKYLQSNETIDILGCPIKMFNNNKLIEILNNNNNNNNINNNVKELINIINNEESFKFIQHPDKDILMWSMFFNCCIVHPSVIFKRSIFTIEHCYEENNQFPFIEDYLFWLKSLIMKGLNISNIQSSTPLLYLRKHNNSISFKNIEKQKDSTANASCYYLNILFKRFNIDSEIIQNSSLSMKEIIQFFQLSPSSLSKINNISIELFEFAFKYLELIEKSCTKQQPNYSNSIKDAANEKMGELVSLCLSNYPNNQKSSLLWEKWLSRNPTSQLLSLLSNLNVKSSTTIINNNINNNNNNNNNNNNNNNNNNNNNNNNNNNNNSILNFISGINSNKINTPKSNNNKFKENGIRIICFSKDRAFQLKEYLRTFFKYLKNDDNGNDKFEIIVDVLFTYSNEKFKNSYQLVIESFPQVNFIKEENFTDQLINLVQKTNKLEYVMFSVDDILYYNEFNLKEYCLSLNSEPLALGFYMKLNKNITYCHTCNQDITIPLNSNTISRTENNFKYLKWNRNDNDCKKDWNYPWDLCSTIYRCNDIDSIINGIVKYYGIRNGINHPNRFEFNGNRPIIQKQIYQNKPYCLCLSDHYSPMSVVTINRVQDVYDNPIYDQTLSLDDLDQLLYSNKSLNDEKYKENSLSLNFKSVHIGELFIS,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.8450980400142568,,s_d78cd9306f4c0ebd61f6cc1c,test
catpreddb_km_km_8cefe29092a4d7,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_8cf5e124173266,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)C(C)=CC1=O,CC1=CC(=O)C(C)=CC1=O,CC1=CC(=O)C(C)=CC1=O>>,public_strict_iteration1_fulltrue_msa,,-0.6882461389442457,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_8d023e0ca94935,catpred_iteration1_km,km,A8BB85,A8BB85,MSAGKTVVIALGGNAMLQAKEKGDYDTQRKNVEIAASEIYKIHKAGYKVVLTSGNGPQVGAIKLQNQAAAGVSPEMPLHVCGAMSQGFIGYMMSQAMDNVFCANNEPANCVTCVTQTLVDPKDQAFTNPTKPVGRFYTEQEAKDLMAANPGKILREDAGRGWRVVVPSPRPLEIVEYGVIKTLIDNNVLVICTNGGGIPCKRENKVISGVDAVIDKDLATSLLAKTLNSDYLMILTDVLNACINYKKPDERKLEEIKLSEILALEKDGHFAAGSMGPKVRAAIEFTQATGKMSIITSLSTAVDALNGKCGTRIIKD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_72c06ac273d521cddbd7338f,test
catpreddb_km_km_8d07913e22efcf,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,O=CC(O)CO,O=CC(O)CO,O=CC(O)CO>>,public_strict_iteration1_fulltrue_msa,,1.361316961266906,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_8d0907cfbd0d51,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.9244530386074692,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_8d31f2de841bca,catpred_iteration1_km,km,Q07175,Q07175,MAVSARPARAPRGSDKVKKDKAAQTSGPRQGSRMGKLLGFEWTDVSSWERLVTLLNRPTDPAGLAVFRFLFGLMMVLDIPQERGLSSLDRRYLDGLEVCRFPLLDALQPLPLDWMYLIYTIMFLGALGMMLGLCYRISCVLFLLPYWYVFLLDKTSWNNHSYLYGLLAFQLTFVDAHHYWSVDGLLRARKRNAHVPLWNYAVLRGQIFIVYFIAGIKKLDADWVEGYSMEYLSRHWLFSPFKLVLSEEMTSLLVVHWCGLLLDLSAGFLLFFDASRPIGFVFVSYFHCMNSQLFSIGMFPYVMLASSPLFCSPEWPRKLVAHCPKKLQELLPLRTAPQPSTSCMYKRSRARGSQKPGLRHKLSTAFTLLYLLEQLFLPYSHFLTQGYNNWTNGLYGYSWDMMVHSRSHQHVKITYRDGRTGELGYLNPGVFTQSRRWKDHADMLKQYATCLSRLLPKYNVTEPQIYFDIWVSINDRFQQRIFDPRVDIVQAAWSPFQRTPWLQPLLMDLSPWRTKLQEIKSSLDNHTEVVFIADFPGLHLENFVSEDLGNTSIQLLQGEVTVELVAEQKNQTLQEGEKMQLPAGEYHKVYTVSSSPSCYMYIYVNTTEVALEQDLAYLQELKEKVENGSETGPLPPELQPLLEGEVKGGPEPTPLVQTFLRRQQRLQEIERRRNAPFHERLVRFLLRKLFIFRRSFLMTCISLRNLAFGRPSLEQLAQEVTYANLRPFEPAGEPSPVNTDSSNPNPPEPDSHPVHSEF,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](N)Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3103875390729674,,s_758b68a2c36468550d799726,test
catpreddb_km_km_8d4e7362883f16,catpred_iteration1_km,km,B0LDU5,B0LDU5,MVTVEEVRKAQRAEGPATVLAIGTATPPNCVGQSTYPDYYFRITNSEHKIELKQKFQRMCDKSMIKKRYMYLTEEILKENPSMCEYMAPSLDARQDMVIVEIPKLGKEAATKAIKEWGQPKSKITHLVFCTTSGVDMPGADYQLIKLFGLRPSVKRLMMYQQGCFAGGTVLRLAKDLAENNRGARVLVVCSEITVVTFRGPSDTHLDCLVGQALFGDGVASIIVGADPLPEIEKPLFELVSAAQTILPDSEGAIEGHLREVGLTFHLLENVPALISKNIEKSLNETFKPLDIMDWNSLFWIAHPGGPAILDQVEAKLGLKPEKLEATGHILSEYGNMSSACVLFILDVVRRKSAANGVTTRILSIGQISKSLLILAWFLFSLV,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_c70757d066b9511fe5edfd63,test
catpreddb_km_km_8d5f47be5e3c88,catpred_iteration1_km,km,Q3SEZ6,Q3SEZ6,MSKLVRPHGGGELKPLLLTGDALSAEKARAASLPQLKMSSRETGDLIMMGIGGFTPLDGFMTKSDWQGVCDGYKMTNGLFWPIPITLSTDDESIKDGDELALVDAETGEIMGTMKVTDKYTIDKAHECMQVYKTTDMEHPGVKMVMAQGKYNLAGPVKVLSTGNFKEEYGEQFMTPAETRAKFEQMGWSRVAAFQTRNPMHRSHEYLAKIAIETMDGVLVHSLLGALKPGDIPAEVRSEAIATLIDNYFAPNTVIQAGYPLDMRYAGPREALLHALFRQNYGCSHLIVGRDHAGVGDYYGPFDAQKIFDEIPKGSLETVNMNIDWTFWCKKCGGMASQRTCPHTKDDRILLSGTKVRAMLSEGQDLPVEFSRPEVAKVLQKYYAGLSAEQNVKVELKGHSAA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.3467874862246565,,s_a2d3076d9d34a37b59469d1b,test
catpreddb_km_km_8d6688f3552a6c,catpred_iteration1_km,km,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,ClCCCCCCl,ClCCCCCCl,ClCCCCCCl>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_e220e6dd4311615191e3744b,test
catpreddb_km_km_8d9e9946040767,catpred_iteration1_km,km,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4423410521030123,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_km_km_8da36bdd0adceb,catpred_iteration1_km,km,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O=P(O)(O)OCC(O)CO,O=P(O)(O)OCC(O)CO,O=P(O)(O)OCC(O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.0506099933550872,,s_38095aa1b1ee0421254bd92b,test
catpreddb_km_km_8dac7eabcce929,catpred_iteration1_km,km,O66479,O66479,MLCYVNYKRVKRPVEIPNLEVEIGFGRGDFIVKLAKENPDKNFFGIEISQISIEKLMKRVGKKGLKNVYCTNVDAYWGFYFLFRDNYVENIYMNYPDPWFKKRHHKRRLTKPERLYMFAKKLKLGGEIRIRTDNYEFLEFTKESAKVLDCFEVEEGTLNVKEPLTKYEQKWLSMGKTLYKLILRKVKEPKFVEHPEVEEVRELFPVKVKVESVDPKKIESREIKLDEEVYFKTFKVWQRDKDFLVECLLSEKGYLQKFFIQIKRKEDGYVIDVSPYSEVLRTRNLQRSIQTVAQLLS,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_9948cad558413cbfd77f4bbe,test
catpreddb_km_km_8db0292ee19314,catpred_iteration1_km,km,Q6U1I3,Q6U1I3,MEKPIFVTQPNLPPLEEFIPYLEIIWQNKQFTNNGPMHQKLEKKLCEFLGVEYISLFNNGTIALITAVQALGVKGEVITTPYSFVATAHSLVLNGLKPVFVDIDPKTLNIDPRRIEEAITPETQAIMPVHCYGNPCDTQAIADIAQKYNLKVIYDAAHAFGVEDDDGSVLRHGDLSVLSFHATKVFSTFEGGAIVCNSKEMKEKIDRLKNFGYIDETNINIIGSNGKMSEVNAAFGLLQLEHMDTFLRGRMNADMFYRQKLKDITGISIVIPSGQKISNFSYFPILVESDFPLSRDELFNYLKNQNIFARRYFYPVIPDFQAYLNVGEVCDVKNAREIASKVLCLPMHAELSSDILEYIVSTIREIK,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(=O)C(O)C3O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(=O)C(O)C3O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C)C(=O)C(O)C3O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-0.0087739243075051,,s_2df2c3c518ba6b7ea0da618f,test
catpreddb_km_km_8db4723be902bb,catpred_iteration1_km,km,Q96UT7,Q96UT7,MSRFHSLFAFVVASLTAVAHAGIGPVADLTITNAAVSPDGFSRQAVVVNGGTPGPLITGNMGDRFQLNVIDNLTNHTMLKSTSIHWHGFFQKGTNWADGPAFINQCPISSGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPAADLYDVDNDDTVITLVDWYHVAAKLGPAFPLGADATLINGKGRSPSTTTADLSVISVTPGKRYRFRLVSLSCDPNYTFSIDGHNMTIIETDSINTAPLVVDSIQIFAAQRYSFVLEANQAVDNYWIRANPNFGNVGFTGGINSAILRYDGAAAVEPTTTQTTSTAPLNEVNLHPLVATAVPGSPVAGGVDLAINMAFNFNGTNFFINGASFTPPTVPVLLQIISGAQNAQDLLPSGSVYSLPSNADIEISFPATAAAPGAPHPFHLHGHAFAVVRSAGSTVYNYDNPIFRDVVSTGTPAAGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVFAEDIPDVASANPVPQAWSDLCPTYDARDPSDQ,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_270cd71f8368b1336b9b25f1,test
catpreddb_km_km_8ddf59d31d3a41,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,O=C(O)C(=O)CS,O=C(O)C(=O)CS,O=C(O)C(=O)CS>>,public_strict_iteration1_fulltrue_msa,,0.505149978319906,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_8df5dfffb39ca6,catpred_iteration1_km,km,A2RKA3,A2RKA3,MNKRVKIVSTLGPAVEIRGGKKFGESGYWGESLDVEASAKNIAALIEEGANVFRFNFSHGDHPEQGARMATVHRAEEIAGHKVGFLLDTKGPEMRTELFTDGADSISVVTGDKFRVATKQGLKSTPELIALNVAGGLDIFDDVEIGQTILIDDGKLGLSLTGKDAATREFEVEAQNDGVIGKQKGVNIPNTKIPFPALAERDDADIRFGLSQPGGINFIAISFVRTANDVKEVRRICEETGNPHVQLLAKIENQQGIENLDEIIEAADGIMIARGDMGIEVPFEMVPVYQKLIISKVNKAGKIVVTATNMLESMTYNPRATRSEISDVFNAVIDGTDATMLSGESANGKYPRESVRTMATVNKNAQTMLKEYGRLHPERYDKSTVTEVVAASVKNAAEAMDVKLIVALTESGNTARLISKHRPDADILAITFDEKVERGLMINWGVIPMMTEKPASTDDMFEVAEKVALASGLVEAGDNIIIVAGVPVGTGRTNTMRIRTVK,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4813029154872956,,s_018d027cba93cedab21bdedb,test
catpreddb_km_km_8dfa0cedc9caa4,catpred_iteration1_km,km,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,O=CC=O,O=CC=O,O=CC=O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_km_km_8e021369bb8023,catpred_iteration1_km,km,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,CCCCCCCC(O)CC(=O)O,CCCCCCCC(O)CC(=O)O,CCCCCCCC(O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6968039425795112,,s_7c84c2d6fea9905641654dda,test
catpreddb_km_km_8e08df4c61d802,catpred_iteration1_km,km,Q8II79,Q8II79,MENEQNNQDSENGLDYFRSMYDRYRDVFINHINDYVLEDDIKIIISKYYKLLFDYNCLGGKNNRGILVILIYEYVKNRDINCNEWEKVACIAWCIEILQASFLVADDIMDKGETRRNKHCWYLLKDVEIKNAVNDVFLLYNAIYKLLDVYLRNDNCYLDLITSFREATLKTIVGQHLDTNIFSDKYSHIDKDIDVNNINISQENKININMLNFKVYQNIIIHKTAYYSFFLPIVCGMQMGGISLDNLLYKKVENIAILMGEYFQVHDDYIDTFGDSKKTGKVGSDIQNNKLTWPLIKAFELCSQPEKEDIIRNYGKDNVTCIKFINDIYEHYNIRDHYVEYEKKQKMKILEAINQLHHEGIEYVLKYVMDILFTGA,CC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1674910872937636,,s_c42938b12aaaad3b796cfd65,test
catpreddb_km_km_8e0f465f729c72,catpred_iteration1_km,km,P27142,P27142,MNLVLMGLPGAGKGTQAEKIVAAYGIPHISTGDMFRAAMKEGTPLGLQAKQYMDRGDLVPDEVTIGIVRERLSKDDCQNGFLLDGFPRTVAQAEALETMLADIGRKLDYVIHIDVRQDVLMERLTGRRICRNCGATYHLIFHPPAKPGVCDKCGGELYQRADDNEATVANRLEVNMKQMKPLVDFYEQKGYLRNINGEQDMEKVFADIRELLGGLAR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.4436974992327127,,s_bac69ee5fb03134f154123a7,test
catpreddb_km_km_8e362a85e8a936,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_8e4fa82a513129,catpred_iteration1_km,km,O93874,O93874,MPHVENASETYIPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKVVSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFGHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFSVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSHHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVNGKVLTLDGGAA,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-4.055517327849832,,s_c6855cbee948f6d8ae468865,test
catpreddb_km_km_8e5d239c417c61,catpred_iteration1_km,km,P00175,P00175,MLKYKPLLKISKNCEAAILRASKTRLNTIRAYGSTVPKSKSFEQDSRKRTQSWTALRVGAILAATSSVAYLNWHNGQIDNEPKLDMNKQKISPAEVAKHNKPDDCWVVINGYVYDLTRFLPNHPGGQDVIKFNAGKDVTAIFEPLHAPNVIDKYIAPEKKLGPLQGSMPPELVCPPYAPGETKEDIARKEQLKSLLPPLDNIINLYDFEYLASQTLTKQAWAYYSSGANDEVTHRENHNAYHRIFFKPKILVDVRKVDISTDMLGSHVDVPFYVSATALCKLGNPLEGEKDVARGCGQGVTKVPQMISTLASCSPEEIIEAAPSDKQIQWYQLYVNSDRKITDDLVKNVEKLGVKALFVTVDAPSLGQREKDMKLKFSNTKAGPKAMKKTNVEESQGASRALSKFIDPSLTWKDIEELKKKTKLPIVIKGVQRTEDVIKAAEIGVSGVVLSNHGGRQLDFSRAPIEVLAETMPILEQRNLKDKLEVFVDGGVRRGTDVLKALCLGAKGVGLGRPFLYANSCYGRNGVEKAIEILRDEIEMSMRLLGVTSIAELKPDLLDLSTLKARTVGVPNDVLYNEVYEGPTLTEFEDA,C[C@H](O)C(=O)O,C[C@H](O)C(=O)O,C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.619788758288394,,s_5872b9939ee3ecd548482387,test
catpreddb_km_km_8e64ac7bfc96a1,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_8e6858bc0a5cc8,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1,Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1,Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-2.7986028756795487,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_8e8de21b1f43ec,catpred_iteration1_km,km,P9WPH3,P9WPH3,MPDVDWNMLRGNATQAAAGAYVPYSRFAVGAAALVDDGRVVTGCNVENVSYGLTLCAECAVVCALHSTGGGRLLALACVDGHGSVLMPCGRCRQVLLEHGGSELLIDHPVRPRRLGDLLPDAFGLDDLPRERR,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.0248959601074849,,s_f1eb084b8a8d2f00d2fe360b,test
catpreddb_km_km_8e9756984c5716,catpred_iteration1_km,km,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_km_km_8eb470f92474a1,catpred_iteration1_km,km,P23228,P23228,MPGSLPVNTESCWPKDVGIVALEIYFPSQYVDQTELEKYDGVDAGKYTIGLGQSKMGFCSDREDINSLCLTVVQKLMERNSLSYDCIGRLEVGTETIIDKSKSVKTVLMQLFEESGNTDVEGIDTTNACYGGTAALFNAINWIESSSWDGRYALVVAGDIAVYATGNARPTGGAGAVAMLVGSNAPLIFERGLRGTHMQHAYDFYKPDMVSEYPVVDGKLSIQCYLSALDRCYSVYRNKIHAQWQKEGTDRGFTLNDFGFMIFHSPYCKLVQKSVARLLLNDFLSDQNAETANGVFSGLEAFRDVKLEDTYFDRDVEKAFMKASAELFNQKTKASLLVSNQNGNMYTPSVYGCLASLLAQYSPEHLAGQRISEFSYGSGFAATLYSIRVTQDATPGSALDKITASLSDLKARLDSRKCIAPDVFAENMKIRQETHHLANYIPQCSVEDLFEGTWYLVRVDEKHRRTYARRPVMGDGPLEAGVEVVHPGIVHEHIPSPAKKVPRIPATTESEGVTVAISNGVH,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.070581074285707,,s_9f35232fc2f9617e4c43db0c,test
catpreddb_km_km_8ecf68f6a630a0,catpred_iteration1_km,km,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,NC(=O)c1nc(F)cnc1O,NC(=O)c1nc(F)cnc1O,NC(=O)c1nc(F)cnc1O>>,public_strict_iteration1_fulltrue_msa,,0.8079407212154993,,s_819c9375ca8203a769c0057f,test
catpreddb_km_km_8ed4ce72fd9d0a,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,C[C@](O)(C(=O)O)[C@H](CC(=O)O)C(=O)O,C[C@](O)(C(=O)O)[C@H](CC(=O)O)C(=O)O,C[C@](O)(C(=O)O)[C@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1611509092627446,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_8ed6be463f5af6,catpred_iteration1_km,km,D4GP40,D4GP40,MVEQAKLSDPNAEYTMRDLSAETIDITNPRGGVRDAEITDVQTTMVDGNYPWILVRVYTDAGVVGTGEAYWGGGDTAIIERMKPFLVGENPLDIDRLYEHLVQKMSGEGSVSGKVISAISGIEIALHDVAGKLLDVPAYQLVGGKYRDEVRVYCDLHTEDEANPQACAEEGVRVVEELGYDAIKFDLDVPSGHEKDRANRHLRNPEIDHKVEIVEAVTEAVGDRADVAFDCHWSFTGGSAKRLASELEDYDVWWLEDPVPPENHDVQKLVTQSTTTPIAVGENVYRKFGQRTLLEPQAVDIIAPDLPRVGGMRETRKIADLADMYYIPVAMHNVSSPIGTMASAQVAAAIPNSLALEYHSYQLGWWEDLVEEDDLIQNGHMEIPEKPGLGLTLDLDAVEAHMVEGETLFDEE,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_0b173980928d42e9a131d40f,test
catpreddb_km_km_8eda40b26a1c83,catpred_iteration1_km,km,A0A0F8NI45,A0A0F8NI45,MKFDPEKIKKDAKENFDHAWNEGKKMVKMPTLNERYPRTTLRYGKAHPVYDTIQKLREAYMRMGFEEMMNPLIVDEKEVHKQFGSEALAVLDRCFYLAGLPRPNVGISDERIAQITEILGDIGEEGIDKIRKELHAYKKGKIEGDDLVPEISAALEVSDALVADMIDRVFPEFKELIPQASTKTLRSHMTSGWFISLGALLEREESPFHFFSIDRCFRREQQEDASRLMTYYSASCVIMDEDVTVDHGKAVSEGLLSQFGFEKFLFRPDEKRSKYYVPDTQTEVFAFHPKLVGSNSKYSDGWIEVATFGIYSPTALAEYDIPYPVMNLGLGVERLAMILHDAPDVRSLTYPQIPQYSEWEMSDSGLAKQVFVDRMPETPEGQEIASAVVAQCELHGEEPSPCEFPAWEGEVCGRKVKVSVIEPEENTKLCGPAAFNEVVAYQGDILGIPNNKKWQKAFENHSARAGIRFIEAFAAQAAREIEEAAMSGADEHIVRIRIVKVPSEVNLKIGATAQRYITGKNKKIDIRGPVFTSVKAEFE,N[C@@H](COP(=O)(O)O)C(=O)O,N[C@@H](COP(=O)(O)O)C(=O)O,N[C@@H](COP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9832881222565252,,s_c4a2de1f6a1d2ebc4477e353,test
catpreddb_km_km_8f127deded6271,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.5884942388291045,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_8f14674a86f533,catpred_iteration1_km,km,Q97VW1,Q97VW1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILVQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAIGLIGSVLRRAFYDKS,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,1.1613680022349748,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_8f27c07f0a5b90,catpred_iteration1_km,km,P0AG18,P0AG18,MSSRNNPARVAIVMGSKSDWATMQFAAEIFEILNVPHHVEVVSAHRTPDKLFSFAESAEENGYQVIIAGAGGAAHLPGMIAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILATHDKELHQRLNDWRKAQTDEVLENPDPRGAA,Nc1cncn1C1OC(COP(=O)(O)O)C(O)C1O,Nc1cncn1C1OC(COP(=O)(O)O)C(O)C1O,Nc1cncn1C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_c1004897da4bd8e576950e7c,test
catpreddb_km_km_8f5553a20f7900,catpred_iteration1_km,km,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CCCCCC(=O)O,CCCCCC(=O)O,CCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7994783988379809,,s_6054a43023a3df240062cbaf,test
catpreddb_km_km_8f59ffd4514e49,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.4089353929735008,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_8f6664ea040750,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_8f68f0bb82e675,catpred_iteration1_km,km,Q24JL3,Q24JL3,MKRAFSSQLRSAYPASKSTHFGRVMASSGSEAKANYAPISTNEPVVSVDWLHSNLGDADIKVLDASWYMAHEQRNPIQEYQVAHIPGALFFDLNGIADRKTNLRHMLPSEEAFAAGCSALGIENNDGVVVYDGMGLFSAARVWWMFRVFGHDKVWVLDGGLPKWRASGYDVESSVSNDAILKASAATEAIEKIYQGQTISPITFQTKFRPHLVLALDQVKENIEDKTYQHIDARSKARFDGIAPEPWKGLPSGHIPGSKCVPFPLMFDSSQTLLPAEELKKQFEQEDISLDSPIAASCGTGVTACILALGLYRLGKTNVAIYDGSWTEWATAPNLPIVGSSS,O=C([O-])C(=O)CS,O=C([O-])C(=O)CS,O=C([O-])C(=O)CS>>,public_strict_iteration1_fulltrue_msa,,1.8573324964312683,,s_4444e71530bfb89335d6e15b,test
catpreddb_km_km_8f720db24fac7c,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,O=C1C=CC(=O)C=C1,O=C1C=CC(=O)C=C1,O=C1C=CC(=O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-2.387216143280275,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_8f883a3129a3e7,catpred_iteration1_km,km,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6712113404111032,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_km_km_8f8b901056ab14,catpred_iteration1_km,km,Q58497,Q58497,MKIMFLGNDTVEIKDGRFFIDGYDAIELAEKFGTPLYVMSEEQIKINYNRYIEAFKRWEEETGKEFIVAYAYKANANLAITRLLAKLGCGADVVSGGELYIAKLSNVPSKKIVFNGNCKTKEEIIMGIEANIRAFNVDSISELILINETAKELGETANVAFRINPNVNPKTHPKISTGLKKNKFGLDVESGIAMKAIKMALEMEYVNVVGVHCHIGSQLTDISPFIEETRKVMDFVVELKEEGIEIEDVNLGGGLGIPYYKDKQIPTQKDLADAIINTMLKYKDKVEMPNLILEPGRSLVATAGYLLGKVHHIKETPVTKWVMIDAGMNDMMRPAMYEAYHHIINCKVKNEKEVVSIAGGLCESSDVFGRDRELDKVEVGDVLAIFDVGAYGISMANNYNARGRPRMVLTSKKGVFLIRERETYADLIAKDIVPPHLL,NC(CCCC(N)C(=O)O)C(=O)O,NC(CCCC(N)C(=O)O)C(=O)O,NC(CCCC(N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2306226739238615,,s_2dba121edf1b2901d3784903,test
catpreddb_km_km_8f8e4be5467f08,catpred_iteration1_km,km,Q12235,Q12235,MSKVDVKIGADSISSSDEILVPSRLADVTLAFMEENDAAVPEITPEQEKKLKRKLFLTIFTFVSAINLLLYMDKATLSYDSILGFFEDTGLTQNTYNTVNTLFYVGFAIGQFPGQYLAQKLPLGKFLGGLLATWTILIFLSCTAYNFSGVVALRFFLGLTESVVIPILITTMGMFFDASERAAAQPFFFAACMGSPIPTGFIAYGVLHITNPSISLWKIFTIIIGGLTFIMTVVVILWFPNNPADVKFFSIQERVWIIRRVQASTGSSIEQKVFKKSQFREAMKDYITWLFGLFFLLQQLANNLPYQQNLLFEGMGGVDALGSTLVSVAGAGFAVVCAFIATLMLAKWKNISALTAIFWTLPALVGSIAAAALPWDNKIGILANICMAGQIFGIPFIIALSWASSSASGYTKKLTRSSVSLFAMGIANIISPQIWREKDSPRFLPAWIVQIVLSFSLAPAILLLIHFILKRRNNQRLKNYDENLQNYLDRIQLIESENPSSIEEGKVVTHENNLAVFDLTDLENETFIYPL,NC(CS)C(=O)O,NC(CS)C(=O)O,NC(CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2564902352715703,,s_3f1679ba90c2702f14be8140,test
catpreddb_km_km_8f92adfef14775,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,1.0086001717619175,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_8f9ca7ed525b28,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_8fb18c071efb68,catpred_iteration1_km,km,F7IX06,F7IX06,MSVTTPRRETSLLSRALRATAAAATAVVATVALAAPAQAANPYERGPNPTESMLEARSGPFSVSEERASRFGADGFGGGTIYYPRENNTYGAIAISPGYTGTQSSIAWLGERIASHGFVVIAIDTNTTLDQPDSRARQLNAALDYMLTDASSAVRNRIDASRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKSWRDITVPTLIIGAEYDTIASVTLHSKPFYNSIPSPTDKAYLELDGASHFAPNITNKTIGMYSVAWLKRFVDEDTRYTQFLCPGPRTGLLSDVEEYRSTCPF,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.3747483460101038,,s_e806085a30d0427b3ece1df8,test
catpreddb_km_km_8fc20d54d4eeb6,catpred_iteration1_km,km,Q5JRX3,Q5JRX3,MWRCGGRQGLCVLRRLSGGHAHHRAWRWNSNRACERALQYKLGDKIHGFTVNQVTSVPELFLTAVKLTHDDTGARYLHLAREDTNNLFSVQFRTTPMDSTGVPHILEHTVLCGSQKYPCRDPFFKMLNRSLSTFMNAFTASDYTLYPFSTQNPKDFQNLLSVYLDATFFPCLRELDFWQEGWRLEHENPSDPQTPLVFKGVVFNEMKGAFTDNERIFSQHLQNRLLPDHTYSVVSGGDPLCIPELTWEQLKQFHATHYHPSNARFFTYGNFPLEQHLKQIHEEALSKFQKIEPSTVVPAQTPWDKPREFQITCGPDSFATDPSKQTTISVSFLLPDITDTFEAFTLSLLSSLLTSGPNSPFYKALIESGLGTDFSPDVGYNGYTREAYFSVGLQGIAEKDIETVRSLIDRTIDEVVEKGFEDDRIEALLHKIEIQMKHQSTSFGLMLTSYIASCWNHDGDPVELLKLGNQLAKFRQCLQENPKFLQEKVKQYFKNNQHKLYEKGLELRSQQSKPQDASCLPALKVSDIEPTIPVTELDVVLTAGDIPVQYCAQPTNGMVYFRAFSSLNTLPEELRPYVPLFCSVLTKLGCGLLDYREQAQQIELKTGGMSASPHVLPDDSHMDTYEQGVLFSSLCLDRNLPDMMQLWSEIFNNPCFEEEEHFKVLVKMTAQELANGIPDSGHLYASIRAGRTLTPAGDLQETFSGMDQVRLMKRIAEMTDIKPILRKLPRIKKHLLNGDNMRCSVNATPQQMPQTEKAVEDFLRSIGRSKKERRPVRPHTVEKPVPSSSGGDAHVPHGSQVIRKLVMEPTFKPWQMKTHFLMPFPVNYVGECIRTVPYTDPDHASLKILARLMTAKFLHTEIREKGGAYGGGAKLSHNGIFTLYSYRDPNTIETLQSFGKAVDWAKSGKFTQQDIDEAKLSVFSTVDAPVAPSDKGMDHFLYGLSDEMKQAHREQLFAVSHDKLLAVSDRYLGTGKSTHGLAILGPENPKIAKDPSWIIQ,COc1ccc2c(CC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-2.1191864077192086,,s_5f2a570f769667ffa4881e4c,test
catpreddb_km_km_8fc36ba63a7420,catpred_iteration1_km,km,Q8K3F7,Q8K3F7,MLFLGMLKQVVNGTAQSKASSCRKLVLPLKFLGTSQHRIPADANFHSTSISEAEPPRVLITGGLGQLGVGLANLLRKRFGKDNVILSDIRKPPAHVFHSGPFVYANILDYKSLREIVVNHRISWLFHYSALLSAVGEANVSLARDVNITGLHNVLDVAAEYNVRLFVPSTIGAFGPTSPRNPAPDLCIQRPRTIYGVSKVHTELMGEYYYYRYGLDFRCLRYPGIISADSQPGGGTTDYAVQIFHAAAKNGTFECNLEAGTRLPMMYISDCLRATLEVMEAPAERLSMRTYNISAMSFTPEELAQALRKHAPDFQITYCVDPLRQAIAESWPMILDDSNARKDWGWKHDFDLPELVATMLNFHGVSTRVAQVN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.2227164711475832,,s_2b59097a8e1a57d700997659,test
catpreddb_km_km_8fc9a73bf2191f,catpred_iteration1_km,km,J7JYU5,J7JYU5,MAQKEQITFYTHFYSPYCDRVHLALEEVKADYTVYTVDVMNKPKWYTEQINPVGKIPAITYGGPKVKPEEPSPESCKLRESLVILEFLADLFPEAGLLPTDPVLRAKARLFASDVDAHVFEGFKAYFFMREPASKLLDALDRFQQQLPARGFAVGDKWTLADMAAAPFLVRTYLLLEHDLGVYPAGEGPKTLALLRGERFARLNQYLADLRAQPSFKATWDEAAQVAIWKSNPMFKRE,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,0.0870712059065354,,s_acc8279b1cb8e7e619605320,test
catpreddb_km_km_8fd3eaf2647f93,catpred_iteration1_km,km,Q8VCC1,Q8VCC1,MHVNGKVALVTGAAQGIGKAFAEALLLHGAKVALVDWNLEAGVKCKAALDEQFEPQKTLFVQCDVADQKQLRDTFRKVVDHFGRLDILVNNAGVNNEKNWEQTLQINLVSVISGTYLGLDYMSKQNGGEGGIIINMSSLAGLMPVAQQPVYCASKHGIIGFTRSAAMAANLMKSGVRLNVICPGFVDTPILESIEKEENMGQYIEYKDQIKAMMKFYGVLHPSTIANGLINLIEDDALNGAIMKITASKGIHFQDYDISPLLVKAPLTS,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.3798639450262424,,s_d7bd7bf9dae694733b0f418d,test
catpreddb_km_km_8fd610fa2babd5,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3388903526330402,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_8fd692bfeeb4a8,catpred_iteration1_km,km,P52196,P52196,MVHQVLYRALVSTKWLAESIRSGRLGPSLRVLDASWYSPGTRQARKEYQERHVPGASFFDIEECRDTTSPYEMMLPSEAHFGDYVGNLGISNDTHVVVYDGDDLGSFYAPRVWWMFRVFGHRTVSVLNGGFRNWLKEGHPVTSEPSRPEPAVFKATLNLSLLKTYEQVLENLQSKRFQLVDSRAQGRYLGTQPEPDIVGLDSGHIRGSVNMPFMDFLTKDGFEKSPEELRAIFQDKKVDLSQPLIATCRKGVTACHVALAAYLCGKPDVAVYDGSWSEWFRRAPPETRVSQGKSGKA,O=S([O-])([O-])=S,O=S([O-])([O-])=S,O=S([O-])([O-])=S>>,public_strict_iteration1_fulltrue_msa,,1.5646659217445036,,s_a150731891839dd7a59cb2dd,test
catpreddb_km_km_8fedd74198537a,catpred_iteration1_km,km,E5BBQ3,E5BBQ3,MAVMTPRRERSSLLSRALQVTAAAATALVTAVSLAAPAHAANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,O=C(OCCO)c1ccc(C(=O)OCCO)cc1,O=C(OCCO)c1ccc(C(=O)OCCO)cc1,O=C(OCCO)c1ccc(C(=O)OCCO)cc1>>,public_strict_iteration1_fulltrue_msa,,1.0949275568948071,,s_622f654e005640bab6abcb8a,test
catpreddb_km_km_8ff4c0eca7709e,catpred_iteration1_km,km,A8BB85,A8BB85,MSAGKTVVIALGGNAMLQAKEKGDYDTQRKNVEIAASEIYKIHKAGYKVVLTSGNGPQVGAIKLQNQAAAGVSPEMPLHVCGAMSQGFIGYMMSQAMDNVFCANNEPANCVTCVTQTLVDPKDQAFTNPTKPVGRFYTEQEAKDLMAANPGKILREDAGRGWRVVVPSPRPLEIVEYGVIKTLIDNNVLVICTNGGGIPCKRENKVISGVDAVIDKDLATSLLAKTLNSDYLMILTDVLNACINYKKPDERKLEEIKLSEILALEKDGHFAAGSMGPKVRAAIEFTQATGKMSIITSLSTAVDALNGKCGTRIIKD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_72c06ac273d521cddbd7338f,test
catpreddb_km_km_8ff653bbabf307,catpred_iteration1_km,km,P20456,P20456,MADPWQECMDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEKMLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGFPFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQEDITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCLVAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIASSNKTLAERIAKEIQIIPLQRDDED,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(O)O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(O)O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2365720064370627,,s_835376cafd645d9f967b285e,test
catpreddb_km_km_90095da2b7e569,catpred_iteration1_km,km,D4GR05,D4GR05,MTAELVTFGETMIRLSPPEGERIETARSLEFRTAGAESNVAVAASRLGCSAAWLSKLPDSPLGRRVTTELRTHGVEPYVRWDDDARQGAYYIEQGRAPRPTNVIYDRADAAVTTARPDELAVDIVEDAAAFYTSGITPALSETLRETTGELLQTATEAGTTTAFDLNYRSKLWSPSDARDACESLFPKVDVLVAAERDIRAVLELDGDAPTLASELAGDFDFETVVVTRGEDGALARHGGTVYEQPVFETDTVDAIGTGDAFVGAFLSRLIAGEPVETALAYGAATAALKRTVHGDLAVVTPDEVERVLRGGDAGIDR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_23723ed579b05be4546284e4,test
catpreddb_km_km_900b24f9ab6a72,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.1739251972991736,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_9013da9e8120ae,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O,CCOC(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(C)=O>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_901799eb607591,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,Nc1ncnc2c1ccn2[C@@H]1O[C@H](COP(O)(O)=S)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ccn2[C@@H]1O[C@H](COP(O)(O)=S)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ccn2[C@@H]1O[C@H](COP(O)(O)=S)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_f28c949d1503440bae214094,test
catpreddb_km_km_90278d55353d0a,catpred_iteration1_km,km,D7BAR0,D7BAR0,MSSLTPELRQSILEHLGFLYGERAPAVLGRLEEICSGFPAQRREGGWSEKDALLITYGDQIHAEGEPPLQTLYDFLYERLRGVFSGVHLLPFYPSTSDDGFSVVDFQRVDPELGTWTDIRIIAQDFRLMADLVCNHVSASSPWFQGFLQDDPQYQGFFITVDPGTDLSTVFRPRALPLLTPFQTPSGEKLVWTTFSPDQTDLNYANPEVLLEVIEALLCYVRNGAGLIRLDAVGFIWKEIGTSCMHLEGAHRIVKLMRLVLDAVAPHVLLVSETNAPHRENISYFGNGHDEAQLVYQFPLPPLVMHTFRTGDASKLAGWAAGLTLPSERTTFFNFLASHDGIGVVPAGGILQPEEIAALVRQALEHGGRVNHKDTPDGPVPYELCLTLFDALSNPNSDEAEDLKIARFLAANVILLSLQGIPGVYIHSLFGSPSDHAGFEESGIPRRLNRHKFTKAELEERLADPASRAAKILAAYSHLLRVRSMHPAFHPNAPQRILPSTEVLRIVRGEGDQAVGCYINVTDRPQVVSRIGKNLITGQWFTGVLKPYQAAWIID,O=C(O)[C@H](O)CO,O=C(O)[C@H](O)CO,O=C(O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.414973347970818,,s_0058539aac40e33eed965c7c,test
catpreddb_km_km_9028becc9596b4,catpred_iteration1_km,km,D0VWQ1,D0VWQ1,MTATAETSTGTKVVLGQNQYGKAEVRLVKVTRNTARHEIQDLNVTSQLRGDFEAAHTAGDNAHVVATDTQKNTVYAFARDGFATTEEFLLRLGKHFTEGFDWVTGGRWAAQQFFWDRINDHDHAFSRNKSEVRTAVLEISGSEQAIVAGIEGLTVLKSTGSEFHGFPRDKYTTLQETTDRILATDVSARWRYNTVEVDFDAVYASVRGLLLKAFAETHSLALQQTMYEMGRAVIETHPEIDEIKMSLPNKHHFLVDLQPFGQDNPNEVFYAADRPYGLIEATIQREGSRADHPIWSNIAGFC,O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1,O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1,O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_9d7078522ed1e7f2001bf0e8,test
catpreddb_km_km_902a5fb322b86c,catpred_iteration1_km,km,A3MTM6,A3MTM6,MKKVERFEVPRTIIFGPGALEKTPEVIPPSGRVLIITGKSSTRKYAERVAELLKQNCEIISYDQVELEKPGFDLVIGIGGGRPLDMAKVYSYIHKKPFVAIPTSASHDGIASPYVSFSLTQRFSKYGKISSSPVAIIADTSIILSAPSRLLKAGIGDLLGKIIAVRDWQLAHRLKGEEYSEYAAHLSLTSYKIAVGNAQKIKNFIREEDVRVLVKALIGCGVAMGIAGSSRPCSGSEHLFAHAIEVRVEKEDEVVHGELVALGTIIMAYLHGINWRRIKRIADIIGLPTSLRQANIDVDLALEALTTAHTLRPDRYTILGDGLSREAAKRALEDVELI,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2336228105037511,,s_398e334dd7d54b01be4c4909,test
catpreddb_km_km_90363a38993194,catpred_iteration1_km,km,Q54530,Q54530,MNDHEVDVLVVGAGLGGLSTAMFLARQGVRVLVVERRPGLSPYPRAAGQNPRTMELLRIGGVADEVVRADDIRGTQGDFVIRLAESVRGEILRTVSESFDDMVAATEPCTPAGWAMLSQDKLEPILLAQARKHGGAIRFGTRLLSFRQHDDDAGAGVTARLAGPDGEYDLRAGYLVGADGNRSLVRESLGIGRYGHGTLTHMVGVIFDADLSGIMEPGTTGWYYLHHPEFKGTFGPTDRPDRHTLFVEYDPDEGERPEDFTPQRCVELIGLALDAPEVKPELVDIQGWEMAARIAERWREGRVFLAGDAAKVTPPTGGMSGNAAVADGFDLAWKLAAVLQGQAGAGLLDTYEDERKVAAELVVAEALAIYAQRMAPHMAEVWDKSVGYPETLLGFRYRSSAVLATDDDPARVENPLTPSGRPGFRGPHVLVSRHGERLSTVDLFGDGWTLLAGELGADWVAAAEAVSAELGVPVRAYRVGAGLTDPESAVSERYGIGKAGASLVRPDGIVAWRTDEAAADAAQTLEGVLRRVLDR,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_796ad3d29fed616a47407a61,test
catpreddb_km_km_9057e46aba26e4,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(O)C(=O)C(=O)[O-],CC(O)C(=O)C(=O)[O-],CC(O)C(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_907814466c937c,catpred_iteration1_km,km,P26150,P26150,MPGWSCLVTGAGGFLGQRIIQLLVQEKDLEEIRVLDKVFKPETREQFFNLGTSIKVTVLEGDILDTQYLRRACQGISVVIHTAAIIDVTGVIPRQTILDVNLKGTQNLLEACIQASVPAFIFSSSVDVAGPNSYKDIVLNGHEDEHRESTWSDPYPYSKKMAEKAVLAANGSMLKNGGTLQTCALRPMCIYGERSQFLSNTIIKALKNKFILRGGGKFSTANPVYVGNVAWAHILAARGLRNPKKSPNIQGEFYYISDDTPHQSYDDLNYTLSKEWGFCLNSRWYLPVPILYWLAFLLETVSFLLSPIYRYIPPFNRHLVTLTASTFTFSYKKAQRDLGYEPLVSWEEAKQKTSEWIGTLVEQHRETLDTKSQ,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.167491087293764,,s_5c7361b46f468ad26b6179a2,test
catpreddb_km_km_90793da06da808,catpred_iteration1_km,km,C0LNV1,C0LNV1,MEQQQEVITNKKVILKDYVVGFPKESDMILKTSETMTLKLPAGSNGLLVKNLYLSCDPYMRSRMTKTEGSYVESFTPGSPLTGYGVAKVLESGHANFKKGDLIWGFTGWEEYSIINAPEGLFKIEHTDVPLSYYTGILGMPGMTAYVGFYEICTPKKGEYVFVSAASGAVGQLVGQFAKLSGCYVVGSAGTKEKVDLLKNKFGFDEAFNYKEEQDLDAALKRYFPEGIDIYFENVGGRMLDAVLLNMRLDGRISVCGMISQYNLEQSEGVRNLFTLVTKRVTMKGFIVFDHYHKYPKYLEMIIPLIKNGTINYIEDIVEGLENAPAALIGLYSGKNVGKQVVVVAHE,CC(=O)/C=C/C1=C(C)CCCC1(C)C,CC(=O)/C=C/C1=C(C)CCCC1(C)C,CC(=O)/C=C/C1=C(C)CCCC1(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.2596373105057561,,s_40b21aa3607ab345d96e88b1,test
catpreddb_km_km_90b02c839fc819,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,OC[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0132282657337551,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_90d4659c6f3262,catpred_iteration1_km,km,A0A0N7IZL9,A0A0N7IZL9,MASTGLSSSLRPQVVVVGGGMAGVAAVQRLVQKGLTRVKILEARNRAGGRIWTQYLGSDTLEFGANWIHGTIGNPIYELAKQHGLLREEGRPEDLDRANVRELENEKFLMPGGKVIDEDVVDSCLQDYNEVIEECEAVFKEGRPSNPGDSAGDFLSREFRKQLASSNDIDAVKCTKMALLQHYLKMETCITGCHDMREESLEYFGQYRELEGDHYNNPSGYNAILDLILKTIPPDCIAYNKKVQCIRWREGKKRSESAHTVEVECEDGEVFSADHVIVTVPLGFLKKNCRTLFQPPLPEEKLASIERMGFGVVNKIFLTFEQPFWDTACEALHLVWDQDHSNSKAPEEWYKKMYVFYIDSKAPNTLLGWISGKEAEYMETLSEEEISNTFVSVLKKFMGREDIPKPVRTMITRWGSDALTCGSYSFIRVGEKGDDINTVAEPLYRDNTEVPLVQFAGEATHSEFFSTVHGAYLTGQREADRLVNLYASKQ,NCCCCNCCCN,NCCCCNCCCN,NCCCCNCCCN>>,public_strict_iteration1_fulltrue_msa,,-1.906578314837765,,s_489d4a95ff66de894e5f0c49,test
catpreddb_km_km_90d4f36be81611,catpred_iteration1_km,km,A0A0D7F0M8,A0A0D7F0M8,MNNSRHRTFYLVPVSREAGLTSMTLGLVRALQLTGVKVGFVKPIMQPEIRSGDLDLAAHFARTLCGVRTPDPIAFDHAAEMVRSGQLGGLMEEVVSMVDTVQADCDIVIVEGLIPDVEFQIATRLNIEIIRSLGADLIPVLAGGSHDAAALAAKAAAAAEQYGDDGRRPIAGLLINRCIDAAAALALTERGALTLNGSNPVPILAAVPSAAHLLAPHLIDIADTLGLTILNRGGIDTTRVLNVVVAARSPEKLIGTLRPETLVVTPADRSDAILATALVAQRGMALAGLVLTCGGRPAPELAAILASAPLDRLAVLCTDDDTFTTASKLANLSAHVSRADGDRMERVIAFIAEKVETRPLALRLDLPVETLMPPPVFRHRLVARARAALRRIVLPEGEEPRTIRAAAICADKRIARCILLGAPERIREVAAAHGIELPDNLEIVDAEQQRGRYVAPLVELRKAKGLTKLQAEIALEDSVVLGTMMLAQNDVDGLVSGAVHTTASTVRPALQLIKTAPGSSIVSSVFFMLMPDQVLVYGDCAINPDPTDHELAEIAIQSADSAAAFGIEPRVAMISYSTGASGAGEDVDKVRRATDKVRALRPDLIVDGPIQYDAATVASVGRQKAPGGPLDGRANVFVFPDLNTGNTTYKAVQRSANVVSVGPMLQGLRKPVNDLSRGALVDDIVYTIAITAIQAA,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_d81678ed710a644e8f39492c,test
catpreddb_km_km_90d5434b64b957,catpred_iteration1_km,km,Q5MY95,Q5MY95,MGLSRKEQVFLALLGASGVSGLTALILLLVEATSVLLPTDIKFGIVFDAGSSHTSLFLYQWLANKENGTGVVSQALACQVEGPGISSYTSNAAQAGESLQGCLEEALVLIPEAQHRKTPTFLGATAGMRLLSRKNSSQARDIFAAVTQVLGRSPVDFWGAELLAGQAEGAFGWITVNYGLGTLVKYSFTGEWIQPPEEMLVGALDMGGASTQITFVPGGPILDKSTQADFRLYGSDYSVYTHSYLCFGRDQMLSRLLVGLVQSRPAALLRHPCYLSGYQTTLALGPLYESPCVHATPPLSLPQNLTVEGTGNPGACVSAIRELFNFSSCQGQEDCAFDGVYQPPLRGQFYAFSNFYYTFHFLNLTSRQPLSTVNATIWEFCQRPWKLVEASYPGQDRWLRDYCASGLYILTLLHEGYGFSEETWPSLEFRKQAGGVDIGWTLGYMLNLTGMIPADAPAQWRAESYGVWVAKVVFMVLALVAVVGAALVQLFWLQD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.3042307523082917,,s_3f20c11685a86dff6e99cdf7,test
catpreddb_km_km_90f2845fdd8092,catpred_iteration1_km,km,Q2QC92,Q2QC92,MRLNKLTSLLKEKAFDGALISPGTNLYYLTSLHIHEAGERLTVLAVNSNGEYHLLAPSLYENVIRDFPATFWRDGENPYGKLAEILKELDLSSGRILVENTMRADWLIGILKLGSFEFHPLSILMRELRMRKDAEEIRLMEKAAKIVDEVFEEIIGMDLIGMREKDLALKIELLIRERSDGISFEPIVASGENGANPHHAPGERKLGEGDLVILDYGAKWEGYCSDITRTIALGKPDKKLLEIYEVVKNAQEGAFQTVREGLKAKEVDKAARNYIAEAGYGEYFTHRTGHGLGLDVHEEPYIGPDGEVILKNGMTFTIEPGIYVPGLGGVRIEDDVVVEGGKGRRLTKAPRELIIV,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,CSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0177287669604316,,s_bc3b343075da20da430c3082,test
catpreddb_km_km_90f5b68c97e38d,catpred_iteration1_km,km,P42785,P42785,MGRRALLLLLLSFLAPWATIALRPALRALGSLHLPTNPTSLPAVAKNYSVLYFQQKVDHFGFNTVKTFNQRYLVADKYWKKNGGSILFYTGNEGDIIWFCNNTGFMWDVAEELKAMLVFAEHRYYGESLPFGDNSFKDSRHLNFLTSEQALADFAELIKHLKRTIPGAENQPVIAIGGSYGGMLAAWFRMKYPHMVVGALAASAPIWQFEDLVPCGVFMKIVTTDFRKSGPHCSESIHRSWDAINRLSNTGSGLQWLTGALHLCSPLTSQDIQHLKDWISETWVNLAMVDYPYASNFLQPLPAWPIKVVCQYLKNPNVSDSLLLQNIFQALNVYYNYSGQVKCLNISETATSSLGTLGWSYQACTEVVMPFCTNGVDDMFEPHSWNLKELSDDCFQQWGVRPRPSWITTMYGGKNISSHTNIVFSNGELDPWSGGGVTKDITDTLVAVTISEGAHHLDLRTKNALDPMSVLLARSLEVRHMKNWIRDFYDSAGKQH,NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_8b3636c2da078c826d1a1418,test
catpreddb_km_km_9141c6f3cacd96,catpred_iteration1_km,km,D2RIQ3,D2RIQ3,MANTKGLKTGNEKDLWVYVEHYKGEPVHVVYELLGECRKLADKCNQKLAAVLITDDAKDVPSKLIARGADLVYVCQDPAFKYYSTDEYTNAFCEMIDEYQPSSVFIGATNDGRDLGPRIAARVNTGLCADCTILDAEEDGLIEWTRPAAGGNIMATILCKEHRPQMGTVRPKTFKAMEPDASRTGEVINYTLKNHVDDRVTCIRREEVVSEGEMAIDDAPFVCSGGRGMKAKENFSLLYDLAHALGGAVGGSRAAVDEGFIEHPRQVGQSGKTVTPKIYFACGISGSVQHKAGMSKSDTIVCINKDPDAPMFEISKYGIVGDALKILPLLTAKIKAFKES,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.8386319977650252,,s_441c4dbdcf8820627bf7fe3a,test
catpreddb_km_km_914212085fa479,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,NC(CCS)C(=O)O,NC(CCS)C(=O)O,NC(CCS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3106198662158573,,s_482422f32efc21500360d70c,test
catpreddb_km_km_9153027a32d731,catpred_iteration1_km,km,O46658,O46658,MGLLTGDLLGILALAMVIFLLLVDLMHRRSRWAPRYPPGPMPLPGLGNLLQVNFQDPRLSFIQLRRRFGDVFSLQQIWRPVVVLNGLAAVREALVSHSHETSDRPPVFILEHLGYGPRSEGVILARYGKAWREQRRFSVSTLRNFGLGKKSLEEWVTQEASCLCAAFADQAGRPFSPNNLLNKAVSNVIASLTFARRFEYNDPRMLKLLDLVLEGLKEEVGLMRQVLEAMPVLRHIPGLCAKLFPRQKAFLVMIDELITEHKMTRDLAQPPRDLTDAFLDEMKEAKGNPESSFNDENLRLVVAHLFSAGMITTSTTLAWALLLMILHPDVQRRVQQEIDEVIGHVRQPEIKDQALMPFTLAVLHEVQRFGDIVPLGVAHMTSCDIEVQGFLIPKGTTLITNLTSVLKDETVWKKPFRFYPEHFLDAQGRFTKQEAFMPFSAGRRSCLGEPLARMELFLFFTTLLQAFSFSVPTGQPCPSDHGVFAFLLFPSPYQLCAVPR,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12,CCc1cccc2cc(C(O)CNC(C)(C)C)oc12>>,public_strict_iteration1_fulltrue_msa,,-2.853871964321762,,s_41602ac954bd7960f8b7c8d6,test
catpreddb_km_km_915b2a6e204193,catpred_iteration1_km,km,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1668528880872149,,s_85471f35fb7860385479be86,test
catpreddb_km_km_915db08eada4d9,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_9165bbb3df0c7e,catpred_iteration1_km,km,Q8I6T2,Q8I6T2,MGKHIRILKNQYLQFMSKRCIQSKAAFNICGKINVENPIVELDGDEMTRIIWKDIKEKLILPYVNLKIKYFDLSIENRDKTNDQVTIEAAEEIKKTSVGIKCATITPDAARVKEFNLKEMWKSPNGTIRNILDGTVFRTPILIKNIPKLVPNWKKPIVIGRHAYADQYKQKSLKIEKSGKFEIVFTPDDNSQVLRETVFHFKSPGVCLGMYNTEESIRNFALSCFQYALDLKMPVYMSTKSTILKIYDGLFKDIFDEIYEKQFKKSFEQHNLWYEHKLIDDMVAQVLKSEGGFLWACKNYDGDIQSDAVAQGYGSLGLMSSVLLCPDGVTCVSEAAHGTVTRHYRAYQKGEKTSTNPIASIFAWTKGLEHRAKLDKNDNLKQFCYALEKACIETVEDGLMSKDLAGCIKGIKNVTEKDYIFTQDLINAINEKLKLKILQNQSKNDPQATSYKLKNDNWNFYAPQEHST,[Mn+2],[Mn+2],[Mn+2]>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_b3ad33c11b0f353dcc833904,test
catpreddb_km_km_9167566fe33458,catpred_iteration1_km,km,A0A514TRK5,A0A514TRK5,MANERVELRIYNSMTQQKEIFNPKVPGKVSMYVCGVTAYDYSHIGHARAAVSFDILFRYLKHLGYEVTYVRNFTDVDDKIIKRANETGEDPLALSNRFCEEYNVDMSDLLCERPTKEPRVSDHIGEIKDMITQIINNDYGYEVNGDVFYAVEKCPNYGILSGQRLEHNRAGERVAVDSRKRHPADFALWKAAKPGEPSWDSPWGPGRPGWHIECSAMSACYLTHKFDIHGGGIDLIFPHNENEVAQSWAADKESHISYWMHNGHVTNNNEKMSKSLGNFFTIRQITERYHPLALRHFLISAHYKSPLNYSIAQLESSSDAVYYIFQTLQDCKDALAPLVQGETEKKEKINEAAKDCIKKLSVEFQTKMSDDLQTPVILTGSLQDALKLVNSSLKMLKKKLQRRAQLQLVESLLEVEKEIGKILNVLGLLSTKSYAEIPQESKEKALKRAGLVEDDVLHLIEERSQARINKDFARSDKVRTDLTAKGIALMDVGNETVWRPCIPSEPLVAQPVQTENKATKVEEKLAIVGEGNGPETST,CCC(N)C(=O)O,CCC(N)C(=O)O,CCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0,,s_2c4856224f26ad6ba1eb3878,test
catpreddb_km_km_916f7a48319d0e,catpred_iteration1_km,km,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,CC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O,CC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O,CC(=O)[C@@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9427578487822564,,s_27015adbfee76024dda17db7,test
catpreddb_km_km_917e028695948e,catpred_iteration1_km,km,Q5SLE7,Q5SLE7,MKVGQDKVVTIRYTLQVEGEVLDQGELSYLHGHRNLIPGLEEALEGREEGEAFQAHVPAEKAYGPHDPEGVQVVPLSAFPEDAEVVPGAQFYAQDMEGNPMPLTVVAVEGEEVTVDFNHPLAGKDLDFQVEVVKVREATPEELLHGHAH,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=NCC(O)=N[C@@H](C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=NCC(O)=N[C@@H](C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@H](CCSC)N=C(O)[C@H](CCCCN)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=NCC(O)=N[C@@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_0202bcacba46c345e8a51a1e,test
catpreddb_km_km_918fb150a39900,catpred_iteration1_km,km,P18644,P18644,MTELDTIANPSDPAVQRIIDVTKPSRSNIKTTLIEDVEPLMHSIAAGVEFIEVYGSDSSPFPSELLDLCGRQNIPVRLIDSSIVNQLFKGERKAKTFGIARVPRPARFGDIASRRGDVVVLDGVKIVGNIGAIVRTSLALGASGIILVDSDITSIADRRLQRASRGYVFSLPVVLSGREEAIAFIRDSGMQLMTLKADGDISVKELGDNPDRLALLFGSEKGGPSDLFEEASSASVSIPMMSQTESLNVSVSLGIALHERIDRNLAANR,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9119543704721592,,s_6b7cdabb9885f397fbe2ea76,test
catpreddb_km_km_91c0f6a54c4101,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.2070360268259465,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_91cf9540fe4182,catpred_iteration1_km,km,Q4J8K9,Q4J8K9,MAKIYTDKDVSLDVIKEKRVAVLGYGSQGRAWALNLRDSGIKVSVGLEREGNSWKQAENDGFKPLRTEEAVRNSDIIIFLLPDMIQRTVYLERVKPYLKEGMDLVFAHGFNIHYRLIEPPSNVDVYMIAPKAPGPIVREYFAKGGGVPALVATYQDHSGKALQKALAVAKAIGATRAGVIETTFKEETETDLFGEQVDLVGGVMQLMRYAFQTLVEAGYQPEVAYFETINEMKLIVDLVYEKGFSGMLTAVSDTAKYGGMTVGKMVIDESVKERMKKALDNIRSGKFAEKWVEEYGKGANTIKEGMKEVDNSTEEKVGRSLRDIILRGKPKS,CC(=O)[C@](C)(O)C(=O)O,CC(=O)[C@](C)(O)C(=O)O,CC(=O)[C@](C)(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8751195712523226,,s_10a36b526837be63a11d1b7f,test
catpreddb_km_km_91da698d4e7272,catpred_iteration1_km,km,Q3SEZ6,Q3SEZ6,MSKLVRPHGGGELKPLLLTGDALSAEKARAASLPQLKMSSRETGDLIMMGIGGFTPLDGFMTKSDWQGVCDGYKMTNGLFWPIPITLSTDDESIKDGDELALVDAETGEIMGTMKVTDKYTIDKAHECMQVYKTTDMEHPGVKMVMAQGKYNLAGPVKVLSTGNFKEEYGEQFMTPAETRAKFEQMGWSRVAAFQTRNPMHRSHEYLAKIAIETMDGVLVHSLLGALKPGDIPAEVRSEAIATLIDNYFAPNTVIQAGYPLDMRYAGPREALLHALFRQNYGCSHLIVGRDHAGVGDYYGPFDAQKIFDEIPKGSLETVNMNIDWTFWCKKCGGMASQRTCPHTKDDRILLSGTKVRAMLSEGQDLPVEFSRPEVAKVLQKYYAGLSAEQNVKVELKGHSAA,Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2],Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2],Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,-0.1079053973095195,,s_a2d3076d9d34a37b59469d1b,test
catpreddb_km_km_91e5b389d9592d,catpred_iteration1_km,km,P08077,P08077,MSSSDHIHVPDGLAESYSRSGGEEGRAWIAGLPALVARCVDRWELKRDGGVRSGEASLVVPVLRADGTRAALKLQMPREETTAALIGLRAWGGDGMVRLLDHDEESSTMLLERLDGSRTLASVEDDDEAMGVLAGLLNRLHSVPAPPGLRGLGEIAGAMVEEVPSAVDSLADPEDRSRLRGWASAVAELVGEPGDRVLHWDLHYENVLAAEREPWLAIDPEPLVGDPGFDLWPALDTGWERIEATGDARRVVRRRFDLLTESLELDRGRAAGWTLARLLQNTLWDIEDGLTAIAPSQIAVAEALAKP,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_22acfffc40458a5bd935a5a3,test
catpreddb_km_km_91eff41b4ca0b1,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0253058652647702,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_91f4ad8ddecc39,catpred_iteration1_km,km,P05156,P05156,MKLLHVFLLFLCFHLRFCKVTYTSQEDLVEKKCLAKKYTHLSCDKVFCQPWQRCIEGTCVCKLPYQCPKNGTAVCATNRRSFPTYCQQKSLECLHPGTKFLNNGTCTAEGKFSVSLKHGNTDSEGIVEVKLVDQDKTMFICKSSWSMREANVACLDLGFQQGADTQRRFKLSDLSINSTECLHVHCRGLETSLAECTFTKRRTMGYQDFADVVCYTQKADSPMDDFFQCVNGKYISQMKACDGINDCGDQSDELCCKACQGKGFHCKSGVCIPSQYQCNGEVDCITGEDEVGCAGFASVTQEETEILTADMDAERRRIKSLLPKLSCGVKNRMHIRRKRIVGGKRAQLGDLPWQVAIKDASGITCGGIYIGGCWILTAAHCLRASKTHRYQIWTTVVDWIHPDLKRIVIEYVDRIIFHENYNAGTYQNDIALIEMKKDGNKKDCELPRSIPACVPWSPYLFQPNDTCIVSGWGREKDNERVFSLQWGEVKLISNCSKFYGNRFYEKEMECAGTYDGSIDACKGDSGGPLVCMDANNVTYVWGVVSWGENCGKPEFPGVYTKVANYFDWISYHVGRPFISQYNV,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCc3ccccc3)N=C(O)OC(C)(C)C)ccc21,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCc3ccccc3)N=C(O)OC(C)(C)C)ccc21,CC1=CCOc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)OCc3ccccc3)N=C(O)OC(C)(C)C)ccc21>>,public_strict_iteration1_fulltrue_msa,,-1.8356471442155624,,s_6223f0030719fea346ff18df,test
catpreddb_km_km_928ccb8f18188f,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCCC[C@H](N)C(=O)O,CCCC[C@H](N)C(=O)O,CCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_92b3029dbdb93b,catpred_iteration1_km,km,D4N500,D4N500,MEKAKLMKLGNGMEIPSVQELAKLTLAEIPSRYVCANENLLLPMGASVINDHETIPVIDIENLLSPEPIIGKLELDRLHFACKEWGFFQVVNHGVDASLVDSVKSEIQGFFNLSMDEKTKYEQEDGDVEGFGQGFIESEDQTLDWADIFMMFTLPLHLRKPHLFSKLPVPLRETIESYSSEMKKLSMVLFNKMEKALQVQAAEIKGMSEVFIDGTQAMRMNYYPPCPQPNLAIGLTSHSDFGGLTILLQINEVEGLQIKREGTWIAVKPLPNAFVVNVGDILEIMTNGIYHSVDHRAVVNSTNERLSIATFHDPSLESVIGPISSLITPETPALFKSGSTYGDLVEECKTRKLDGKSFLDSMRI,COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5,COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5,COC1=CC=C2C3Cc4ccc(OC)c5c4C2(CCN3C)C1O5>>,public_strict_iteration1_fulltrue_msa,,-1.6925039620867872,,s_e36fe41b61be86b8015e2b49,test
catpreddb_km_km_92c277b19395cb,catpred_iteration1_km,km,Q7WT42,Q7WT42,MAKKDEKSHKNAPLIGIDIGGTGIKGGIVDLKKGKLLGERFRVPTPQPATPESVAEAVALVVAELSARPEAPAAGSPVGVTFPGIIQHGVVHSAANVDKSWLNTDIDALLTARLGRPVEVINDADAAGLAEARYGAGAGVKGTVLVITLGTGIGSAFIFDGKLVPNAELGHLEIDGHDAETKASAVARERDGLSWDEYSVLLQRYFSHVEFLFSPELFIVGGGISKRADEYLPNLRLRTPIVPAVLRNEAGIVGAAIEIALQHKLAK,O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1,O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1,O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_c93f37d836e08bd4e4249043,test
catpreddb_km_km_92c76dad412d51,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1,N#CC(OC1OC(CO)C(O)C(O)C1O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.7656685547590141,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_92e224ebe693df,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_92f02e55affccb,catpred_iteration1_km,km,A0A144KBQ0,A0A144KBQ0,WLNDPNGLVYYAGEYHLFYQYHPYGLQWGPMHWGHAVSKDLVTWEHLPVALYPDEKGTIFSGSAVVDKNNTSGFQTGKEKPLVAIYTQDREGHQVQSIAYSNDKGRTWTKYAGNPVIPNPGKKDFRDPKVFWYEKEKKWVMVLAAGDRILIYTSKNLKQWTYASEFGQDQGSHDGEWECP,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.3580016718173995,,s_bf770e8586b37ea66097b860,test
catpreddb_km_km_92f7486e3dd3fb,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.5075256814950988,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_93211f197ddfd9,catpred_iteration1_km,km,W8VZ54,W8VZ54,MTSYDYDYVVIGGGSGGMASSKEAARLGARVALFDFVKPSTQGTKWGLGGTCVNVGCVPKKLMHYAGLLGAGLHDARHFGWRLGEPTHDWTALRTAVQNHVKSLNFGYRNGLRSAKVNYLNQLARFADPHTVEYTEKDGSVKRLTAAHICISVGGRPIIPTDVPGAVEHAITSDDIFALKNAPGRTLVVGASYIALECAGFLNELGYDVTVAVRSIVLRGFDRQCSEKVASLMADIGVKFKYGPLPTKIEKADGQLHVTFSDGTVDTYQTVLYATGRYADTGGLALENAGVVVGKNGKIPVINEVTNVPHIYAVGDIVEGGLELTPVAIRAGELLARRLFAGATEQMDYVNVPTAVFTPFEYGCVGYTEEAAIAKYGEENIETYLFEFASLELGAAHRSKVPARRADEFDDALPLPCLSKLVCLKPEGERVVGFHYVGPNAGEVTQGFALAVILGATKKDFNKVIGIHPTDAESFTALDITRASGQPFAASGGCGGGKCG,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.2518119729938,,s_e77e91408a71927ee8058d29,test
catpreddb_km_km_9321944d552f55,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_934d9dffed12d1,catpred_iteration1_km,km,W0NUN5,W0NUN5,MSDSDLEFDVIVAGSGGGLAGAYTAARENLSVLLVEATDLFGGTTSFSGGGGMWFPCNPVLQRAGTDDTIDKALTYFHAVVGERTPRELQDAYVRGGAKLIEYLEQDPAFEFTALPWPDYYGTAPEARTDGYRHTIPLPVPDAALGKYAGLVRGPLDTERLGAEAPDLLVGGRALVGRFLAALDKLPTVTCWLNAPLVDLITENGRVVGAVIERDGAPVRVTTRRGVLLASGGFEQNAEMRAEYGVPGHATDSMGGPGSTGRAHRAAIAVGADVDLMDQAWWSPGMTHPDGRSAFALWFTGGIFVNQQGRRFVNESAPYDRIGRDIIDQMQNGSTRLPFWMIYDNRDGDIPPVKATNVSMVEPEKYRTAGLWHSADTLAELAGAIGVPAAELEATVARYNELAATGIDDDFGRGGEAYDRAFSGGESPMVPLDTPPYHAAVFGLSDLGTKGGLRTDTHARVLDADGAAIPGLYAAGNTMAAVSGTTYPGGGNPIGASMLFSHLAALDMATQSSAE,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-1.0705810742857071,,s_6bc252860d9260b321c64968,test
catpreddb_km_km_937f194b36376b,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.6232492903979004,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_93879b1c003544,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,0.9047155452786808,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_93a3970f56625c,catpred_iteration1_km,km,B8A2V8,B8A2V8,MRAAAAATSTAAALLAPGLKLCAGGARARVSCPSRSRLPLHRIAAMASAPNPSFRPEEARSPPALELPTPPLSKFKVALCQLSVTADKNRNIAHARAAIEKAASEGAKLVLLPEIWNGPYSNDSFPEYAEDIEAGGDAAPSFSMMSEVARILQVTLVGGSIAERSGNNLYNTCCIFGSDGKLKGKHRKIHLFDIDIPGKITFKESKTLTAGQNPTVVDTDVGRIGIGICYDIRFQELAMLYAARGAHLLCYPGAFNMTTGPLHWELLQRARATDNQLFVATCGPARDTSAGYVAWGHSTLVGPFGEVIATTEHEEATIIAEIDYSLIEQRRQFLPLQHQRRGDLYQLVDVQRLGSH,N=C([O-])CCC(=O)C(=O)O,N=C([O-])CCC(=O)C(=O)O,N=C([O-])CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.725094521081469,,s_5b1cfd727d1f08054e43c983,test
catpreddb_km_km_93b0ca33a6bb85,catpred_iteration1_km,km,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O,N=C(O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_km_km_93bf6e2abee3f2,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)nc1O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)nc1O,Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-2.0315170514460648,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_93c5d14e710ea5,catpred_iteration1_km,km,Q70FD1,Q70FD1,MTDYIPTFRFDGHLTIVTGACGGLAEALIKGLLAYGSDIALLDIDQEKTAAKQAEYHKYATEELKLKEVPKMGSYACDISDSDTVHKVFAQVAKDFGKLPLHLVNTAGYCENFPCEDYPAKNAEKMVKVNLLGSLYVSQAFAKPLIKEGIKGASVVLIGSMSGAIVNDPQNQVVYNMSKAGVIHLAKTLACEWAKYNIRVNSLNPGYIYGPLTKNVINGNEELYNRWISGIPQQRMSEPKEYIGAVLYLLSESAASYTTGASLLVDGGFTSW,OC[C@@H](O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@H](O)[C@@H](O)CO,OC[C@@H](O)[C@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.8573324964312685,,s_a843d0660fbde59f70dcb9df,test
catpreddb_km_km_93cb7caf1dd274,catpred_iteration1_km,km,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.1018235165023234,,s_156ab3956782e3458257c298,test
catpreddb_km_km_93f77631ed579c,catpred_iteration1_km,km,Q39735,Q39735,MMSSLSVEGMLLKSARESCLPARVNQRRNGDLRRLNHHRQSSFVRCLTPARVSRPELRSSGLTPPRAVLNPVSPPVTTAKKRVFTFGKGRSEGNRDMKSLLGGKGANLAEMSSIGLSVPPGLTISTEACEEYQQNGKSLPPGLWDEISEGLDYVQKEMSASLGDPSKPLPLSVRSGAAISMPGMMDTVLNLGLNDEVVAGLAGKSGARFAYDSYRRFLDMFGNVVMGIPHSLFDEKLEQMKAEKGIHLDTDLTAADLKDLVEKYKNVYVEAKGEKFPTDPKKQLELAVNAVFDSWDSPRANKYRSINQITGLKGTAVNIQSMVFGNMGNTSGTGVLFTRNPSTGEKKLYGEFLINAQGEDVVAGIRTPEDLGTMETCMPDAYKELVENCEILEGHYKDMMDIEFTVQENRLWMLQCRTGKRTGKGAVRIAVDMVNEWLIDTRTAIKRVETQHLDQLLHPQFEDPSAYKSHVVATGLPASPGAAVGQVCFSAEDAETWHAQGKSAILVRTETSPEDVGGMHAAAGILTARGGMTSHAAVVARGWGKCCVSGCADIRVNDDMKIFTIGDRVIKEGDWLSLNGTTGEVILGKQLLAPPAMSNDLEIFMSWADQARRLKVMANADTPNDALTARNNGAQGIGLCRTEHMFFASDERIKAVRKMIMAVTPEQRKVALDLLLPYQRSDFEGIFRAMDGLPVTIRLLDPPLHEFLPEGDLEHIVNELAVDTGMSADEIYSKIENLSEVNPMLGFRGCRLGISYPELTEMQVRAIFQAAVSMTNQGVTVIPEIMVPLVGTPQELRHQISVIRGVAANVFAEMGVTLEYKVGTMIEIPRAALIAEEIGKEADFFSFGTNDLTQMTFGYSRDDVGKFLQIYLAQGILQHDPFEVIDQKGVGQLIKMATEKGRAANPNLKVGICGEHGGEPSSVAFFDGVGLDYVSCSPFRVPIARLAAAQVIV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_8b7789b9714f3d22bb6addc3,test
catpreddb_km_km_93f91e3d60fd57,catpred_iteration1_km,km,A8JC04,A8JC04,MALSMKMRANARVVSGRRVAAVAPRVVPFSSASSSVLRSGFAAEVSVDIRRVGRSRIVVEAVKKSVGDLHKADLEGKRVFVRADLNVPLDKATLAITDDTRIRAAVPTLKYLLDNGAKVLLTSHLGRPKGGPEDKYRLTPVVARLSELLGKPVTKVDDCIGPEVEKAVGAMKNGELLLLENVRFYKEEEKNEPEFAKKLAANADLYVNDAFGTAHRAHASTEGVTKFLKPSVAGFLLQKELDYLDGAVSNPKRPFVAIVGGSKVSSKITVIEALMEKCDKIIIGGGMIFTFYKARGLKVGSSLVEDDKIELAKKLEEMAKAKGVQLLLPTDVVVADKFDANANTQTVPITAIPDGWMGLDIGPDSVKTFNDALADAKTVVWNGPMGVFEFPKFANGTVSIANTLAGLTPKGCITIIGGGDSVAAVEQAGVAEKMSHISTGGGASLELLEGKVLPGVAALDEK,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4438651157913647,,s_90cbec80030d9ce30a6d37c5,test
catpreddb_km_km_9403f63af9d0fa,catpred_iteration1_km,km,A0A6A5Q0M3,A0A6A5Q0M3,MGSDRSCVLSVFQTILKLVIFVAIFGAAISSRLFAVIKFESIIHEFDPWFNYRATKYLVNNSFYKFLNWFDDRTWYPLGRVTGGTLYPGLMTTSAFIWHALRNWLGLPIDIRNVCVLFAPLFSGVTAWATYEFTKEIKDASAGLLAAGFIAIVPGYISRSVAGSYDNEAIAITLLMVTFMFWIKAQKTGSIMHATCAALFYFYMVSAWGGYVFITNLIPLHVFLLILMGRYSSKLYSAYTTWYAIGTVASMQIPFVGFLPIRSNDHMAALGVFGLIQIVAFGDFVKGQISTAKFKVIMMVSLFLILVLGVVGLSALTYMGLIAPWTGRFYSLWDTNYAKIHIPIIASVSEHQPVSWPAFFFDTHFLIWLFPAGVFLLFLDLKDEHVFVIAYSVLCSYFAGVMVRLMLTLTPVICVSAAVALSKIFDIYLDFKTSDRKYAIKPAALLAKLIVSGSFIFYLYLFVFHSTWVTRTAYSSPSVVLPSQTPDGKLALIDDFREAYYWLRMNSDEDSKVAAWWDYGYQIGGMADRTTLVDNNTWNNTHIAIVGKAMASPEEKSYEILKEHDVDYVLVIFGGLIGFGGDDINKFLWMIRISEGIWPEEIKERDFYTAEGEYRVDARASETMRNSLLYKMSYKDFPQLFNGGQATDRVRQQMITPLDVPPLDYFDEVFTSENWMVRIYQLKKDDAQGRTLRDVGELTRSSTKTRRSIKRPELGLRV,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-1.5016894462103996,,s_942b39c1db7ad79494e440b9,test
catpreddb_km_km_941a8baabcfde1,catpred_iteration1_km,km,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,OC1CCOc2ccccc21,OC1CCOc2ccccc21,OC1CCOc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_9423701891a5bc,catpred_iteration1_km,km,Q8TCT0,Q8TCT0,MGATGAAEPLQSVLWVKQQRCAVSLEPARALLRWWRSPGPGAGAPGADACSVPVSEIIAVEETDVHGKHQGSGKWQKMEKPYAFTVHCVKRARRHRWKWAQVTFWCPEEQLCHLWLQTLREMLEKLTSRPKHLLVFINPFGGKGQGKRIYERKVAPLFTLASITTDIIVTEHANQAKETLYEINIDKYDGIVCVGGDGMFSEVLHGLIGRTQRSAGVDQNHPRAVLVPSSLRIGIIPAGSTDCVCYSTVGTSDAETSALHIVVGDSLAMDVSSVHHNSTLLRYSVSLLGYGFYGDIIKDSEKKRWLGLARYDFSGLKTFLSHHCYEGTVSFLPAQHTVGSPRDRKPCRAGCFVCRQSKQQLEEEQKKALYGLEAAEDVEEWQVVCGKFLAINATNMSCACRRSPRGLSPAAHLGDGSSDLILIRKCSRFNFLRFLIRHTNQQDQFDFTFVEVYRVKKFQFTSKHMEDEDSDLKEGGKKRFGHICSSHPSCCCTVSNSSWNCDGEVLHSPAIEVRVHCQLVRLFARGIEENPKPDSHS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.138384349079858,,s_b1b54eb27787779c9e44bed0,test
catpreddb_km_km_942803f8fe075b,catpred_iteration1_km,km,P78417,P78417,MSGESARSLGKGSAPPGPVPEGSIRIYSMRFCPFAERTRLVLKAKGIRHEVININLKNKPEWFFKKNPFGLVPVLENSQGQLIYESAITCEYLDEAYPGKKLLPDDPYEKACQKMILELFSKVPSLVGSFIRSQNKEDYAGLKEEFRKEFTKLEEVLTNKKTTFFGGNSISMIDYLIWPWFERLEAMKLNECVDHTPKLKLWMAAMKEDPTVSALLTSEKDWQGFLELYLQNSPEACDYGL,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_ea67d971c2ad6ec7530d5905,test
catpreddb_km_km_94395868a6a8b6,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,CC(O)CC(=O)[O-],CC(O)CC(=O)[O-],CC(O)CC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.0969100130080565,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_943d8940ffcaa5,catpred_iteration1_km,km,P07170,P07170,MSSSESIRMVLIGPPGAGKGTQAPNLQERFHAAHLATGDMLRSQIAKGTQLGLEAKKIMDQGGLVSDDIMVNMIKDELTNNPACKNGFILDGFPRTIPQAEKLDQMLKEQGTPLEKAIELKVDDELLVARITGRLIHPASGRSYHKIFNPPKEDMKDDVTGEALVQRSDDNADALKKRLAAYHAQTEPIVDFYKKTGIWAGVDASQPPATVWADILNKLGKD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_1f23c381ca08eaa47156ef8e,test
catpreddb_km_km_944871a684ffbc,catpred_iteration1_km,km,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCCc1ccccc1,NCCc1ccccc1,NCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.2839966563652008,,s_7b85f430e37427f09efb431e,test
catpreddb_km_km_945bb0d2b5a1f8,catpred_iteration1_km,km,P11032,P11032,MRNASGPRGPSLATLLFLLLIPEGGCERIIGGDTVVPHSRPYMALLKLSSNTICAGALIEKNWVLTAAHCNVGKRSKFILGAHSINKEPEQQILTVKKAFPYPCYDEYTREGDLQLVRLKKKATVNRNVAILHLPKKGDDVKPGTRCRVAGWGRFGNKSAPSETLREVNITVIDRKICNDEKHYNFHPVIGLNMICAGDLRGGKDSCNGDSGSPLLCDGILRGITSFGGEKCGDRRWPGVYTFLSDKHLNWIKKIMKGSV,N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1,N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1,N=C(N)NCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.5016894462103995,,s_2717a1dc500e71829f5ad886,test
catpreddb_km_km_94650acb365bbc,catpred_iteration1_km,km,P60472,P60472,MMLSATQPLSEKLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRERRFGGTEPGDETA,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.1974819823458613,,s_6db7608dd527a3a642114dbe,test
catpreddb_km_km_946c5bba7fc974,catpred_iteration1_km,km,P27306,P27306,MPHSYDYDAIVIGSGPGGEGAAMGLVKQGARVAVIERYQNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDHSRLLRSSFADILNHADNVINQQTRMRQGFYERNHCEILQGNARFVDEHTLALDCPDGSVETLTAEKFVIACGSRPYHPTDVDFTHPRIYDSDSILSMHHEPRHVLIYGAGVIGCEYASIFRGMDVKVDLINTRDRLLAFLDQEMSDSLSYHFWNSGVVIRHNEEYEKIEGCDDGVIMHLKSGKKLKADCLLYANGRTGNTDSLALQNIGLETDSRGQLKVNSMYQTAQPHVYAVGDVIGYPSLASAAYDQGRIAAQALVKGEATAHLIEDIPTGIYTIPEISSVGKTEQQLTAMKVPYEVGRAQFKHLARAQIVGMNVGTLKILFHRETKEILGIHCFGERAAEIIHIGQAIMEQKGGGNTIEYFVNTTFNYPTMAEAYRVAALNGLNRLF,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C([S-])c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.8754957751657177,,s_7070fe747b7f5a0a85ee64cc,test
catpreddb_km_km_947cbad73d5fea,catpred_iteration1_km,km,P52196,P52196,MVHQVLYRALVSTKWLAESIRSGRLGPSLRVLDASWYSPGTRQARKEYQERHVPGASFFDIEECRDTTSPYEMMLPSEAHFGDYVGNLGISNDTHVVVYDGDDLGSFYAPRVWWMFRVFGHRTVSVLNGGFRNWLKEGHPVTSEPSRPEPAVFKATLNLSLLKTYEQVLENLQSKRFQLVDSRAQGRYLGTQPEPDIVGLDSGHIRGSVNMPFMDFLTKDGFEKSPEELRAIFQDKKVDLSQPLIATCRKGVTACHVALAAYLCGKPDVAVYDGSWSEWFRRAPPETRVSQGKSGKA,C#N,C#N,C#N>>,public_strict_iteration1_fulltrue_msa,,0.5127144066842666,,s_a150731891839dd7a59cb2dd,test
catpreddb_km_km_947d6a6fba51f7,catpred_iteration1_km,km,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8C(=O)O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8C(=O)O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O[C@@H]8[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]8C(=O)O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_km_km_947ec4f9178aab,catpred_iteration1_km,km,Q97UL6,Q97UL6,MIKVSAPGKILWIGSYSVVFGGISHVIAVNKRVSCSLREIKEKDSLIFHTSYGHFKNSGNELINSVLDTFRERLSQLPQGYEIDLYNDKEFIIDGKKTGLGSSSAATVSLTACLYYAIHGKLDLFEIHKLAQIANYKRQKGIGSGFDIASAVFGSIVYKRFTDLDKMDFYFEKLNLGNYDMMLGFTGKSSETVGLVRKFVEKSNLDDFKEIMRLIDEENYMAIKLIKLNKLDEAVEHIKLGRKYLNYIAERIVGVKLVSKMEEELIKIAEEEGALVALSPGAGGGDSIFALGNDLNRVREAWSKRGIFIIDVKEDEGLRLESN,CC(O)(CCOP(=O)(O)O)CC(=O)O,CC(O)(CCOP(=O)(O)O)CC(=O)O,CC(O)(CCOP(=O)(O)O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1135092748275182,,s_efcb69b26de75dc164a59890,test
catpreddb_km_km_948cee9beaacaf,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.478090877378904,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_948daa493f9872,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_94b64f52b3d1bd,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_94c16524a0637e,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(N)C(O)C(C)O1>>,public_strict_iteration1_fulltrue_msa,,-0.5512936800949201,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_94c99dd0c7de17,catpred_iteration1_km,km,A8B3A8,A8B3A8,MAARRFCVGGNWKMHGSKNSIRDICNTLKGASLDPNVEVIVACPAPYLDYCRSLLPPSVALAAQNCYKVEQGAFTGEISPGMIKDCGGQWVILGHSERRHVFKEDDVLIGEKIKHALESGLNVIACIGELLEDREAGRTEEVCFRQIKHIASNVKDWSKVVIAYEPVWAIGTGKTATPDQAQEVHSKVRNWLSTNVSADVASKVRIQYGGSVNAGNCKELGRKPDIDGFLVGGASLKPEFVQIINAMQG,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3279021420642826,,s_97fa060b66615af3e2ef4d7f,test
catpreddb_km_km_94dd78797818fc,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.6363880201078557,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_94df10fe3157da,catpred_iteration1_km,km,P15104,P15104,MTTSASSHLNKGIKQVYMSLPQGEKVQAMYIWIDGTGEGLRCKTRTLDSEPKCVEELPEWNFDGSSTLQSEGSNSDMYLVPAAMFRDPFRKDPNKLVLCEVFKYNRRPAETNLRHTCKRIMDMVSNQHPWFGMEQEYTLMGTDGHPFGWPSNGFPGPQGPYYCGVGADRAYGRDIVEAHYRACLYAGVKIAGTNAEVMPAQWEFQIGPCEGISMGDHLWVARFILHRVCEDFGVIATFDPKPIPGNWNGAGCHTNFSTKAMREENGLKYIEEAIEKLSKRHQYHIRAYDPKGGLDNARRLTGFHETSNINDFSAGVANRSASIRIPRTVGQEKKGYFEDRRPSANCDPFSVTEALIRTCLLNETGDEPFQYKN,NC(=O)CCC(N)C(=O)O,NC(=O)CCC(N)C(=O)O,NC(=O)CCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.252574989159953,,s_2cb18ae9f49e0df3ed81a30e,test
catpreddb_km_km_94f187f6b1c3cd,catpred_iteration1_km,km,Q836J0,Q836J0,MSNQEAIGLIDSGVGGLTVLKEALKQLPNERLIYLGDTARCPYGPRPAEQVVQFTWEMADFLLKKRIKMLVIACNTATAVALEEIKAALPIPVVGVILPGARAAVKVTKNNKIGVIGTLGTIKSASYEIAIKSKAPTIEVTSLDCPKFVPIVESNQYRSSVAKKIVAETLQALQLKGLDTLILGCTHYPLLRPVIQNVMGSHVTLIDSGAETVGEVSMLLDYFDIAHTPEAPTQPHEFYTTGSAKMFEEIASSWLGIENLKAQQIHLGGNEND,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2614393726401688,,s_c9316230a2616584bb52b9c9,test
catpreddb_km_km_95035fec0b4fb9,catpred_iteration1_km,km,V5M269,V5M269,MTGLGVMVVMVGFLAIASLQSESRPCDTPDLGFQCGTAISHFWGQYSPYFSVPSELDASIPDDCEVTFAQVLSRHGARAPTLKRAASYVDLIDRIHHGAISYGPGYEFLRTYDYTLGADELTRTGQQQMVNSGIKFYRRYRALARKSIPFVRTAGQDRVVHSAENFTQGFHSALLADRGSTVRPTLPYDMVVIPETAGANNTLHNDLCTAFEEGPYSTIGDDAQDTYLSTFAGPITARVNANLPGANLTDADTVALMDLCPFETVASSSSDPATADAGGGNGRPLSPFCRLFSESEWRAYDYLQSVGKWYGYGPGNPLGPTQGVGFVNELLARLAGVPVRDGTSTNRTLDGDPRTFPLGRPLYADFSHDNDMMGVLGALGAYDGVPPLDKTARRDPEELGGYAASWAVPFAARIYVEKMRCSGGGGGGGGGEGRQEKDEEMVRVLVNDRVMTLKGCGADERGMCTLERFIESMAFARGNGKWDLCFA,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8326826652518239,,s_6a46017292e9692b12b41cc5,test
catpreddb_km_km_950c33598dfc22,catpred_iteration1_km,km,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4903379814231548,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_km_km_951487bfc06576,catpred_iteration1_km,km,Q54764,Q54764,MPQLEASLELDFQSESYKDAYSRINAIVIEGEQEAFDNYNRLAEMLPDQRDELHKLAKMEQRHMKGFMACGKNLSVTPDMGFAQKFFERLHENFKAAAAEGKVVTCLLIQSLIIECFAIAAYNIYIPVADAFARKITEGVVRDEYLHRNFGEEWLKANFDASKAELEEANRQNLPLVWLMLNEVADDARELGMERESLVEDFMIAYGEALENIGFTTREIMRMSAYGLAAV,CCCCCCCCC=O,CCCCCCCCC=O,CCCCCCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-1.1611509092627446,,s_b4b031ed943af76041b4fd24,test
catpreddb_km_km_952fc31d163c70,catpred_iteration1_km,km,Q9L9F4,Q9L9F4,MLILGLNGNVSAAGADVVPNLNELYMHDAAATLVRDGVLVAAVEEERLNRIKKTTKFPSNAIRECLAAAGAKPADVDAIAYYFPEDFFDDIFQQLYTEHPSVPTRYSREMILERLRVDLGWAAPPDILHYVPHHLAHAMSTYYRSGMREALVVVMDGAGERNCTTIYRSDGAELFEIASYPVPKSLGMFYLYGTRHLGYGFGDEYKVMGLAPYGDPSTYRDVFSTLYSLGPNGTYELIPRGGVVFRMTTILREHGLQPRRRGEPFTQAHMDFAASVQETTEQIAMHVIGYWARSTGLRNLAFGGGVAHNSTLNGRILTSGLFDEVFVHPASHDAGSSEGAALVVARERGERVWPLPRLTNASLGPDLGDVDSLERTLKSWSPLVDVERPDDIVEATAHLLAAGEAIGWAHGRSEFGPRALGNRSILADARPKENQTRINAMVKKRESFRPFAPVVTAEAAGDYFDLPETVGHHDFMSFVVQVRADRRELLGAVTHVDGSARVQVVTEETNPRFHRLVTRFGELTGTPVLLNTSFNNHAEPIVQSVDDVLTSYLTTSLDVLVIEDFVVRRRTELPLALEDFTIGFRPVTRLVRRLADVSAGRPGAPEVSHEIYLDHTSGPRATISAAMYELLTHADGVTPLGSLGIELTGELLTELYDLWQGRFVTVAPVGDGAGSAP,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.47851546330341,,s_cf92563dbf75db8cc3f111e8,test
catpreddb_km_km_95315f5b177e6e,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.5805754546313724,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_9541c221011be2,catpred_iteration1_km,km,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1N)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1N)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)c1ccccc1N)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5670307091255944,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_km_km_954ca77ea86a62,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.5171640143899467,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_9576b05b008a75,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.1463017882238256,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_957a7abb11221f,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,O=P(O)(O)OCC1OC(n2cnc3c(O)ncnc32)CC1O,O=P(O)(O)OCC1OC(n2cnc3c(O)ncnc32)CC1O,O=P(O)(O)OCC1OC(n2cnc3c(O)ncnc32)CC1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_959256c4399b6e,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.4881166390211256,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_95a6384048c296,catpred_iteration1_km,km,G0R7E2,G0R7E2,MDTSKLKPNDPRVKYETKQIRGKTYSYILGEPQGPKLETVVLVHGWPDMAFGWRHQIPYLMSLGFQVVAPNMLGYAGTDAPRDLSQFTLKSVSADIAELARSFVGQDGQIVLGGHDWGGAVVWRTAYYHPELVKAVFSVCTPLHPLSAEYKPLEDIVAAGHMLNFKYQLQLKGPDVEARIQGKDMLRRFFRAMFGGRGPNGEAGFSTSDGVHFDVLDKIGAPPLLDEQELEYYVEQYALQEAPELRGPLNWYRTRELNAKDEMDRAKNGPPLRFEMPALFVAASKDNALPPAMSKGMDAFYKDLTRAEVDATHWALTQAGDEVNRVIGEWLNKALNGATKAAL,c1ccc([C@H]2CO2)cc1,c1ccc([C@H]2CO2)cc1,c1ccc([C@H]2CO2)cc1>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_1ddb69fcb42811b1fde61373,test
catpreddb_km_km_95a7e9d5109bc1,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,O=CC=O,O=CC=O,O=CC=O>>,public_strict_iteration1_fulltrue_msa,,1.4771212547196624,,s_451a9f71732397357584e474,test
catpreddb_km_km_95a959148a5bdd,catpred_iteration1_km,km,P60472,P60472,MMLSATQPLSEKLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSENWNRPAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRERRFGGTEPGDETA,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.397940008672037,,s_6db7608dd527a3a642114dbe,test
catpreddb_km_km_95b4b0dcd4fc72,catpred_iteration1_km,km,Q5W5U3,Q5W5U3,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDETLLDIMNRFKKEMKNGLSRDFNPTATVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEQNQAVHMESEVYDTPENIMHGSGSQLFDHVAECLGDFMEKKKIKDKKLPVGFTFSFPCRQSRIDEAILITWTKRFKASGVEGTDVVKLLDKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCVNTEWGAFGDDGALEDIRTEFDREIDRGSLNPGKQLFEKMVSGMYLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSDDDCVAVQHVCTIVSFRSANLVAATLGAILSRLRDNKGTPRLRTTVGVDGSLYKTHPQYSRRFHKTLRRLVPDCDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFSLTKEMLLEVKKRMRAEMELGLGKQTHDKAVVKMLPSFVRSTPDGTENGDFLALDLGGTNFRVLLVKIRSGKKRSVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPKMPLGFTFSFPCKQTSLDAGILITWTKGFKATDCVGHDVATLLREAIKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVETLEGNQGQMCINMEWGAFGDNGCLDDIRTIYDKLVDEFSLNSGKQRYEKMISGMYLGEIVRNILIDFAKRGFLFRGQISEPLKTRGLFQTKYLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRQEMSS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0913495608033393,,s_94ac160468692e982a2febec,test
catpreddb_km_km_95c3dd3e066602,catpred_iteration1_km,km,Q924C3,Q924C3,MERDGEQAGQGPRHGPAGNGRELESPAAASLLAPMDLGEEPLEKAERARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKAHNDCCINYSSVCQEKKSWVEEACETIDAPQCPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVRSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSYERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDHIVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTEVPETYYSFNYEALAKNLSCRETNQHFRPYLKHFLPKRLHFAKNDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNESHGSLNHLLKKPIYTPSHPKEESFLSQCPIKSVSSDLGCTCDPSIVPIMDFEKQFNLTTDAVEDVYSMTVPNGRPRNLQKQHRVCLLHQQQFLTGYSLDLLMPLWTSYTFLSNDQFSTDDFSNCLYQDLRIPLSPMHKCSYYKSTSKLSYGFLTPPRLNRVSRQIYSEALLTSNIVPMYQSFQVIWQYLHDTVLRRYAQERNGVNVVSGPVFDFDYDGRYDSSEILKQNTRVIRSQENLIPTHFFIVLTSCKQLSESPLKCTALESSAFLLPHRPDNIESCTHGKQESAWVEELLALHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)Oc3ccc([N+](=O)[O-])cc3)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-1.0715471912301344,,s_62d5a3f405a9bb37c7be487b,test
catpreddb_km_km_95d04409fb2069,catpred_iteration1_km,km,Q94C05,Q94C05,MAATTSSAAKPYDLENAAARYAPLPAGPHSCEIPASHRPSLKSISTILLSSLFLCSLIILLVFNQSSSIEPDGPVVFAGSGNRSAESVNPGVVLPAPSRGVSQGVSEKAFRGVSGGRISYPWSNLMLTWQRTAYHFQPEKNWMNDPDGPLYHKGWYHFFYQYNPDSAVWGNITWGHAVSRDLIHWFHLPFAMVPDQWYDINGVWTGSATILPDGQIVMLYTGSTDENVQVQNLAYPADLLDPLLLDWVKYSGNPVLVPPPGIGAQDFRDPTTAWKSPNVGKWLLTIGSKVNKTGISLVYETTNFTDYKLLDGVLHAVPGTGMWECVDFYPVSTIGAIGLDTSANVPGIKHVLKASLDDDKHDYYAIGTYDPFNNTWTPDNPEIDVGIGLRIDYGKYYASKTFYDQNKGRRILWGWIGETDSEADDLMKGWASVQTIPRTVVLDTKTYTHLLQWPVEEVESLRSGDPTLTDVNLQPGSVVPIHVNTSTQLDISAWFEVENTTSSMEADVGYNCSSSGGAVTRGALGPFGLLVIADETLSELTPVYFYIAKGTDGKAETHFCTDQTRSSESSSVGKEVYGSTVPVLEGETYTTRILVDHSIVESFAQGGRTVITSRIYPTKAIYGAARVFLFNNATEASVKASVKIWEMGSADIKPFSFINQL,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.0043213737826426,,s_37987c1407f35c0b1e72272a,test
catpreddb_km_km_95daaea8a89f5d,catpred_iteration1_km,km,B5ARZ9,B5ARZ9,MNLKNLIIYEAFARAYPGEKGKKFLSLEKDLERLKGMGINTVWLMPIHPTGVEGRKGTLGSPYAIRDYYEIDLLIGTKGDFKKFVKRAHELNMYVLMDMVLNHAAVDNVLVKKHPEWFLRDENGNPTRKVPDWSDVVDFDYSNGELREYMINMMRYWVEEFDVDGFRCDVAGLVPLDFWLQARKNLDPVKRLIWISETHDPYMYQAFDITYDYDGYYRFRDFIEGKNSLREYIDFLRMQDHMYPRGYIKMRFLENHDQPRVAKFLSRESLMHWIAFLFTVKGVPLVHNGQEYALKEDLDIFNEYTLPIPGEENEIFSLHRKLAHYRYKTNVFSNGEMIFIRNDQPERVISYLWRHGNRFILCVLNPLLENTSVTLDFSGIWENICIHSKNVFNDDIVRVSVKNSRAKIKVGREPLILSFVLY,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5276299008713387,,s_c2ee9fcdf9a067adb2bd36a5,test
catpreddb_km_km_95fbc9d095d269,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O[C@@H]6CO[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O[C@@H]6CO[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O[C@@H]5CO[C@@H](O[C@@H]6CO[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_96259e3f6ebdfd,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,O=C1Nc2ccccc2C1=O,O=C1Nc2ccccc2C1=O,O=C1Nc2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,0.4232458739368078,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_9628834b8b1de9,catpred_iteration1_km,km,Q88BN6,Q88BN6,MYNSNSAVSQLQNSPLVDNIKYPPTVWSRADALKVNENDPTTTQPLVSADFPVMSDTVFIWDTMPLRELDGTVVSVNGWSVIITLTADRHPDDPQYLGPDGRYDIKRDWEDRHGRARMCYWYSRTGKDWIFGGRVMAEGVSPTTREWAGTPILLNDKGDIDLYYTCVTPGAAIAKVRGRIVTSDQGVELKDFTQVKKLFEADGTYYQTEAQNSSWNFRDPSPFIDPNDGKLYMVFEGNVAGERGSHTVGVAELGPVPPGHEDVGGARFQVGCIGLAVAKDLSGEEWEILPPLVTAVGVNDQTERPHYVFQDGKYYLFTISHKFTYADGVTGPDGVYGFVGEHLFGPYRPMNASGLVLGNPPEQPFQTYSHCVMPNGLVTSFIDSVPTTGEDYRIGGTEAPTVRILLKGDRSFVQEEYDYGYIPAMKDVQLS,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.2671717284030135,,s_6e6a4b8529c4f0656e17a645,test
catpreddb_km_km_9629a69f5109fb,catpred_iteration1_km,km,P9WIE5,P9WIE5,MPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQNPAVADPMGAAFDYAAEVATIDVDALTRDIEEVMTTSQPWWPADYGHYGPLFIRMAWHAAGTYRIHDGRGGAGGGMQRFAPLNSWPDNASLDKARRLLWPVKKKYGKKLSWADLIVFAGNCALESMGFKTFGFGFGRVDQWEPDEVYWGKEATWLGDERYSGKRDLENPLAAVQMGLIYVNPEGPNGNPDPMAAAVDIRETFRRMAMNDVETAALIVGGHTFGKTHGAGPADLVGPEPEAAPLEQMGLGWKSSYGTGTGKDAITSGIEVVWTNTPTKWDNSFLEILYGYEWELTKSPAGAWQYTAKDGAGAGTIPDPFGGPGRSPTMLATDLSLRVDPIYERITRRWLEHPEELADEFAKAWYKLIHRDMGPVARYLGPLVPKQTLLWQDPVPAVSHDLVGEAEIASLKSQIRASGLTVSQLVSTAWAAASSFRGSDKRGGANGGRIRLQPQVGWEVNDPDGDLRKVIRTLEEIQESFNSAAPGNIKVSFADLVVLGGCAAIEKAAKAAGHNITVPFTPGRTDASQEQTDVESFAVLEPKADGFRNYLGKGNPLPAEYMLLDKANLLTLSAPEMTVLVGGLRVLGANYKRLPLGVFTEASESLTNDFFVNLLDMGITWEPSPADDGTYQGKDGSGKVKWTGSRVDLVFGSNSELRALVEVYGADDAQPKFVQDFVAAWDKVMNLDRFDVR,COc1cc(-c2ccc(N)c(OC)c2)ccc1N,COc1cc(-c2ccc(N)c(OC)c2)ccc1N,COc1cc(-c2ccc(N)c(OC)c2)ccc1N>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_84f37f5b06ab457abf65a56c,test
catpreddb_km_km_962ccd893f4f23,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.657577319177794,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_962ceaa0092e2f,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC(C(=O)C1=O)C2(C)C,CC12CCC(C(=O)C1=O)C2(C)C,CC12CCC(C(=O)C1=O)C2(C)C>>,public_strict_iteration1_fulltrue_msa,,-3.2218487496163566,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_962f92b8eae8e0,catpred_iteration1_km,km,P39346,P39346,MQVKTQSCVVAGKKTVAVTEQTIDWNNNGTLVQITRGGICGSDLHYYQEGKVGNFMIKAPMVLGHEVIGKVIHSDSSELHEGQTVAINPSKPCGHCKYCIEHNENQCTDMRFFGSAMYFPHVDGGFTRYKMVETSQCVPYPAKADEKVMAFAEPLAVAIHAAHQAGELQGKRVFISGVGPIGCLIVSAVKTLGAAEIVCADVSPRSLSLGKEMGADVLVNPQNDDMDHWKAEKGYFDVSFEVSGHPSSVNTCLEVTRARGVMVQVGMGGAMAEFPMMTLIGKEISLRGSFRFTSEFNTAVSWLANGVINPLPLLSAEYPFTDLEEALRFAGDKTQAAKVQLVF,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_fc45bf132123547699feb758,test
catpreddb_km_km_962ff04ae56ba3,catpred_iteration1_km,km,A0A0K1H0V2,A0A0K1H0V2,MESKSENDVVASPPSEFEKNQKHYQETIATLPHQNGWRPKDPFVEYGGHWWLQPLLEGLLHAQNFFKARPNDFFVCSYPKTGTTWLKALTFAIANRSKFDDSTNPLLKRNPHEFVPYIEIDFPFFPSVDVLKDQGNTLFSTHIPYNLLPESILKAGCKMVYIWRDPKDTFVSMWTFAHKERSQQGDLVGIEEAFDKYCQGLSVYGPYLDHVLGYWKAHEANPEKILFLKYETMRGDPLPYVKRLAEFMGYGFTEEEEEGGVVERVVKLCSFETLKNLEANKGDKDREDRPAVYANSAYFRKGKVGDWENYLTPEMVARIDGLMEEKFRGTGFLASTP,CSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5670307091255943,,s_d2a6f4d159122c91cb2bc94f,test
catpreddb_km_km_9632357a22939e,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1cccc([N+](=O)[O-])c1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_9646a2965eabc5,catpred_iteration1_km,km,A0A1C3HPQ1,A0A1C3HPQ1,MSPQTETKASVGFKAGVKEYKLTYYTPEYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVPGEETQFIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALAALRLEDLRIPPAYTKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEAIYKSQAETGEIKGHYLNATAGTCEEMIKRAVFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHAGTVVGKLEGDRESTLGFVDLLRDDYVEKDRSRGIFFTQDWVSLPGVLPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAVEGNEIIREACKWSPELAAACEVWK,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-0.4373374566015745,,s_afbe39a3e498859a16a86df9,test
catpreddb_km_km_9646c5ba1b4496,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1674910872937636,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_96546d1f64b45b,catpred_iteration1_km,km,Q8T9Z7,Q8T9Z7,MDNLLRHLKISKEQITPVVLVVGDPGRVDKIKVVCDSYVDLAYNREYKSVECHYKGQKFLCVSHGVGSAGCAVCFEELCQNGAKVIIRAGSCGSLQPDLIKRGDICICNAAVREDRVSHLLIHGDFPAVGDFDVYDTLNKCAQELNVPVFNGISVSSDMYYPNKIIPSRLEDYSKANAAVVEMELATLMVIGTLRKVKTGGILIVDGCPFKWDEGDFDNNLVPHQLENMIKIALGACAKLATKYA,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.026821436072601,,s_8b157d74d30d5eae406928c9,test
catpreddb_km_km_9662b6d5dd3c6f,catpred_iteration1_km,km,P24346,P24346,MSHVAVENVLNLDQQFAGLDLNSADAESGVAGTKGRYIPPHLRNKEASRNDSNWDSGRGGNGYINGMQDDRDGRMNGYDRGGYGSRGTGRSDRGFYDRENSGWNSGRDKDAYSSFGSRGDRGKGSLFNERGSGSRRTDDRRQDGFDGMGNRSDKSGFGRFDRGNSRWSDDRNDEDDWSKPLAPNDRVEQELFSGSNTGINFEKYDDIPVEATGSNCPPHIESFHDVTMGEIIMGNIQLTRYTRPTPVQKHAIPIIIEKRDLMACAQTGSGKTAAFLLPILSQIYADGPGDAMKHLQENGRYGRRKQFPLSLVLAPTRELAVQIYEEARKFAYRSRVRPCVVYGGADIGQQIRDLERGCHLLVATPGRLVDMMERGKIGLDFCKYLVLDEADRMLDMGFEPQIRRIVEQDTMPPKGVRQTMMFSATFPKEIQILARDFLDEYIFLAVGRVGSTSENITQKVVWVEEMDKRSFLLDLLNATGKDSLTLVFVETKKGADALEDFLYHEGYACTSIHGDRSQRDREEALHQFRSGKSPILVATAVAARGLDISNVKHVINFDLPSDIEEYVHRIGRTGRVGNLGLATSFFNEKNINITKDLLDLLVEAKQEVPSWLENMAYEQHHKSSSRGRSKSRFSGGFGAKDYRQSSGAGSSFGSSRGGRSSGHGGSRGFGGGYGGFYNSDGYGGNYGGSSQVDWWGN,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-1.1870866433571443,,s_cb9dab15f0923a3851d27ae2,test
catpreddb_km_km_966bdb35c6f795,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_966be12cb2fbfd,catpred_iteration1_km,km,O08453,O08453,MANVNKTPGKARRAEVAGGGFAGLTAAIALKQSGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHLHDALVNRARALGIDIRVNSEAVAADPEGRLTLESGEVLEADLIVGADGVGSKVRDSIGFKQDRWISKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSAVPIDLEVWVEMFPFLEPCLVEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEAGSSVEDALVDWEKRIRPITDRCQALSGEYAANRSLSNGNMFTPAALEAARYDPLRRVFSWPQ,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.7164868169204699,,s_af6532167929e09c53556f0e,test
catpreddb_km_km_966fe70bb0ce9d,catpred_iteration1_km,km,Q5LRT0,Q5LRT0,MLGQMMYQPLLISSLIDHAARYHGEAQIWSVSTEGGVEETNWAGIADNARRLGSVLTDAGLAPQSRVATLAWNNRRHLEIYYGVSGAGFVLHTINPRLFPEQLVYILNHAEDRILFFDATFLPLVEGIRPHLTTVERLVLMGPRDEAAAARIEGLEFYDEFVATGDAGFDWPDLDERTASSLCYTSGTTGNPKGVLYSHRSTVLHSFGSNTRDCIGFSARDVVMPVVPMFHVNAWGTPYACAMSGSCMVLPGPDLHGEALVGLIDRYRVTIALGVPTIWQGLLATARAKGSTLESLTRTVIGGAACPPSMIAEFRDRYGVDTVHAWGMSEMSPLGTTNQPLAKHGALPIEAQHKLRENQGRPPYGVELKIVDDDGNTLPNDGQTQGDLMVRGHWVLDSYFQLQDQPILSDGWFATGDVATLDRDGYMTIRDRSKDIIKSGGEWISSVELENIAVAHPKLATAAVIGVPHPKWDERPLLVAVKAEGETPDEAELLAFFDGKIAKWQVPDRVVFVEALPLNATGKVLKRTLREQFRDVLTG,CSCCC(=O)O,CSCCC(=O)O,CSCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_a5f87fece84bb75d5e29c14c,test
catpreddb_km_km_96a64899bdc24f,catpred_iteration1_km,km,P37967,P37967,MTHQIVTTQYGKVKGTTENGVHKWKGIPYAKPPVGQWRFKAPEPPEVWEDVLDATAYGSICPQPSDLLSLSYTELPRQSEDCLYVNVFAPDTPSKNLPVMVWIHGGAFYLGAGSEPLYDGSKLAAQGEVIVVTLNYRLGPFGFLHLSSFNEAYSDNLGLLDQAAALKWVRENISAFGGDPDNVTVFGESAGGMSIAALLAMPAAKGLFQKAIMESGASRTMTKEQAASTSAAFLQVLGINEGQLDKLHTVSAEDLLKAADQLRIAEKENIFQLFFQPALDPKTLPEEPEKAIAEGAASGIPLLIGTTRDEGYLFFTPDSDVHSQETLDAALEYLLGKPLAEKVADLYPRSLESQIHMMTDLLFWRPAVAYASAQSHYAPVWMYRFDWHPKKPPYNKAFHALELPFVFGNLDGLERMAKAEITDEVKQLSHTIQSAWITFAKTGNPSTEAVNWPAYHEETRETLILDSEITIENDPESEKRQKLFPSKGE,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,2.0755469613925306,,s_7092bad05ec25b6faaa9681e,test
catpreddb_km_km_96b8d635ce1f3e,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCCCCCCCCCC(=O)[O-],CCCCCCCCCCCCCCCC(=O)[O-],CCCCCCCCCCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_96d49414928e50,catpred_iteration1_km,km,P22243,P22243,MALRITPVTLQSERYRSFSFPKKANLRSPKFAMASTLGSSTPKVDNAKKPFQPPREVHVQVTHSMPPQKIEIFKSIEGWAEQNILVHLKPVEKCWQAQDFLPDPASEGFDEQVKELRARAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAVWTRAWTAEENRHGDLLHTYLYLSGRVDMRQIQKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFVSHGNTARHAKDHGDVKLAQICGTIASDEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFEHFSAVAQRLGVYTAKDYADILEFLVGRWKVADLTGLSGEGRKAQDYVCGLPPRIRRLEERAQGRAKEGPVVPFSWIFDRQVKL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_b893464d5f7c257bff8216c6,test
catpreddb_km_km_96d88262c25a6a,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-0.1366771398795441,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_96dbffc7a7dce8,catpred_iteration1_km,km,B6E2X2,B6E2X2,MSFRTQPPAPARLNRCQLFGPGSRPAIFEKMAQSAADVINLDLEDSVAPDDKPQARRNIIEASHNIDWGNKYLSVRINGLDTPFWYRDVVELLEDGSERIDQIMIPKVGCAADVYAVDALVTAIEAAKGRKKRISLEVIIESAAGIAHVEEIAAASPRLQAMSLGAADFAASMGMATTGIGGTQENYYMLHAGVKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQALRSATLGMVGKWAIHPKQVALANEVFTPSDAAVAEAREILAAMEKAKAEGAGATVYKGRLVDIASIRQAEVIVRQAEMAKV,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_d20d8d975a86869d0f4564a7,test
catpreddb_km_km_96f214eacf5222,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.3684650388371457,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_970496f0f36766,catpred_iteration1_km,km,P82450,P82450,MVSPRPVGLMLLLIIARVSRGAGIGFRFASYIDNYMVLQKEPSGAVIWGFGTAGATVTVTLCQGQETIMKKVTSVKGPSNTWMVVLDPMKPGGPFEVMAQQTLETTNLTLRVHDVLFGDVWLCSGQSNMQMTVLQIFNASKELSDTAAYQSVRIFSVSLTQAEEELADLDGVDLSWSKPTAGNLGHGNFTYMSAVCWLFGRYLYDTLQYPIGLVSSSWGGTPIEVWSSRRALKACGVPNTRDERVLQPEIKPMRNGCESKESSCPFRRFVPCDPVAGPATHSVLWNAMIHPLQNMTLKGVVWYQGENNANYNRDLYACMFPALIAGWRQTFHSGCQGQTERFFPFGFVQLSSYLLMNSSDYGFPEIRWHQTADFGSVPNPKMPNTFMAVAMDLCDRDSPFGSIHPRDKQTVAYRLHLGARAVAYGEKNLTFQGPLPKKIELLARNELLNLTYDQEIQVQRKDNKTFEISCCSDHQCKWLPAPVNTFSTQTLILDLSACLGTVDAVRYAWTTWPCEYKQCAVYHTSSVLPAPPFTARITHRGI,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.1072099696478683,,s_7ebacc96063747ffb7e0b7cf,test
catpreddb_km_km_97057896efef9a,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.1789769472931697,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_970829b4ccc572,catpred_iteration1_km,km,Q6U1I3,Q6U1I3,MEKPIFVTQPNLPPLEEFIPYLEIIWQNKQFTNNGPMHQKLEKKLCEFLGVEYISLFNNGTIALITAVQALGVKGEVITTPYSFVATAHSLVLNGLKPVFVDIDPKTLNIDPRRIEEAITPETQAIMPVHCYGNPCDTQAIADIAQKYNLKVIYDAAHAFGVEDDDGSVLRHGDLSVLSFHATKVFSTFEGGAIVCNSKEMKEKIDRLKNFGYIDETNINIIGSNGKMSEVNAAFGLLQLEHMDTFLRGRMNADMFYRQKLKDITGISIVIPSGQKISNFSYFPILVESDFPLSRDELFNYLKNQNIFARRYFYPVIPDFQAYLNVGEVCDVKNAREIASKVLCLPMHAELSSDILEYIVSTIREIK,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](C)C(=O)[C@H](O)[C@H]3O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.0087739243075051,,s_2df2c3c518ba6b7ea0da618f,test
catpreddb_km_km_970db735601d3c,catpred_iteration1_km,km,O41094,O41094,MFNDRVIVKKSPLGGYGVFARKSFEKGELVEECLCIVRHNDDWGTALEDYLFSRKNMSAMALGFGAIFNHSKDPNARHELTAGLKRMRIFTIKPIAIGEEITISYGDDYWLSRPRLTQN,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OCc2ccccc2)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OCc2ccccc2)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](OCc2ccccc2)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0655015487564323,,s_0f3d4161b68a6739a5190742,test
catpreddb_km_km_971e38ef337f4f,catpred_iteration1_km,km,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_km_km_972fc3913da124,catpred_iteration1_km,km,A6QM00,A6QM00,MSLLPDRERAPDGDISPQEMVPSRKNVVLVDGVILNGPATDVKAGEKFVEDACRLIMEEVVLKATDINEKVCEWRPPEELKRLLDLELRDAGEPHHRLLQRCQDVIRYSVKTNHPRFFNQLYAGLDYYSLVARFMTEALNPSVYTYEVSPVFLLVEEAVLKKMIEFIGWKEGDGIFNPGGSVSNMYAMNLARYKYCPDIKEKGLSGLPRLILFTSAECHYSMKKSASFLGIGTENVCFVETDGRGKMIPEELEKRVQEAKKEGAAPFLVCATSGTTVLGAFDPLDEIADICERHGLWLHVDASWGGSALMSRKHRRLLQGIHRADSVAWNPHKMLMAGIQCCAFLVKDKSDLLKRCYSANASYLFQQDKFYDVSYDTGDKSIQCSRRPDAFKFWLAWKALGTLGLEERVNRALALSRYLVEEIKKREGFKLLMEPEYANICFWYIPPSLRQMEEGPEFWAKLHLVAPAIKERMMKKGSLMLGYQPHQGKVNFFRQVVISPQVSREDMDFLLDEIDLLGKDM,N[C@@H](CS(=O)(=O)O)C(=O)O,N[C@@H](CS(=O)(=O)O)C(=O)O,N[C@@H](CS(=O)(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6575773191777937,,s_23f19d4026e0aa977e087660,test
catpreddb_km_km_97511c4ef42536,catpred_iteration1_km,km,A3MTM6,A3MTM6,MKKVERFEVPRTIIFGPGALEKTPEVIPPSGRVLIITGKSSTRKYAERVAELLKQNCEIISYDQVELEKPGFDLVIGIGGGRPLDMAKVYSYIHKKPFVAIPTSASHDGIASPYVSFSLTQRFSKYGKISSSPVAIIADTSIILSAPSRLLKAGIGDLLGKIIAVRDWQLAHRLKGEEYSEYAAHLSLTSYKIAVGNAQKIKNFIREEDVRVLVKALIGCGVAMGIAGSSRPCSGSEHLFAHAIEVRVEKEDEVVHGELVALGTIIMAYLHGINWRRIKRIADIIGLPTSLRQANIDVDLALEALTTAHTLRPDRYTILGDGLSREAAKRALEDVELI,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_398e334dd7d54b01be4c4909,test
catpreddb_km_km_9774d959c86e1d,catpred_iteration1_km,km,A0A6A5PPK7,A0A6A5PPK7,MRISSTLLQRSKQLIDKYALYVPKTGSFPKGFEVGYTASGVKKNGSLDLGVILNTNKSRPSTAAAVFTTNKFKAAPVLTSKKVLETARGKNINAIVVNSGCANSVTGDLGMKDAQVMIDLVNDKIGQKNSTLVMSTGVIGQRLQMDKISTGINKIFGEEKFGSDFNSWLNVAKSICTTDTFPKLVTSRFKLPSGTEYTLTGMAKGAGMICPNMATLLGFIVTDLPIESKALQKMLTFATTRSFNCISVDGDMSTNDTICMLANGAIDTKEINEDSKDFEQVKLQVTEFAQRLAQLVVRDGEGSTKFVTVNVKNALHFEDAKIIAESISNSMLVKTALYGQDANWGRILCAIGYAKLNDLKSLDVNKINVSFIATDNSEPRELKLVANGVPQLEIDETRASEILALNDLEVSVDLGTGDQAAQFWTCDLSHEYVTINGDYRS,CC(O)=N[C@@H](CCCN)C(=O)O,CC(O)=N[C@@H](CCCN)C(=O)O,CC(O)=N[C@@H](CCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_c25779cf9234d643469dc8ec,test
catpreddb_km_km_977c56ae95951b,catpred_iteration1_km,km,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4119543704721593,,s_c914da2418e4f7c204592eba,test
catpreddb_km_km_9787220cb873b3,catpred_iteration1_km,km,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1,O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1,O=[N+]([O-])c1ccc(OS(=O)(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.5792114032924411,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_km_km_978b89375f04f9,catpred_iteration1_km,km,Q6P6V0,Q6P6V0,MAALTRNPEFQKLLEWHRANSANLKLRELFEADPERFNHFSLNLNTNHGHILLDYSKNLVNKEVLHMLVDLAKSRGVEAARDNMFSGLKINSTEDRAVLHVALRNRSNRSIMMDGKDVMPEVNKVLDKMKSFCQRVRSGDWKGYTGKAITDIINIGIGGSDLGPLMVTEALKPYSKGGPRVWFVSNIDGTHIAKTLANLNPESSLFIIASKTFTTQETITNAETAKEWFLQAAKDPSAVAKHFVALSTNTDKVKEFGIDPKNMFEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGAHWMDQHFMKTPLDKNAPVLLALLGIWYINFYGCETHAMLPYDQYMHRFAAYFQQGDMESNGKYITKSGARVDYQTGPIVWGEPGTNGQHAFYQLIHQGTKMIPCDFLIPVQTQHPIRNGLHHKILLANFLAQTEALMKGKSPEEARKELQAAGKSPEELEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQGIIWDINSFDQWGVELGKQLAKKIEPELDGSSAVTSHDSSTNGLIGFIKLQRDTKID,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.054981299426628,,s_32b04d14673d2a0394002541,test
catpreddb_km_km_97b229c570752d,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_37892504ee980fd328015aac,test
catpreddb_km_km_97b6339cd4776b,catpred_iteration1_km,km,Q9S762,Q9S762,MSLLLPTNLQQYPSSSSFPSSTPILSPPPSTAFSVIVPRRRCLRLVTSCVSTVQSSVATNGSSPAPAPAAVVVERDQIRLGLPSKGRMAADAIDLLKDCQLFVKQVNPRQYVAQIPQLPNTEVWFQRPKDIVRKLLSGDLDLGIVGLDTLSEYGQENEDLIIVHEALNFGDCHLSIAIPNYGIFENINSLKELAQMPQWSEERPLRLATGFTYLGPKFMKENGIKHVVFSTADGALEAAPAMGIADAILDLVSSGITLKENNLKEIEGGVVLESQAALVASRRALNERKGALNTVHEILERLEAHLKADGQFTVVANMRGNSAQEVAERVLSQPSLSGLQGPTISPVYCTQNGKVSVDYYAIVICVPKKALYDSVKQLRAAGGSGVLVSPLTYIFDEDTPRWGQLLRNLGI,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3410725381869158,,s_44f804b8834e7e7e1f692098,test
catpreddb_km_km_97c95ce6ddd7b6,catpred_iteration1_km,km,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,COC(=O)/C=C/c1ccc(O)c(O)c1,COC(=O)/C=C/c1ccc(O)c(O)c1,COC(=O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.90274269030658,,s_9e06a86c4d466395e96365e4,test
catpreddb_km_km_97e1c02a5f1aea,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Cc1ncnc2[nH]cnc12,Cc1ncnc2[nH]cnc12,Cc1ncnc2[nH]cnc12>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_97e1f1d8c4bc6c,catpred_iteration1_km,km,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CCC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)CN=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@H](CCCNC(=N)N)C(=N)O,CCC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)CN=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@H](CCCNC(=N)N)C(=N)O,CCC(C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)CN=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@H](CCCNC(=N)N)C(=N)O>>,public_strict_iteration1_fulltrue_msa,,-2.167491087293764,,s_9c1c54ef2ef457891b120064,test
catpreddb_km_km_97e40f75629d0f,catpred_iteration1_km,km,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_km_km_97eed20b331697,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_9807022ddc239b,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,Cc1ccc(O)c(O)c1,Cc1ccc(O)c(O)c1,Cc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_981304f2055c7e,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,O=C(O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1,O=C(O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1,O=C(O)c1ccc[n+](C2OC(COP(=O)(O)O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1694113313148558,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_9816523d479d49,catpred_iteration1_km,km,P17174,P17174,MAPPSVFAEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGTGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIVVLHACAHNPTGIDPTPEQWKQIASVMKHRFLFPFFDSAYQGFASGNLERDAWAIRYFVSEGFEFFCAQSFSKNFGLYNERVGNLTVVGKEPESILQVLSQMEKIVRITWSNPPAQGARIVASTLSNPELFEEWTGNVKTMADRILTMRSELRARLEALKTPGTWNHITDQIGMFSFTGLNPKQVEYLVNEKHIYLLPSGRINVSGLTTKNLDYVATSIHEAVTKIQ,NC(CC(=O)O)C(=O)O,NC(CC(=O)O)C(=O)O,NC(CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.3521825181113625,,s_be94aa68fdcbc97624dc66b1,test
catpreddb_km_km_981cd405fb6e4f,catpred_iteration1_km,km,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.9731278535996988,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_982b80e39ddca3,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N[C@H](CCC(=O)O)C(=O)O,N[C@H](CCC(=O)O)C(=O)O,N[C@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5545027479597355,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_984b24ce8a2103,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_98628ef3a97ce8,catpred_iteration1_km,km,B6E2X2,B6E2X2,MSFRTQPPAPARLNRCQLFGPGSRPAIFEKMAQSAADVINLDLEDSVAPDDKPQARRNIIEASHNIDWGNKYLSVRINGLDTPFWYRDVVELLEDGSERIDQIMIPKVGCAADVYAVDALVTAIEAAKGRKKRISLEVIIESAAGIAHVEEIAAASPRLQAMSLGAADFAASMGMATTGIGGTQENYYMLHAGVKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQALRSATLGMVGKWAIHPKQVALANEVFTPSDAAVAEAREILAAMEKAKAEGAGATVYKGRLVDIASIRQAEVIVRQAEMAKV,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_d20d8d975a86869d0f4564a7,test
catpreddb_km_km_9868569fb55bed,catpred_iteration1_km,km,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_140aab011c2ec3f979562c0c,test
catpreddb_km_km_98864b5b773f23,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_9899925d6fabfa,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CC[C@H](C)[C@H](N)C(=O)O,CC[C@H](C)[C@H](N)C(=O)O,CC[C@H](C)[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_98b72b3b5c6533,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_98d16de269d043,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5086383061657274,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_98d1e7c45010a1,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)SCc1ccccc1,O=C(O)CN=C(O)SCc1ccccc1,O=C(O)CN=C(O)SCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.2291479883578558,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_98d5fa226f61bc,catpred_iteration1_km,km,D0C5Y6,D0C5Y6,MRQATVYIDRQALQYNLNRVKQLAANSKIVSMVKANAYGHGVKDCLAALNASDAFGVACLQEGLEIRELGFEQPVTLIEGVFSEDEMPIAIEQKFECVIHHQQQFEWLIKHKQAYIAQGLKVWVKLNSGMNRLGFKNPEIIEVIKTLKSEGFTCVLAMHFANADVDHPLNEQQKQQFLHIKETCDPILASCCNSAAIFKWPELNFDYVRPGIMLYGASPFADKTVHDLDLKPVMTFTAEIIALNHIEAGEHVGYGSTFCAQQAMDIAIVSIGYGDGYPRAYVKQNFVAIDGKLCPVVGRVSMDMIAIDVTNTQVKLGTQVELLGNHRLVDDVAEANGTIGYELLCRLSTRPVRQST,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2518119729937995,,s_d1ce3d1ee071aa99e4687897,test
catpreddb_km_km_98f127a54fcc25,catpred_iteration1_km,km,P05708,P05708,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.3643836190991487,,s_941b077a82856b376a21076e,test
catpreddb_km_km_990b87c7634131,catpred_iteration1_km,km,Q24JL3,Q24JL3,MKRAFSSQLRSAYPASKSTHFGRVMASSGSEAKANYAPISTNEPVVSVDWLHSNLGDADIKVLDASWYMAHEQRNPIQEYQVAHIPGALFFDLNGIADRKTNLRHMLPSEEAFAAGCSALGIENNDGVVVYDGMGLFSAARVWWMFRVFGHDKVWVLDGGLPKWRASGYDVESSVSNDAILKASAATEAIEKIYQGQTISPITFQTKFRPHLVLALDQVKENIEDKTYQHIDARSKARFDGIAPEPWKGLPSGHIPGSKCVPFPLMFDSSQTLLPAEELKKQFEQEDISLDSPIAASCGTGVTACILALGLYRLGKTNVAIYDGSWTEWATAPNLPIVGSSS,O=C(O)C(=O)CS,O=C(O)C(=O)CS,O=C(O)C(=O)CS>>,public_strict_iteration1_fulltrue_msa,,1.8573324964312683,,s_4444e71530bfb89335d6e15b,test
catpreddb_km_km_99151229242dbb,catpred_iteration1_km,km,P97608,P97608,MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEEGVLLPRGRPLDTSRIASIRMGTTVATNALLERQGERVALLVTRGFRDLLHIGTQARPDLFDLAVPMPEVLYEEVLEVDERVVLYRGEPGAGSPVKGRTGDLLEIQQPVDLEALRGKLEGLLSRGIHSLAVVLMHSYTWAQHEQQVGTLARELGFTHVSLSSEVMPMVRIVPRGHTACADAYLTPTIQRYVQGFRRGFQGQLKNVQVLFMRSDGGLAPMDAFSGSRAVLSGPAGGVVGYSATTYHLEGGQPVIGFDMGGTSTDVSRYAGEFEHVFEASTAGVTLQAPQLDINTVAAGGGSRLFFRSGLFVVGPESAGAHPGPACYRKGGPVTVTDANLVLGRLLPASFPCIFGPGEDQPLSPEASRKALEAVAMEVNSFLTNGPCPASQLSLEEVAMGFVRVANEAMCRPIRALTQARGHDPSAHVLACFGGAGGQHACAIAIPVHLGAMQETVQFQIQHLGADLHPGDVLLSNHPSAGGSHLPDLTVITPVFWPGQTRPVFYVASRGHHADIGGITPGSMPPHSTTLQQEGAVFLSFKLVQGGVFQEEAVTEALRAPGKISGCSGTRNLHDNLSDLRAQVAANQKGIQLVGELIGQYGLDVVQAYMGHIQANAELAVRDMLRAFGTSRQARGLPLEVSAEDHMDDGSPICLRVQINLSQGSAVFDFTGSGSEVFGNLNAPRAITLSALIYCLRCLVGRDIPLNQGCLAPVRVIIPKGSILDPSPEAAVVGGNVLTSQRVVDVILGAFGACSASQGCMNNVTLGNARMGYYETVAGGAGAGPGWHGRSGVHSHMTNTRITDPEILESRYPVILRRFELRPGSGGRGRFRGGDGVVRELVFREEALLSVLTERRAFQPYGLHGGEPGARGLNLLIRKDGRTVNLGGKTSVTVYPGDVFCLHTPGGGGYGDPEDPAPPPGSPPLFPAFPERGSVFEYRRAQEAV,Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2],Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2],Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,-0.8813538312162706,,s_1bc53897037525803578d594,test
catpreddb_km_km_992e94f3b525aa,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.5767541260631921,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_9935abc5924092,catpred_iteration1_km,km,Q5ZVC1,Q5ZVC1,MTIPDKIKAVYEKSTCLYTSNEVEAALDRMAIKIHETLQDKNPVIICVMVGGLVPLGNLLHRLDFPLEVDYVHATRYRGDLTGGDILWKVRPSSNLAGRTVLVVDDILDGGITLAAIINEIKAMGAAEVYSAVLVDKYRKRVPNGLQKADFVGLQVEDHYIFGYGMDYHEYLRNAPGIFIVHPDHEASK,N=c1nc(O)c2nc[nH]c2[nH]1,N=c1nc(O)c2nc[nH]c2[nH]1,N=c1nc(O)c2nc[nH]c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_e784d9015bb086ef86b734e3,test
catpreddb_km_km_9941d9bfcab731,catpred_iteration1_km,km,O85596,O85596,MIIGVPKEIKNHEYRVGMIPASVRELISHGHQVFVETNAGAGIGFSDDDYIAVGASILPTAAEVFAQADMIVKVKEPQAVERAMLKEGQILFTYLHLAPDFPQTEDLIKSKAVCIAYETVTDNMGRLPLLAPMSEVAGRMSIQAGAQTLEKSHGGRGLLLGGVPGVEPAKVVIVGGGVVGANAARMAVGMRADVTILDRNIDTLRKLDEEFQGRAKVVYSTEDAIEKHVLAADLVIGAVLIPGAAAPKLVTKEHIAKMKPGAAVVDVAIDQGGCFETSHATTHADPTYIVDDVVHYCVANMPGAVARTSTFALNNATLPYIVKLANKGYREALLADHGFLEGLNVIHGKVTCKEVAEAFNLEYVQPETAIAMFN,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2146701649892329,,s_5c4d41ee42fc307757c45309,test
catpreddb_km_km_99595d2d7269cc,catpred_iteration1_km,km,B6D1W5,B6D1W5,MLSHIVEAFTGKNEEENKKKIKGKVVLMKKNVLDFNDFGGSVLDRVHELLGQKVSLQLISSINGDPENKLKGKLGRAAYLEDWITTFTSLTPGDSAFHVTFDWEEEEIGIPGAFIIQNFHHTEFYLKTLTLEDVPGHHGPIHFVCNSWVYPAEKYKTDRVFFTNKTYLPSETPEPLVKYREEELVNLRGNGSGQLEEWDRVYDYAYYNDLGDPDKGSDYARPVLGGSVEYPYPRRGRTGRPPTKTDPNSESRIPLLTSLDIYIPRDERFGHLKMSDFLAYALKSVVQFLLPEFEDLCDSIHNEFDSFEDILQIYEGGFKLPEGPLLKNIFENIPFEMLKVLLRSDGEGLFKFPLPQVIKDDKSAWRTDEEFAREMLAGVNPVIISRLQEFPPTSKLDPNLYGDQTSTISGGHIENKLDGLTIDEAIRTNKLFILNHHDALMPYLKRINSTTTKTYASRTLLFLQKDGSLKPLAIELSLPHPDGYQFGAISKVYLPAEHGIDSSIWQLAKAYVAINDSGVHQLISHWLNTHASIEPFVIATNRQLSVLYPIHKLLHPHFRDTMNINAVGRQILINAGGILEATVFPAKYSMEMSAVIYKDWVFTEQGLPADLLKRGMAVDDSNSPHGLRLLIEDYPYAVDGLEIWSAIKTWVQDYCNFYYTSDILVQKDAELQSWWTEVREKGHGDKKNEPWWPKMQTRGELVDSCTTIIWMASALHAAVNFGQYPYAGYLPVRPTLSRRFMPEPGKPEYDELKTNPDKVFLKTITARLQTLLGISLIEILSSHSSDEVYLGQRDALEWTKDVEPLEAFDRFGTKLREVEERIKQMNNDKKWRNRVGPVNVPYTLLYPTSEEGLTGKGIPNSVSI,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0561348247524964,,s_321ab8105e12d5f609b93865,test
catpreddb_km_km_996361f339fd9f,catpred_iteration1_km,km,P12276,P12276,MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_79bb22d00f99679a2d54532a,test
catpreddb_km_km_9973fec4ebeea6,catpred_iteration1_km,km,P97608,P97608,MGSPEGRFHFAIDRGGTFTDVFAQCPGGHVRVLKLLSEDPANYADAPTEGIRRILEQEEGVLLPRGRPLDTSRIASIRMGTTVATNALLERQGERVALLVTRGFRDLLHIGTQARPDLFDLAVPMPEVLYEEVLEVDERVVLYRGEPGAGSPVKGRTGDLLEIQQPVDLEALRGKLEGLLSRGIHSLAVVLMHSYTWAQHEQQVGTLARELGFTHVSLSSEVMPMVRIVPRGHTACADAYLTPTIQRYVQGFRRGFQGQLKNVQVLFMRSDGGLAPMDAFSGSRAVLSGPAGGVVGYSATTYHLEGGQPVIGFDMGGTSTDVSRYAGEFEHVFEASTAGVTLQAPQLDINTVAAGGGSRLFFRSGLFVVGPESAGAHPGPACYRKGGPVTVTDANLVLGRLLPASFPCIFGPGEDQPLSPEASRKALEAVAMEVNSFLTNGPCPASQLSLEEVAMGFVRVANEAMCRPIRALTQARGHDPSAHVLACFGGAGGQHACAIAIPVHLGAMQETVQFQIQHLGADLHPGDVLLSNHPSAGGSHLPDLTVITPVFWPGQTRPVFYVASRGHHADIGGITPGSMPPHSTTLQQEGAVFLSFKLVQGGVFQEEAVTEALRAPGKISGCSGTRNLHDNLSDLRAQVAANQKGIQLVGELIGQYGLDVVQAYMGHIQANAELAVRDMLRAFGTSRQARGLPLEVSAEDHMDDGSPICLRVQINLSQGSAVFDFTGSGSEVFGNLNAPRAITLSALIYCLRCLVGRDIPLNQGCLAPVRVIIPKGSILDPSPEAAVVGGNVLTSQRVVDVILGAFGACSASQGCMNNVTLGNARMGYYETVAGGAGAGPGWHGRSGVHSHMTNTRITDPEILESRYPVILRRFELRPGSGGRGRFRGGDGVVRELVFREEALLSVLTERRAFQPYGLHGGEPGARGLNLLIRKDGRTVNLGGKTSVTVYPGDVFCLHTPGGGGYGDPEDPAPPPGSPPLFPAFPERGSVFEYRRAQEAV,O=C(O)[C@@H]1CCC(O)=N1,O=C(O)[C@@H]1CCC(O)=N1,O=C(O)[C@@H]1CCC(O)=N1>>,public_strict_iteration1_fulltrue_msa,,-1.0544634348803246,,s_1bc53897037525803578d594,test
catpreddb_km_km_99a55fec256e8c,catpred_iteration1_km,km,Q3SYC2,Q3SYC2,MVEFAPLFMPWERRLQTLAVLQFVFSFLALAEICTVGFIALLFTRFWLLTVLYAAWWYLDRDKPRQGGRHIQAIRCWTIWKYMKDYFPISLVKTAELDPSRNYIAGFHPHGVLAVGAFANLCTESTGFSSIFPGIRPHLMMLTLWFRAPFFRDYIMSAGLVTSEKESAAHILNRKGGGNLLGIIVGGAQEALDARPGSFTLLLRNRKGFVRLALTHGAPLVPIFSFGENDLFDQIPNSSGSWLRYIQNRLQKIMGISLPLFHGRGVFQYSFGLIPYRRPITTVVGKPIEVQKTLHPSEEEVNQLHQRYIKELCNLFEAHKLKFNIPADQHLEFC,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3716110699496884,,s_d26617f4789cd10d2d240843,test
catpreddb_km_km_99bbdf78f5b161,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12,O=C([O-])C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](N=C(O)Cc3cccs3)C(=O)N12>>,public_strict_iteration1_fulltrue_msa,,2.895318480965852,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_99bd13c81867a7,catpred_iteration1_km,km,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)CN=C(O)[C@H](CCCCN)N=C(O)[C@@H](N)CCCCN)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.7351821769904636,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_km_km_99c59e1f81d374,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N[C@H](CC(O)=NO)C(=O)O,N[C@H](CC(O)=NO)C(=O)O,N[C@H](CC(O)=NO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_99d9cf1a8ca3cb,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.619788758288394,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_99e7550bb47da6,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.23284413391782,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_99f0a38fd0c26b,catpred_iteration1_km,km,O50214,O50214,MKKRIGIVGAGTAGLHLGLFLRQHDVDVTVYTDRKPDEYSGLRLLNTVAHNAVTVQREVALDVNEWPSEEFGYFGHYYYVGGPQPMRFYGDLKAPSRAVDYRLYQPMLMRALEARGGKFCYDAVSAEDLEGLSEQYDLLVVCTGKYALGKVFEKQSENSPFEKPQRALCVGLFKGIKEAPIRAVTMSFSPGHGELIEIPTLSFNGMSTALVLENHIGSDLEVLAHTKYDDDPRAFLDLMLEKLGKHHPSVAERIDPAEFDLANSSLDILQGGVVPAFRDGHATLNNGKTIIGLGDIQATVDPVLGQGANMASYAAWILGEEILAHSVYDLRFSEHLERRRQDRVLCATRWTNFTLSALSALPPEFLAFLQILSQSREMADEFTDNFNYPERQWDRFSSPERIGQWCSQFAPTIAA,C=Cc1ccccc1,C=Cc1ccccc1,C=Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3835019448039231,,s_a084a1d1334fa8b2443c43ba,test
catpreddb_km_km_99f308f290b640,catpred_iteration1_km,km,P97697,P97697,MADPWQECMDYAVILARQAGEMIREALKNKMDVMIKSSPADLVTVTDQKVEKMLMSSIKEKYPYHSFIGEESVASGEKTVFTEQPTWIIDPIDGTTNFVHRFPFVAVSIGFVVNKEMEFGVVYSCVEDKMYTGRKGKGAFCNGQKLRVSQQEDITKSLLVTELGSSRKPETLRIVLSNMERLCSIPIHGIRSVGTAAVNMCLVATGGADAYYEMGIHCWDMAGAGIIVIEAGGVLLDVTGGPFDLMSRRIIAASNIALAERIAKELEIIPLQRDDES,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(O)O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(O)O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_d1fd0690201b117a244e4e9f,test
catpreddb_km_km_99f776cafbe4b9,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_99f7b762dffac9,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_9a17ed857c2047,catpred_iteration1_km,km,Q2TBQ8,Q2TBQ8,MAAPAPRLISVFSSPQELGASLAQLVVQQAACCLADAGARFTLGLSGGSLVSMLARELPAAAAPAGPASLARWTLGFCDERLVPFEHAESTYGLYRTHLLSKLPIFDSQVITINPALPVEEAAEDYAKKLRQAFQGDSIPVFDLLILGVGPDGHTCSLFPDHPLLQEREKIVAPISDSPKPPPQRVTLTLPVLNAARTVIYVATGEGKAAILKRILEDKEENPLPAALVQPSAGKLCWFLDEAAARLLTVPFEKHSTL,O=C1OC(COP(=O)(O)O)C(O)C(O)C1O,O=C1OC(COP(=O)(O)O)C(O)C(O)C1O,O=C1OC(COP(=O)(O)O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1179119338048346,,s_68493b29e61814b8b64a4a71,test
catpreddb_km_km_9a1e3aa71379e3,catpred_iteration1_km,km,Q9SRQ2,Q9SRQ2,MDHQVSLPQSTTTGLSFKVHRQQRELVTPAKPTPRELKPLSDIDDQQGLRFQIPVIFFYRPNLSSDLDPVQVIKKALADALVYYYPFAGRLRELSNRKLAVDCTGEGVLFIEAEADVALAELEEADALLPPFPFLEELLFDVEGSSDVLNTPLLLVQVTRLKCCGFIFALRFNHTMTDGAGLSLFLKSLCELACGLHAPSVPPVWNRHLLTVSASEARVTHTHREYDDQVGIDVVATGHPLVSRSFFFRAEEISAIRKLLPPDLHNTSFEALSSFLWRCRTIALNPDPNTEMRLTCIINSRSKLRNPPLEPGYYGNVFVIPAAIATARDLIEKPLEFALRLIQETKSSVTEDYVRSVTALMATRGRPMFVASGNYIISDLRHFDLGKIDFGPWGKPVYGGTAKAGIALFPGVSFYVPFKNKKGETGTVVAISLPVRAMETFVAELNGVLNVSKG,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_923e9138be0b9931b031104a,test
catpreddb_km_km_9a25882061b5aa,catpred_iteration1_km,km,P32477,P32477,MGLLALGTPLQWFESRTYNEHIRDEGIEQLLYIFQAAGKRDNDPLFWGDELEYMVVDFDDKERNSMLDVCHDKILTELNMEDSSLCEANDVSFHPEYGRYMLEATPASPYLNYVGSYVEVNMQKRRAIAEYKLSEYARQDSKNNLHVGSRSVPLTLTVFPRMGCPDFINIKDPWNHKNAASRSLFLPDEVINRHVRFPNLTASIRTRRGEKVCMNVPMYKDIATPETDDSIYDRDWFLPEDKEAKLASKPGFIYMDSMGFGMGCSCLQVTFQAPNINKARYLYDALVNFAPIMLAFSAAAPAFKGWLADQDVRWNVISGAVDDRTPKERGVAPLLPKYNKNGFGGIAKDVQDKVLEIPKSRYSSVDLFLGGSKFFNRTYNDTNVPINEKVLGRLLENDKAPLDYDLAKHFAHLYIRDPVSTFEELLNQDNKTSSNHFENIQSTNWQTLRFKPPTQQATPDKKDSPGWRVEFRPFEVQLLDFENAAYSVLIYLIVDSILTFSDNINAYIHMSKVWENMKIAHHRDAILFEKFHWKKSFRNDTDVETEDYSISEIFHNPENGIFPQFVTPILCQKGFVTKDWKELKHSSKHERLYYYLKLISDRASGELPTTAKFFRNFVLQHPDYKHDSKISKSINYDLLSTCDRLTHLDDSKGELTSFLGAEIAEYVKKNKPSIESKC,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_d2a154f093232cf2a5b9fc7f,test
catpreddb_km_km_9a269c5f1a5323,catpred_iteration1_km,km,P0ACB4,P0ACB4,MKTLILFSTRDGQTREIASYLASELKELGIQADVANVHRIEEPQWENYDRVVIGASIRYGHYHSAFQEFVKKHATRLNSMPSAFYSVNLVARKPEKRTPQTNSYARKFLMNSQWRPDRCAVIAGALRYPRYRWYDRFMIKLIMKMSGGETDTRKEVVYTDWEQVANFAREIAHLTDKPTLK,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-2.424812155072339,,s_60b34ca61aa42f742a37649f,test
catpreddb_km_km_9a2b13fe3f93b6,catpred_iteration1_km,km,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(/C=C/C=O)ccc1O,COc1cc(/C=C/C=O)ccc1O,COc1cc(/C=C/C=O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-2.359518563029578,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_km_km_9a3600af03c02e,catpred_iteration1_km,km,Q5XBL7,Q5XBL7,MSIISTDLTPFQIDDTLKAALREDVHSEDYSTNAIFDHHGQAKVSLFAKEAGVLAGLTVFQRVFTLFDAEVTFQNPHQFKDGDRLTSGDLVLEIIGSVRSLLTCERVALNFLQHLSGIASMTAAYVEALGDDRIKVFDTRKTTPNLRLFEKYAVRVGGGYNHRFNLSDAIMLKDNHIAAVGSVQKAIAQARAYAPFVKMVEVEVESLAAAEEAAAAGVDIIMLDNMSLEQIEQAITLIAGRSRIECSGNIDMTTISRFRGLAIDYVSSGSLTHSAKSLDFSMKGLTYLDV,O=C(O)c1cccnc1C(=O)O,O=C(O)c1cccnc1C(=O)O,O=C(O)c1cccnc1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_656a7156624fb8cfe82f8376,test
catpreddb_km_km_9a37354a807642,catpred_iteration1_km,km,G1C2I2,G1C2I2,MAAPFDKSKNVAQSIDQLIGQTPALYLNKLNNTKAKVVLKMECENPMASVKDRLGFAIYDKAEKEGKLIPGKSIVVESSSGNTGVSLAHLGAIRGYKVIITMPESMSLERRCLLRIFGAEVILTPAALGMKGAVAMAKKIVAANPNAVLADQFATKYNALIHEETTGPEIWEQTNHNVDCFIAGVGTGGTLTGVARALKKMGSHARIVAVEPTESPVLSGGKPGPHKIQGIGPGFVPDVLDRSLIDEVLCVAGDDAIETALKLTRSDGVFCGFSGGANVYAALKIAERPEMEGKTIVTVIPSFGERYLSTTLYRSVRDEVSSLPV,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O,CC(=O)OC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.200303182981585,,s_62cea0c4000cff75d7bf84f5,test
catpreddb_km_km_9a4bd892115290,catpred_iteration1_km,km,A0A1L8HV70,A0A1L8HV70,MATPPKRICIDVPASPSGNKCKVKRISIEGNIAAGKSTFVNILKKANEEWDVVPEPIARWCNIQSCKDEFEELTTSQKSGGNLLQMMYEKPERWSFTFQSYACLSRIRAQLKALGGKLKEAENPVLFFERSVYSDRYIFASNLYEAECMNETEWTVYQDWHDWMNSQFGADLELDGIIYLRAIPEKCLNRVYTRGREEEQGIPMEYLEKLHYKHETWLHHRTLRTDFEYLQEIPILTLDVNEDFRDNKQKQESLIEKVKEFLSTL,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](CO)O1>>,public_strict_iteration1_fulltrue_msa,,1.1784301399477377,,s_0ad9625fa36195c17c775d5c,test
catpreddb_km_km_9a4c4f093db7d9,catpred_iteration1_km,km,A2TEF2,A2TEF2,MIGELLLLLAAGLALYGWYFCKSFNTTRPTDPPVVHGTTPFVGHIIQFGKDPLGFMLKAKKKYGGIFTMNICGNRITVVGDVHQHSKFFTPRNEILSPREVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTVAKFQNFAPSIQHEVRKFMKANWNKDEGEINILDDCSAMIINTACQCLFGEDLRKRLDARQFAQLLAKMESCLIPAAVFLPWILKLPLPQSYRCRDARAELQDILSEIIIAREKEEAQKDTNTSDLLAGLLGAVYRDGTRMSQHEVCGMIVAAMFAGQHTSTITTTWSLLHLMDPRNKRHLAKLHQEIDEFPAQLNYDNVMEEMPFAEQCARESIRRDPPLVMLMRKVLKPVQVGKYVVPEGDIIACSPLLSHQDEEAFPNPREWNPERNMKLVDGAFCGFGAGVHKCIGEKFGLLQVKTVLATVLRDYDFELLGPLPEPNYHTMVVGPTASQCRVKYIKKKKAAA,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3>>,public_strict_iteration1_fulltrue_msa,,-1.919373513078194,,s_d540cb1ef35fd300bed61dcc,test
catpreddb_km_km_9a569a7ab5ae2b,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.537860356969059,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_9a56a1f017f00d,catpred_iteration1_km,km,P52910,P52910,MTIKEHKVVYEAHNVKALKAPQHFYNSQPGKGYVTDMQHYQEMYQQSINEPEKFFDKMAKEYLHWDAPYTKVQSGSLNNGDVAWFLNGKLNASYNCVDRHAFANPDKPALIYEADDESDNKIITFGELLRKVSQIAGVLKSWGVKKGDTVAIYLPMIPEAVIAMLAVARIGAIHSVVFAGFSAGSLKDRVVDANSKVVITCDEGKRGGKTINTKKIVDEGLNGVDLVSRILVFQRTGTEGIPMKAGRDYWWHEEAAKQRTYLPPVSCDAEDPLFLLYTSGSTGSPKGVVHTTGGYLLGAALTTRYVFDIHPEDVLFTAGDVGWITGHTYALYGPLTLGTASIIFESTPAYPDYGRYWRIIQRHKATHFYVAPTALRLIKRVGEAEIAKYDTSSLRVLGSVGEPISPDLWEWYHEKVGNKNCVICDTMWQTESGSHLIAPLAGAVPTKPGSATVPFFGINACIIDPVTGVELEGNDVEGVLAVKSPWPSMARSVWNHHDRYMDTYLKPYPGHYFTGDGAGRDHDGYYWIRGRVDDVVNVSGHRLSTSEIEASISNHENVSEAAVVGIPDELTGQTVVAYVSLKDGYLQNNATEGDAEHITPDNLRRELILQVRGEIGPFASPKTIILVRDLPRTRSGKIMRRVLRKVASNEAEQLGDLTTLANPEVVPAIISAVENQFFSQKKK,CC(=O)O,CC(=O)O,CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9444826721501688,,s_9681fa7c587225c789308788,test
catpreddb_km_km_9a62e45a8fcb8e,catpred_iteration1_km,km,Q187D4,Q187D4,MYNKETICVQGNYKPGNGEPRVLPLYQSTTFKYSSIDQLAELFDLKVDGHIYSRISNPTIQAFEEKISLLEGGVSSVAVSSGQSANMLAVLNICKSGDSILCSSKVYGGTFNLLGPSLKKFGIDLISFDLDSSEDEIVELAKENTKVVFAETLANPTLEVIDFEKIANVAKRINVPFIVDNSLASPVLCNPLKYGANIVTHSTTKYLDGHASSVGGIIVDGGNFNWDNGKFPELVEPDPTYHGISYTQKFGNAAYATKARVQLLRDYGNCLSPFNAYLTNLNVETLHLRMERHSENALKIARFLEKHENVDWINYPGLEDNKYYENAKKYLSRGCSGVLSFGVRGGLENAKKFVEKLQIASLVTHVSDVRTCVIHPASTTHRQLTEEQLIASGVLPSLIRLSVGIENVEDLIADLNQALNF,S,S,S>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_ca1d2cddc60a3e3f5b491e27,test
catpreddb_km_km_9a7f735697b437,catpred_iteration1_km,km,A0A514TRK5,A0A514TRK5,MANERVELRIYNSMTQQKEIFNPKVPGKVSMYVCGVTAYDYSHIGHARAAVSFDILFRYLKHLGYEVTYVRNFTDVDDKIIKRANETGEDPLALSNRFCEEYNVDMSDLLCERPTKEPRVSDHIGEIKDMITQIINNDYGYEVNGDVFYAVEKCPNYGILSGQRLEHNRAGERVAVDSRKRHPADFALWKAAKPGEPSWDSPWGPGRPGWHIECSAMSACYLTHKFDIHGGGIDLIFPHNENEVAQSWAADKESHISYWMHNGHVTNNNEKMSKSLGNFFTIRQITERYHPLALRHFLISAHYKSPLNYSIAQLESSSDAVYYIFQTLQDCKDALAPLVQGETEKKEKINEAAKDCIKKLSVEFQTKMSDDLQTPVILTGSLQDALKLVNSSLKMLKKKLQRRAQLQLVESLLEVEKEIGKILNVLGLLSTKSYAEIPQESKEKALKRAGLVEDDVLHLIEERSQARINKDFARSDKVRTDLTAKGIALMDVGNETVWRPCIPSEPLVAQPVQTENKATKVEEKLAIVGEGNGPETST,N[C@@H](CS)C(=O)O,N[C@@H](CS)C(=O)O,N[C@@H](CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_2c4856224f26ad6ba1eb3878,test
catpreddb_km_km_9a94c484f59e74,catpred_iteration1_km,km,P04181,P04181,MFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTILSF,NCCCC(N)C(=O)O,NCCCC(N)C(=O)O,NCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3254669391740136,,s_58788980d9e3f8d588063d04,test
catpreddb_km_km_9ab1d61356bee9,catpred_iteration1_km,km,A5K867,A5K867,MISEPVDIKYLENNQYSDEGIKAYEFIFGEDYISSGGIIATTKILSDIQLDANSKVLDIGSGLGGGCKYINEKYGAHVHGVDICEKMVTIAKLRNQDKAKIEFEAKDILKKDFPESTFDMIYSRDSILHLSYADKKMLFEKCYKWLKPNGILLITDYCADKIENWDEEFKAYIKKRKYTLMPIQEYGDLIKSCKFQNVEAKDISDYWLELLQLELSKLEEKKEEFLKVYSIKEYNSLKDGWTRKIKDTKRDLQKWGYFKAQKMI,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_a04a4a6a53f401afa791b675,test
catpreddb_km_km_9ab5959adae234,catpred_iteration1_km,km,K7NBW3,K7NBW3,MEKGDTHILVFPFPSQGHINPLLQLSKRLIAKGIKVSLVTTLHVSNHLQLQGAYSNSVKIEVISDGSEDRLETDTMRQTLDRFRQKMTKNLEDFLQKAMVSSNPPKFILYDSTMPWVLEVAKEFGLDRAPFYTQSCALNSINYHVLHGQLKLPPETPTISLPSMPLLRPSDLPAYDFDPASTDTIIDLLTSQYSNIQDANLLFCNTFDKLEGEIIQWMETLGRPVKTVGPTVPSAYLDKRVENDKHYGLSLFKPNEDVCLKWLDSKPSGSVLYVSYGSLVEMGEEQLKELALGIKETGKFFLWVVRDTEAEKLPPNFVESVAEKGLVVSWCSQLEVLAHPSVGCFFTHCGWNSTLEALCLGVPVVAFPQWADQVTNAKFLEDVWKVGKRVKRNEQRLASKEEVRSCIWEVMEGERASEFKSNSMEWKKWAKEAVDEGGSSDKNIEEFVAMLKQT,C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C,C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C,C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-1.3446363549777272,,s_149cd835f6a77fca4008caab,test
catpreddb_km_km_9ac339c1e27b94,catpred_iteration1_km,km,Q04728,Q04728,MRISSTLLQRSKQLIDKYALYVPKTGSFPKGFEVGYTASGVKKNGSLDLGVILNTNKSRPSTAAAVFTTNKFKAAPVLTSKKVLETARGKNINAIVVNSGCANSVTGDLGMKDAQVMIDLVNDKIGQKNSTLVMSTGVIGQRLQMDKISTGINKIFGEEKFGSDFNSWLNVAKSICTTDTFPKLVTSRFKLPSGTEYTLTGMAKGAGMICPNMATLLGFIVTDLPIESKALQKMLTFATTRSFNCISVDGDMSTNDTICMLANGAIDTKEINEDSKDFEQVKLQVTEFAQRLAQLVVRDGEGSTKFVTVNVKNALHFEDAKIIAESISNSMLVKTALYGQDANWGRILCAIGYAKLNDLKSLDVNKINVSFIATDNSEPRELKLVANGVPQLEIDETRASEILALNDLEVSVDLGTGDQAAQFWTCDLSHEYVTINGDYRS,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9242792860618816,,s_c25779cf9234d643469dc8ec,test
catpreddb_km_km_9acd6f8144a81d,catpred_iteration1_km,km,P26150,P26150,MPGWSCLVTGAGGFLGQRIIQLLVQEKDLEEIRVLDKVFKPETREQFFNLGTSIKVTVLEGDILDTQYLRRACQGISVVIHTAAIIDVTGVIPRQTILDVNLKGTQNLLEACIQASVPAFIFSSSVDVAGPNSYKDIVLNGHEDEHRESTWSDPYPYSKKMAEKAVLAANGSMLKNGGTLQTCALRPMCIYGERSQFLSNTIIKALKNKFILRGGGKFSTANPVYVGNVAWAHILAARGLRNPKKSPNIQGEFYYISDDTPHQSYDDLNYTLSKEWGFCLNSRWYLPVPILYWLAFLLETVSFLLSPIYRYIPPFNRHLVTLTASTFTFSYKKAQRDLGYEPLVSWEEAKQKTSEWIGTLVEQHRETLDTKSQ,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-3.3098039199714866,,s_5c7361b46f468ad26b6179a2,test
catpreddb_km_km_9ada34fd8fb3ea,catpred_iteration1_km,km,A0A4Y5R9F4,A0A4Y5R9F4,MAPSIFSDEPQHGNTTKPYSHDPSASTPASSQQNGNTPHDQNGSSCVVDKKKGRHAGAGHKSILQSDALYQYVLETSVYPRENPYQRELREITEKHPWNLMTTPPDEGQFLMLLMKLINAKNTMELGVYTGYSLLSTALALPDDGKIIAMDINRENYELGAPVIEKAGLSHKVDFREGLILPQLDEMLLEERNLGFFDFIFVDADKDNYVKYHERLIKLVKVGGVIGYDNTLWNGSLVAPEDAPYPKYICHYRPFVLELNRVLAGDKRIEISQVPIGDGLTLCRRIK,O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21,O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21>>,public_strict_iteration1_fulltrue_msa,,-1.1392565211939862,,s_99bb8b4a9f1f4ed06cb0729c,test
catpreddb_km_km_9adad82ba7a7da,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,O=C1C=CC(=O)c2c(O)ccc(O)c21,O=C1C=CC(=O)c2c(O)ccc(O)c21,O=C1C=CC(=O)c2c(O)ccc(O)c21>>,public_strict_iteration1_fulltrue_msa,,-2.113509274827518,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_9b0564f3dfdaa8,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)C1=CN(CCc2ccccc2)C=CC1,N=C(O)C1=CN(CCc2ccccc2)C=CC1,N=C(O)C1=CN(CCc2ccccc2)C=CC1>>,public_strict_iteration1_fulltrue_msa,,1.212986184736668,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_9b298fa14bb5a2,catpred_iteration1_km,km,A0A499UB99,A0A499UB99,MATNNIVVLGAGVSGLTTAWLLSKDPSNKITVAAKHMPGDYDIEYCSPWAGANYLPVGAENSRVGQWERATWPHLRDIAQNHPEAGIHFQDTVVYNRTKDQGSTTGQWFSELVKPNPWYGKVLPNFRELSKDELPPGIDNANRFTSVCINTAVYLPWLVGQCRKNGVVFKRAVFKHVAEAANAHHSGQKADLVVNCTGLSSRKLGGVQDNTLLPARGQIVVVRNDPGLMCSISGTDDGDDEVTYMMTRAAGGGTILGGTYQKHNWDSLPDPNLAVRIMKRCIELCPSLVAPGQGIEGLDIIRHGVGLRPVREDGPRIEKELIDGVWVVHNYGHGGYGYQTSFGCATTAVEVVREALQQQKQRRDKARL,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_d9fe73494ede26238d4e9e26,test
catpreddb_km_km_9b2daf740d13cb,catpred_iteration1_km,km,Q9VUY9,Q9VUY9,MSLTVEIVATKPYEGQKPGTSGLRKKVKVFTQPNYTENFVQAILEANGAALAGSTLVVGGDGRFYCKEAAELIVRLSAANGVSKLLVGQNGILSTPAVSSLIRHNKALGGIVLTASHNPGGPENDFGIKFNCENGGPAPDAFTNHIYKITTEIKEYKLVRNLQIDISKVGVTSFDIAGKPFTVEVIDSVANYVRHMEEIFDFAKLKDFVSGKATGKPLKMRIDAMNGVTGSYVREIFLNRLGATESSVVHTTPLPDFGGLHPDPNLTYAKDLVDTVAQGDYDIGAAFDGDGDRNMIIGSKAFFVTPSDSLAVIAHYLEAIPYFQKNGVQGFARSMPTASAVDLVGRKLGKEVFEVPTGWKYFGNLMDAGRLCLCGEESFGTGSNHIREKDGIWAVLAWISVMQHTGKGIEDILKQHWSVYGRNYFTRYDYEECASDPCNEMVATMEKTITAPEFVGKSYSSGGKTYKVKEADNFSYTDPVDKSVATKQGLRIVFEDGSRIVVRLSGTGSSGATVRLYIDSYEKENVLGQASVMLKPLIDIALEISQLPKFTGRNAPTVIT,O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.188346405695299,,s_18b3a6c0dc5c34929db08861,test
catpreddb_km_km_9b2de59d8ca4ff,catpred_iteration1_km,km,D3U1D9,D3U1D9,MATSKVVFITGATSGFGEAAAQVFADAGWSLVLSGRRFERLKTLQDKLASQVPVHIIELDVRDSDSVAAAVAALPADFADITTLINNAGLALSPQPAQKVDLDDWKTMIDTNVTGLVNVTHALLPTLINHGAGASIINIGSIAGQWPYPGSHVYGASKAFVKQFSYNLRCDLLGTGVRVTDLAPGIAETEFTLVRTKGDQAASDNLYRGTTPLSARDIAEQMFYIATLPDHMNINRVEVMPVRQAWQPFAIDRD,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.9355420107730816,,s_1ae383681c8af3a9ffe32f8e,test
catpreddb_km_km_9b3525269e0d28,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_9b563509e40706,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=C[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.42021640338319,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_9b5d298f5a9cb8,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,NC(N)=Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1,NC(N)=Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1,NC(N)=Nc1ccc(CC(=O)O)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_9b823704cf0cd6,catpred_iteration1_km,km,P77243,P77243,MSAQINNIRPEFDREIVDIVDYVMNYEISSKVAYDTAHYCLLDTLGCGLEALEYPACKKLLGPIVPGTVVPNGVRVPGTQFQLDPVQAAFNIGAMIRWLDFNDTWLAAEWGHPSDNLGGILATADWLSRNAVASGKAPLTMKQVLTAMIKAHEIQGCIALENSFNRVGLDHVLLVKVASTAVVAEMLGLTREEILNAVSLAWVDGQSLRTYRHAPNTGTRKSWAAGDATSRAVRLALMAKTGEMGYPSALTAPVWGFYDVSFKGESFRFQRPYGSYVMENVLFKISFPAEFHSQTAVEAAMTLYEQMQAAGKTAADIEKVTIRTHEACIRIIDKKGPLNNPADRDHCIQYMVAIPLLFGRLTAADYEDNVAQDKRIDALREKINCFEDPAFTADYHDPEKRAIANAITLEFTDGTRFEEVVVEYPIGHARRRQDGIPKLVDKFKINLARQFPTRQQQRILEVSLDRARLEQMPVNEYLDLYVI,C[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-],C[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-],C[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.3565473235138126,,s_7f67345c4c0dd5973624a8a4,test
catpreddb_km_km_9b8862bc030d4b,catpred_iteration1_km,km,P34896,P34896,MTMPVNGAHKDADLWSSHDKMLAQPLKDSDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELETLCQKRALQAYKLDPQCWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPKLIIAGTSCYSRNLEYARLRKIADENGAYLMADMAHISGLVAAGVVPSPFEHCHVVTTTTHKTLRGCRAGMIFYRKGVKSVDPKTGKEILYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTLEFKVYQHQVVANCRALSEALTELGYKIVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDRSALRPSGLRLGTPALTSRGLLEKDFQKVAHFIHRGIELTLQIQSDTGVRATLKEFKERLAGDKYQAAVQALREEVESFASLFPLPGLPDF,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.740362689494244,,s_08e94d00e198158ed1db5b76,test
catpreddb_km_km_9b9cd5d0761e8a,catpred_iteration1_km,km,D1L8A9,D1L8A9,MGSEGSVKTMNITVRDSSMVQPAKNTPEKKLWNSNLDLVVGRIHILTVYFYRSNGSQNFFEPRVLKEALSNVLVSFYPMAGRLGKDDEGRVEINCNGEGVLFVEAESDCCVDDFGDFTPSSEMRRLTPTVDYSGAISSYPLIILQVTYFKCGGVSLGVGVHHTLSDGVSSLHFINTWSDMARGLSIAIPPFIDRTLLRPRIPPTPTFDHVEYHPPPSMITKPLSGPKGVSTAILKLSLDQLTTLKAKAKNEGNGKDHSTYEILAAHLWRCACKARDLSPNQTSKLYIATDGRSRLCPPLPPGYLGNVVFTATPMAESGDLQVEPVTSTAKRIHNSLTRMDNEYLRSALDFLETTPDLKTLVRGPNYFASPNLNINSWTRLPVHDADFGWGRPIFMGPASILYEGTIYIIPSTTNDRSLSLAVCLDAGHMARFEKCLYEF,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.11719095860756,,s_819ec7d199f125325da247a2,test
catpreddb_km_km_9bae19e58ec62a,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC1=C(/C=C/C(C)O)C(C)(C)CCC1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1,CC1=C(/C=C/C(C)O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-3.2218487496163566,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_9bbbfc1e00ec5e,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(S)Cc1ccccc1,O=C(O)CN=C(S)Cc1ccccc1,O=C(O)CN=C(S)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.619788758288394,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_9bbd52b82060cb,catpred_iteration1_km,km,Q6WB13,Q6WB13,MASNSIVTILEQSRISSPPGTIGERSLPLTFFDIGWVPFPPVHHVFFYRFPHSKSHFLETVVPNLKHSLSLALQHFFPFASNLYVSPNADDFGVIRKPEIRHVEGDYVALTFAECSLDFNDLTGNHPRKCENFYPLVPPLGNVVKMADCVTIPLFSVQVTYFRDSGISIGMTNHHSLGDASTRLGFLKVWTSIAKSGGDQSLLMNGSLPVLDRLIDVPKLDEYRLRHTSLETFYQPPSLVGPTKKVRATFILSRTNINQLKKRVLTQIPTLEYISSFTVTCGYIWSCIAKSLVKMGEKKGEDELEQFICTADCRSRMDPPIPSTYFGNCGAPCVTTIKNVVLSSENGFVFAAKLIGEAINKMVKNKEGILKDAERWHDAFKIPARKIGVAGTPKLNFYDIDFGWGKPQKNETISIDYNGSVAINASKESTQDFEIGLCFSNMQMEAFADIFNHGLESEI,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.3872161432802645,,s_b74452fdfa942f6e3c0cb1f2,test
catpreddb_km_km_9bd0570439b667,catpred_iteration1_km,km,Q54VI3,Q54VI3,MLNQNLTISQEIAAQPKTQYFTKEDGDALANLLESNPYKEQAVEVKSLLKSERLIESSRVEPEVDWFYCKLGLDSNYFDSTPSIVIARHILSLYAAKMVSHATGAKLEVHLHSKNEGSATFITPSNPGKRDSPAMMIEHAIESHYFGEGYHQDQQLLSPQQVAVAPFPVSPKPPTGTNLPPHGFRLACYRTTGTVSNSSPVHLRLYYLTKPVFPQATNDLSASKNDEILATETDLFKIGDISFIEKSSELTKKIYQEVMNEVVGKQGPVIKHYPYQTNGARLVIAYRRGSTHSYWSAIGELYHFHQMYATHKYVEQFSNGITIYSIYLRPLHPDVDINTKISKIAEQASLVYVLPRTSLTPLFLSHQLSFPEVTYAYVCWKFAYQFLNRYATEYSALAAAIGDDSTKQSMLAQLKTRLSKDTFTEGRVRDAVLQYPELIKILYQDFEKFHFSGSNSNNTQKYDVQHGSEILASIKKTVNNELDSQIFSAILSFNRHLLKTHIRFRDISRGGIRIIRSGNSTQYDHNSSSLFDENYNLANTQQSKNKDIAEGGSKGTILLSADHQSKAEVAFHKYIDGLLDLLLPNHEIVDHFAKPEILFLGPDEGTADFMNWASSHAKDRGAHFWKAFTTGKSLSRGGIPHDLYGMTTRSIHQYVLGTLAKLGRNEADCTKFQTGGPDGDLGSNEIKISKDKTIGIVDGSGVLLDPQGLNRDEIGRLASKRQMARYFDKSKLSPQGFFVDVAENDVKLPNGDIVESGLIFRNNFHLNPLCNADIFVPCGGRPESVQLTNVDKMFTATGESRFPIIVEGANLFFTQKARLMIEEKGAIIFKDASANKGGVTSSSLEVLAALALNDEEFDRHMCVKDNVVPEFYENYIKDVHHTIESNARLEFECIWSEHESTKTPRSILSDLLSNKINSLNDSIQTSSLWTDQSLRRKIISAACPKVLLNLLGVDKIMERVPEPYVKAIFGSYLASRFVYKYGLNSNEFAFYTYMETLKQQ,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.23877788324684,,s_519922da8a366161013bc2c9,test
catpreddb_km_km_9bd187b73e175a,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,O[C@@H]1CCc2ccccc21,O[C@@H]1CCc2ccccc21,O[C@@H]1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_9bd355fa9689ec,catpred_iteration1_km,km,Q04212,Q04212,MVNEKVNPFDLASVSPLVLGGAILNQQYTDEPESIPLEDIIKYAFSHGINAIDTSPYYGPSEVLYGRALSNLRNEFPRDTYFICTKVGRIGAEEFNYSRDFVRFSVHRSCERLHTTYLDLVYLHDVEFVKFPDILEALKELRTLKNKGVIKNFGISGYPIDFITWLAEYCSTEESDIGSLDAVLSYCNLNLQNNKLLNFRERLLRNAKLKMVCNASILSMSLLRSQETRQFHPCSHELRECASQAAKYCQEQNVDLADLATRYAISEWVGKGPVVLGVSSMEELKLALDNYEIVKSNGNRLSSKDGQLVEYIQKNIFKEHFNEEWSSGIPHPEMI,O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.7481880270062005,,s_1b480b479e86e0133ff3f910,test
catpreddb_km_km_9bdaf23eba73b8,catpred_iteration1_km,km,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,COP(=O)(O)Oc1ccc([N+](=O)[O-])cc1,COP(=O)(O)Oc1ccc([N+](=O)[O-])cc1,COP(=O)(O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,1.6989700043360187,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_km_km_9bef1328f4ac35,catpred_iteration1_km,km,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]7C(=O)O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_km_km_9c05e799923918,catpred_iteration1_km,km,A0A8F5GUX2,A0A8F5GUX2,MPLYVIDKPLTLHILTQLRDKNTDQINFRKNLVRLGRILGYEIANTLDYEIVEVETPLGARTKGIDITDLNNIVIINILRAAVPLVEGLLKAFPKARQGVIGASRVEVDGKEVPKDMDVYIYYKKIPDIRAKVDNVIIADPMIATASTMLKVLEEVVRANPKKIYIVSIISSEYGANKILSKYPFIYLFTVTIDPELNNKGYILPGLGDAGDRAFG,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.286839751417877,,s_899324a4d934a098fe02b9cd,test
catpreddb_km_km_9c0622b167e23a,catpred_iteration1_km,km,A0A090IMH4,A0A090IMH4,MTEQYITIDGRKIGPNFSPYIIAELSANHNGDINRAFAIMEAAKKAGADAIKLQTYTQDTITMDCDSDEFQIKGGLWHGQSLYQLYTSAHMPWEWHQPLFAKAKELDITIFSSPFDFTAVDLLEELDAPAYKIASFEIVDLPLIKRVAQTGKPMIISTGMADQSEIEIAIQTAKDNGCDELVVLHCVSGYPAPAAQYNLRTIADIGQRFDVLAGLSDHTIDNATAVVSVAFGACVIEKHVTLDRNAGGADDSFSLEPDELARLCRDTYTAWQAMGNVNYERTPAEQGNVKFRRSLYAVKDIAAGELLTADNVRSIRPGFGLEPKYYDQVLGKKANVIISKGTALSFGLIS,CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.255272505103306,,s_8f28e5943280c5a5988fa0ca,test
catpreddb_km_km_9c0ab4f22b1546,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.3467874862246565,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_9c439d5e77e652,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.512861624522813,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_9c4450a4ab4aad,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,O=C1CCCO1,O=C1CCCO1,O=C1CCCO1>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_9c5369461bef57,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(=O)C(C)=O,CC(=O)C(C)=O,CC(=O)C(C)=O>>,public_strict_iteration1_fulltrue_msa,,0.2429198250559581,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_9c56056b0337ba,catpred_iteration1_km,km,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O,O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O,O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.3010299956639813,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_km_km_9c650f918480d1,catpred_iteration1_km,km,P12276,P12276,MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_79bb22d00f99679a2d54532a,test
catpreddb_km_km_9c8dc0a2c898ba,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@@H](O)[C@@H](CN)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@@H](O)[C@@H](CN)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@@H](O)[C@@H](CN)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_9c935c2d6a379c,catpred_iteration1_km,km,P79076,P79076,MSTSSSDPFFNFTKSSFRSAAAQKASATSLPPLPGPDKKVPGMDIKYDVVIVGSGPIGCTYARELVEAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVIDTLSPTSWQASSFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDQDADDAEWDRLYTKAESYFKTGTDQFKESIRHNLVLNKLAEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPNERFNLFPAVACERVVRNTSNSEIESLHIHDLISGDRFEIKADVFVLTAGAVHNAQLLVNSGFGQLGRPDPANPPQLLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMIIRGNPGDLGYSVTYTPGAETNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPSHPWHTQIHRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKITDTYNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFMEPGLVLHLGGTHRMGFDEQEDKCCVNTDSRVFGFKNLFLGGCGNIPTAYGANPTLTAMSLAIKSCEYIKNNFTPSPFTDQAE,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_a65237b33467b3d991176a6b,test
catpreddb_km_km_9c95e959caba53,catpred_iteration1_km,km,Q9CID5,Q9CID5,MTEKDWIIQYDKKEVGKRSYGQESLMSLGNGYLGLRGAPLWSTCSDNHYPGLYVAGVFNRTSTEVAGHDVINEDMVNWPNPQLIKVYIDGELVDFEASVEKQATIDFKNALQIERYQVKLAKGNLTLVTTKFVDPINFHDFGFVGEIIADFSCKLRIETFTDGSVLNQNVERYRAFDSKEFEVTKISKGLLVAKTRTSEIELAIASKSFLNGLAFPKIDSENDEILAEAIEIDLQKNQEVQFDKTIVIASSYESKNPVEFVLTELSATSVSKIQENNTNYWEKVWSDADIVIESDHEDLQRMVRMNIFHIRQAAQHGANQFLDASVGSRGLTGEGYRGHIFWDEIFVLPYYAANEPETARDLLLYRINRLTAAQENAKVDGEKGAMFPWQSGLIGDEQSQFVHLNTVNNEWEPDNSRRQRHVSLAIVYNLWIYSQLTEDESILTDGGLDLIIETTKFWLNKAELGDDGRYHIDGVMGPDEYHEAYPGQEGGICDNAYTNLMLTWQLNWLTELSEKGFEIPKELLEKAQKVRKKLYLDIDENGVIAQYAKYFELKEVDFAAYEAKYGDIHRIDRLMKAEGISPDEYQVAKQADTLMLIYNLGQEHVTKLVKQLAYELPENWLKVNRDYYLARTVHGSTTSRPVFAGIDVKLGDFDEALDFLITAIGSDYYDIQGGTTAEGVHIGVMGETLEVIQNEFAGLSLREGQFAIAPYLPKSWTKLKFNQIFRGTKVEILIENGQLLLTASADLLTKVYDDEVQLKAGVQTKFDLK,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_ab9ef1581700d6578984f55f,test
catpreddb_km_km_9cac74838c046e,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.906578314837765,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_9cad0a9b6e9e0e,catpred_iteration1_km,km,D6XUS4,D6XUS4,MKPYLKEDPWSIIEEGFDKDKHEISESVFSLGNGHMGQRANFEETYTGSTLQGSYMAGVYYPDKTRVGWWKNGYPEYFAKVLNATNWIGLDISVDGTELDLNRAEVNDFVRELNMKEGYLKRSFRATIADGKDIKVEATRFVSVAMKEIGAIEYKITPLTFDGELTLRSYLDGDIMNKDANYDEKFWSKVSESAEGSRAHVTVKTKKLDFVYASLKETKVVHAGEEISPAECKTAEKYAEVTFTAPLKKNEATTIYKFAANVTNRDHEDQKLLDVAKEKLNQAIEKGFDTLKKEQADEWNKKWEDSDIVIEGDVAAQQGIRFNIFQMNQTYTGEDARLNIGPKGFTGEKYGGSTYWDTEAYCLPFYLATADQRIPKNLLVYRHNHLEKAKENAGKLGFTKGALYPMVTMNGEESHNEWEITFEEIHRNGAIAYAIYNYVNYTGDKSYIGELGIEVLVEISRFWEERVHYVPKKDVYMMHGVTGPNEYENNVNNNWYTNRIASWTLEYTLFALDYLKDSDPELYKKWITKLDLKDHETEKWLTIIDKMYYPEDKENGIFLQADNFEDKEIMPVSDLDEKHLPLNQNWSWDRILRSCFIKQADVLQGMYFLNHEFDIETKKRNFDYYEPMTVHESSLSPCVHSILACELGYKEKAYEMYLRTARLDLDNYNNDTEDGCHITSMAGTWMSVVEGFGGMKVKNDQLILNPFIPGQWSSFSFKVVFRGTRLLIKVTQDQVVVNNETDVKADLVIHGETYSLDGKGELSINH,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_c22cc2f9542b8c837fc60478,test
catpreddb_km_km_9cca4ec36c64ce,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CSCCC(=O)C(=O)O,CSCCC(=O)C(=O)O,CSCCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7558748556724915,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_9ccbd41f7bb2c2,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)C[C@H](N)C(O)=Nc1ccc2ccccc2c1,CC(C)C[C@H](N)C(O)=Nc1ccc2ccccc2c1,CC(C)C[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.1487416512809248,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_9cceb9c5b6eff0,catpred_iteration1_km,km,Q58CR4,Q58CR4,MTRECAPPTPGSGAPLSGSVLAEAAVVFVVVLSIHAAVWDRYSWCAVALAVQAFYVQYKWDRLLQQGSAVFQFRMSANSGLLPASVVMPLLGLVMKERCQAAGNPYFERFGIVVAATGMAVALFSSVLALGITRPVPTNTCVISGLAGGVIIYIMKHSLSVGEVIEVLEALLIFVYLNMILLYLLPRCFTPGEALLVLGGISFMLNQLIKRSLTVVESQGDPLDFFLLVVVVGMVLMGIFFSTLFVFMDSGTWASSIFFHLMTCVLGLGVVLPWLHRLIRRNPLLWLFQFLFQTETRVYLLAYWCLLATVACLVVLYQNAKRSSSESKKHQAPTITRKYFHFIVVATYIPGIILDRPLLYVAATVCLAVFIFLEYVRYFRIKPLGHTLRSLLSLFLDERDSGPLILTHIYLLLGMSLPIWLVPRPCTQKGSLGGARALVPYAGVLAVGVGDTVASIFGSTMGEIRWPGTKKTFEGTMTSIFAQIISVALILIFDSGVDLNYSYAWILGSISTVSLLEAYTTQIDNLLLPLYLLILLMA,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-2.0409586076789066,,s_7889a1ce2dc165aa3607b7f2,test
catpreddb_km_km_9cde58a254be89,catpred_iteration1_km,km,P05708,P05708,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.5951658490851458,,s_941b077a82856b376a21076e,test
catpreddb_km_km_9ce229f7e5e8e9,catpred_iteration1_km,km,G0R7E2,G0R7E2,MDTSKLKPNDPRVKYETKQIRGKTYSYILGEPQGPKLETVVLVHGWPDMAFGWRHQIPYLMSLGFQVVAPNMLGYAGTDAPRDLSQFTLKSVSADIAELARSFVGQDGQIVLGGHDWGGAVVWRTAYYHPELVKAVFSVCTPLHPLSAEYKPLEDIVAAGHMLNFKYQLQLKGPDVEARIQGKDMLRRFFRAMFGGRGPNGEAGFSTSDGVHFDVLDKIGAPPLLDEQELEYYVEQYALQEAPELRGPLNWYRTRELNAKDEMDRAKNGPPLRFEMPALFVAASKDNALPPAMSKGMDAFYKDLTRAEVDATHWALTQAGDEVNRVIGEWLNKALNGATKAAL,c1ccc([C@@H]2CO2)cc1,c1ccc([C@@H]2CO2)cc1,c1ccc([C@@H]2CO2)cc1>>,public_strict_iteration1_fulltrue_msa,,1.3384564936046048,,s_1ddb69fcb42811b1fde61373,test
catpreddb_km_km_9ce6bff7035467,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_9cfac5eae76054,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,COc1cc(O)ccc1C[C@H](N)C(=O)O,COc1cc(O)ccc1C[C@H](N)C(=O)O,COc1cc(O)ccc1C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2041199826559248,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_9d00ddc4520dbb,catpred_iteration1_km,km,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6925039620867871,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_km_km_9d02ea1e1249dc,catpred_iteration1_km,km,Q9SCL7,Q9SCL7,MATVTSNASPKSFSFTVSNPFKTLIPNKSPSLCYPTRNKNHHRLGFSIKATVSTPPSIATGNAPSPDYRVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMITG,CC(O)=N[C@@H](CCC(=O)O)C(=O)O,CC(O)=N[C@@H](CCC(=O)O)C(=O)O,CC(O)=N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.750294853645904,,s_f50adb24004f25117fc4da7c,test
catpreddb_km_km_9d0ca5a5a45f43,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1,CC(O)C(O)C1CNc2nc(N)[nH]c(=O)c2N1>>,public_strict_iteration1_fulltrue_msa,,-1.1323391410930264,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_9d2493cf4a9ff7,catpred_iteration1_km,km,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,NC(CSCSCC(N)C(=O)O)C(=O)O,NC(CSCSCC(N)C(=O)O)C(=O)O,NC(CSCSCC(N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_km_km_9d2df169074c06,catpred_iteration1_km,km,A0A067YIW8,A0A067YIW8,MAIPDEFDIIVVGGGSTGCCIAGRLGNLDPNVTVALIEGGENNLNNPWVYLPGVYPRNMRLDSKTATFYEARPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWESEGWTTDELMPLIRKLETYQRPCNNRELHGFDGPIKVSFGNYTYPTCQDFLRACESQGIPYVDDLEDFKTSHGAEHWLKWINRDLGRRSDTAHAYIHPTMRNKQNLFLITSTKCDKVIIEDGKAVAVKTVAMKPVNTKKCHGRTYKARKQIVVSCGTISSPLVLQRSGIGAAHHLRSVGIKPIVDLPGVGENFQDHYCFFTPYYVKPGVPTFDDFVRGDPVAQKSAFDQWYSNKDGPLTTNGIEAGVKIRPTEEELATADEDFRAGYADYFENKPDKPLMHYSVISGYFGDHTKIPNGKFMTMFHFLEYPFSRGFVRVTSANPYDAPDFDTGFLNDERDLWPMVWAYKKSRETARRMESFAGEVTSHHPLFKVDSPARAKDLDLETCNAFAGPNHLTANLYHGSWTVPIEKPSGKNTQHVSSNQVEIFSDIEYSAEDDEAIVNYIKEHTETTWHCLGTCSMAPREGSKIAPKGGVVDCRLNVHGVQNLKVADLSICPDNVGCNTYSTALTIGEKCATLVAEDLGYSGSDLDMTIPNFKLGTYEETGLARF,CO,CO,CO>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_fd3ef2f6ad3f9712e85b68df,test
catpreddb_km_km_9d43ec1d4928bd,catpred_iteration1_km,km,Q03ZZ4,Q03ZZ4,MRKIGVVGIGHVGVTVAHIIIAQGLADEIVLVDKNPEKLASEELDFRDAASLLDHHVEVHAGTVTDLTDAEVVISALGHIELIKPGGDRFTELKANTPEVQQVGSDLKQAGFNGVLIVISNPVDVITGIYQKATGLPANQVFGTGTYLDTARLKRALGDTLAIDPRGISGYMLGEHGDSQFAAWSTVNALGKNADELVKLYDINLDKVAEAARVGGFTVFAGKKYTNFAIAHAAVSLAKLVLSNARREAIVSHYDERFEGYISTPAIIGRDGVTAEFDLQLTDEEKILLQKSANAIAEKTAAYL,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.9929950984313416,,s_1dadf416d12f62671fa60db4,test
catpreddb_km_km_9d58b4fc5290d3,catpred_iteration1_km,km,O00763,O00763,MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQRNGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGTGTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSVAGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKLPELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGKRISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQVQSEIPGSPIFLMKLAQHARHLTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIRENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.102407705158788,,s_2f44ab60f356ab1568187475,test
catpreddb_km_km_9d6b6f92ba7b10,catpred_iteration1_km,km,Q62087,Q62087,MGKLVALTLLGACLALIGERLLNFRERVSTTREIKATEPQNCHLIEGLENGSEDIDILPSGLAFISTGLKYPGMPAFAPDKPGRIFLMDLNEQNPEAQALEISGGLDQESLNPHGISTFIDKDNTAYLYVVNHPNMDSTVEIFKFEEQQRSLIHLKTLKHELLKSVNDIVVLGPEQFYATRDHYFTSYFLVLLEMILDPHWTSVVFYSPKEVKVVAQGFSSANGITVSLDQKFVYVADVTAKNIHIMKKHDNWDLTPVKVIQLGTLVDNLTVDPATGDILAGCHPNPMKLLIYNPEDPPGSEVLRIQDSLSDKPRVSTLYANNGSVLQGSTVASVYHKRMLIGTIFHKALYCDL,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_8355cc7a8bc57f26e925c227,test
catpreddb_km_km_9d7200516840c4,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)c1ccccc1,O=C(O)CN=C(O)c1ccccc1,O=C(O)CN=C(O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_9d7d04c0b9e3f1,catpred_iteration1_km,km,A0QY29,A0QY29,MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVVPDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAMYTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFHPAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADRPESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAALWRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVPAALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIEIDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGYGF,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0087739243075051,,s_c98fff9ef9ca8eb344a3f0c8,test
catpreddb_km_km_9d7f8984c16e92,catpred_iteration1_km,km,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8937617620579433,,s_23a07e04da444562badc1284,test
catpreddb_km_km_9d82d346cb0757,catpred_iteration1_km,km,A0A224MNB6,A0A224MNB6,MASSSRFAALLLLALPALALPPSQVVPRAACATPSTVPGYNNDRLPDPFLFDDGTAVTSSADWDCRRSQIAAVVQGYEAGYLPPQPPIVSATFSSSDGTGTLTVTAGLSSDNTISFSEPITYPSGTAPAAGWPLVIAYDVLSIPVPDGIAVMVYNNDDIAQENDLSSRGVGLFYDLYGTDATASAMTAWVWGVSRIIDALETTPAANINTAKIAVTGCSRDGKGALMAGAFEPRVALTIPQESGSGGDTCWRLSKYEQDSGDVVQQATEIVTENVWFSTNFDNYVNNLSVLPYDHHELAAMVAPRPLLSYENTEYEWLSPLSAYGCMSAAHTVYEALGIPDYHGFVQVGNHSHCYFPDTLDDSLYAFFDRFLLDEDDVSTDYFTTNYQFNGTVWNASYWINWTTPQLD,O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O,O=C(OCc1ccccc1)C1OC(O)[C@@H](O)C(O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5314789170422551,,s_9fec1b0c57b37f0d9dbb181d,test
catpreddb_km_km_9d8668ff156119,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-],CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-],CC1C(NC(=O)C(=NOC(C)(C)C(=O)O)c2csc([N+])n2)C(=O)N1S(=O)(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.3872161432802643,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_9dbcb6f15a907c,catpred_iteration1_km,km,Q9S795,Q9S795,MAIPMPTRQLFIDGEWREPILKKRIPIVNPATEEVIGDIPAATTEDVDVAVNAARRALSRNKGKDWAKAPGAVRAKYLRAIAAKVNERKTDLAKLEALDCGKPLDEAVWDMDDVAGCFEFYADLAEGLDAKQKAPVSLPMESFKSYVLKQPLGVVGLITPWNYPLLMAVWKVAPSLAAGCTAILKPSELASVTCLELADICREVGLPPGVLNVLTGFGSEAGAPLASHPGVDKIAFTGSFATGSKVMTAAAQLVKPVSMELGGKSPLIVFDDVDLDKAAEWALFGCFWTNGQICSATSRLLVHESIASEFIEKLVKWSKNIKISDPMEEGCRLGPVVSKGQYEKILKFISTAKSEGATILHGGSRPEHLEKGFFIEPTIITDVTTSMQIWREEVFGPVLCVKTFASEDEAIELANDSHYGLGAAVISNDTERCDRISEAFEAGIVWINCSQPCFTQAPWGGVKRSGFGRELGEWGLDNYLSVKQVTLYTSNDPWGWYKSPN,NCCC=O,NCCC=O,NCCC=O>>,public_strict_iteration1_fulltrue_msa,,-1.6003262785189618,,s_c6badf741a6ac9e541eb699e,test
catpreddb_km_km_9dd8ca94baa729,catpred_iteration1_km,km,P47820,P47820,MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYNSSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTDQKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESPSFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNYDWWYFSNKIAKLNGYSDAGDSWRSSYESDDLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFIIQFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSASAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1)C(=O)O,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1)C(=O)O,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0668864835154727,,s_3b2b69fed0c36508bc49125a,test
catpreddb_km_km_9ddfe47c46380b,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12>>,public_strict_iteration1_fulltrue_msa,,-2.679853713888946,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_9de1ef91270f93,catpred_iteration1_km,km,V9SDP6,V9SDP6,MSIPTTQKGVIFYENGGQLYYKDIPVPKPKSNELLINVKYSGVCHTDLHAWKGDWPLDTKLPLVGGHEGAGVVVAMGDNVKGWKIGDLAGIKWLNGSCMNCEECELSNESNCPDADLSGYTHDGSFQQYATADAVQAAHIPAGTDLAQVAPILCAGVTVYKALKTAEMKAGDWVAISGAAGGLGSLAVQYAKAMGFRVLGIDGGEGKEELFKSLGGEVFIDFTKSKDIVGEVIKATNGDAHGVINVSVSEKAIESSIEYCRSNGTVVLVGLPKDAKCKSDVFNQVVKSIHIVGSYVGNRADTREALDFFCRGLVHA,CCO,CCO,CCO>>,public_strict_iteration1_fulltrue_msa,,1.6946051989335686,,s_afee1ae86793f42c1d3745de,test
catpreddb_km_km_9e083c38404855,catpred_iteration1_km,km,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_10643db1da4d21bc18567292,test
catpreddb_km_km_9e29c67d065cd8,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCc1ccccc1,NCc1ccccc1,NCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_9e2db77b58f1d7,catpred_iteration1_km,km,P05102,P05102,MIEIKDKQLTGLRFIDLFAGLGGFRLALESCGAECVYSNEWDKYAQEVYEMNFGEKPEGDITQVNEKTIPDHDILCAGFPCQAFSISGKQKGFEDSRGTLFFDIARIVREKKPKVVFMENVKNFASHDNGNTLEVVKNTMNELDYSFHAKVLNALDYGIPQKRERIYMICFRNDLNIQNFQFPKPFELNTFVKDLLLPDSEVEHLVIDRKDLVMTNQEIEQTTPKTVRLGIVGKGGQGERIYSTRGIAITLSAYGGGIFAKTGGYLVNGKTRKLHPRECARVMGYPDSYKVHPSTSQAYKQFGNSVVINVLQYIAYNIGSSLNFKPY,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-4.823908740944319,,s_ad65a2a9afbb74d766a80ceb,test
catpreddb_km_km_9e5ab109971195,catpred_iteration1_km,km,Q7XBS0,Q7XBS0,MASGVCPPAELGFGAEYYSVVNGVCSRAGSYFGGRPVLTQAVGYAVVLGFGAFFALFTSFLVWLEKRYVGSQHTSEWFNTAGRSVKTGLIASVIVSQWTWAATILQSSNVAWQYGVSGPFWYASGATIQVLLFGVMAIEIKRKAPNAHTVCEIVRARWGTPAHLVFLTFCLLTNVIVTAMLLLGGSAVVNALTGVNVYAASFLIPLGVVVYTLAGGLKATFLASYIHSVVVHAVLVVFVFLVYTSSSKLGSPRVVYDRLMAVASAARDCSADLSRNGQACGPVAGNFKGSYLTMLSSGGLVFGIINIVGNFGTVFVDNGYWMSAIAARPSSTHKGYLLGGLVWFAVPFSLATSLGLGALALDLPLTAAEAAKGLVPPATATALMGKSGSVLLLTMLFMAVTSAGSAELVAVSSLCTYDIYRTYLNPGASGKQILRVSRAVVLGFGCFMGVLAVVLNVAGVSLGWMYLAMGVIVGSAVIPIALLLLWSKANAVGAMGGAVSGCALGVAVWLTVAKVQYGRVNLDTTGRNAPMLAGNLVSILVGGAVHAACSLLRPQHYDWGTSREMITTVESVHAALDDELKEERLVHAKRWIVRWGLVFTAVIVVAWPALSLPARRYSLGYFTLWAAVAIAWGTVGSVVIILLPVAESWTTITKVCAGMFTNDAVYDRLDDVNLRLRAIMGAMPEAEKRYRQLHETEMHPAGTHPANDDDDDNNNNQMMHS,NC(N)=O,NC(N)=O,NC(N)=O>>,public_strict_iteration1_fulltrue_msa,,-2.054186675539809,,s_007f21d30bcb1b7408295956,test
catpreddb_km_km_9e699a3ce428c8,catpred_iteration1_km,km,Q3S4B7,Q3S4B7,MSDNPADLPVLVAGGGIGGLAAALALVRRGFSVKVLEQAPEIGEIGAGIQLGPNAFHAFDALGIGEKARGRAVYTDEMVMHDAIDGSLVGRIPTGEAFRQRFGNPYAVIHRVDVHLSLLEGAQETGKVEFLTSTRALRIEQDEGSVTVYDQHGNAHKGIALIGADGVKSVVREQFVGDAARVTGHVVYRAVVDKKDFPESLQWNAASIWVGPNCHLVHYPLRGGEQYNVVVTFHSRQPEQWGVTEGSKEEVQSYFQGICPQARQLIDLPKTWKRWATADREPIGQWSFGRVTLLGDAAHPTTQYMAQGACMAMEDGVTLGEALRVNNNDFPKAFELYQRSRVARTARIVLSSREMGRIYHAQGVERLVRNDLWKGRTPERFYDAMEWLYGWNVGNCLAKD,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.0655015487564322,,s_1463817ddd6ab20b700ea94c,test
catpreddb_km_km_9e8cc2305a4c5a,catpred_iteration1_km,km,Q187D4,Q187D4,MYNKETICVQGNYKPGNGEPRVLPLYQSTTFKYSSIDQLAELFDLKVDGHIYSRISNPTIQAFEEKISLLEGGVSSVAVSSGQSANMLAVLNICKSGDSILCSSKVYGGTFNLLGPSLKKFGIDLISFDLDSSEDEIVELAKENTKVVFAETLANPTLEVIDFEKIANVAKRINVPFIVDNSLASPVLCNPLKYGANIVTHSTTKYLDGHASSVGGIIVDGGNFNWDNGKFPELVEPDPTYHGISYTQKFGNAAYATKARVQLLRDYGNCLSPFNAYLTNLNVETLHLRMERHSENALKIARFLEKHENVDWINYPGLEDNKYYENAKKYLSRGCSGVLSFGVRGGLENAKKFVEKLQIASLVTHVSDVRTCVIHPASTTHRQLTEEQLIASGVLPSLIRLSVGIENVEDLIADLNQALNF,CS,CS,CS>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_ca1d2cddc60a3e3f5b491e27,test
catpreddb_km_km_9e92eca462f269,catpred_iteration1_km,km,A5LHX0,A5LHX0,MFVFCKKIFFLIFISLMILGGCNSDSKHNNSDGNITKNKTIEVYVDRATLPTIQQMTQIINENSNNKKLISWSRYPINDETLLESINGSFFKNRPELIKSLDSMILTNEIKKVIINGNTLWAVDVVNIIKSIEALGKKTEIELNFYDDGSAEYVRLYDFSRLPESEQEYKISLSKDNIQSSINGTQPFDNSIENIYGFSQLYPTTYHMLRADIFETNLPLTSLKRVISNNIKQMKWDYFTTFNSQQKNKFYNFTGFNPEKIKEQYKASPHENFIFIGTNSGTATAEQQIDILTEAKKPDSPIITNSIQGLDLFFKGHPSATYNQQIIDAHNMIEIYNKIPFEALIMTDALPDAVGGMGSSVFFSLPNTVENKFIFYKSDTDIENNALIQVMIELNIVNRNDVKLISDLQ,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O,CC(O)=N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=N)nc3O)[C@H](O)[C@@H]2O)(C(=O)O)C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_d858f2a019e281adc94b379a,test
catpreddb_km_km_9e95c064c74ef7,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-2.082138980369032,,s_f28c949d1503440bae214094,test
catpreddb_km_km_9ea6d9edc6b2c0,catpred_iteration1_km,km,P31213,P31213,MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCLHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_7be15bef7aeb161cc050a294,test
catpreddb_km_km_9eb7e6bc3b9de6,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.3351748236432295,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_9ebe69eda17ad6,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_9ec42b8cbc999b,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_9ec9f942756f9f,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(O)=NCC(=O)O,CC(O)=NCC(=O)O,CC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9684829485539352,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_9eee8f7b649a00,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1cccc(O)c1)C(=O)O,N[C@@H](Cc1cccc(O)c1)C(=O)O,N[C@@H](Cc1cccc(O)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0268721464003013,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_9f0951db138f8c,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,N=C(O)C1=CN(CCCc2ccccc2)C=CC1,N=C(O)C1=CN(CCCc2ccccc2)C=CC1,N=C(O)C1=CN(CCCc2ccccc2)C=CC1>>,public_strict_iteration1_fulltrue_msa,,1.0538464268522527,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_9f17870778573b,catpred_iteration1_km,km,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCCCCC/C=C\CCCCCCCC(=O)O,CCCCCCCC/C=C\CCCCCCCC(=O)O,CCCCCCCC/C=C\CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8664610916297825,,s_e8cf4514befa1a1899f825d0,test
catpreddb_km_km_9f1c0424c310f7,catpred_iteration1_km,km,P00469,P00469,MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV,O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.326270233643354,,s_8872a5ded9b1f61cb4b520ad,test
catpreddb_km_km_9f2b74cc4ae130,catpred_iteration1_km,km,Q39548,Q39548,MYLSRPTGVARFAASSSSSSSASLFPGVDVDTTTKTGALHFEETKERIKKLFDKVELSVSAYDTAWVAMVPSPNSLNQPLFPECINWVLDSQHADGSWGLLHNDQLLMKANLLSTLACVLTLKRWNIGHDHMSKALDFIKSNIASATDENQRSPVGFDIIFPGMIEYAKDLNLNLPLAPTNVDALVRKKELELRSCRSNSEGGKAYLAYVSEGIGKLQDWDMVMQYQRKNGSLFNSPSTTAAAFMHRNDDGCFDYLRSLLQKFDGSVPTIYPLDIYARLHMVDSLQKFGIARHFKEEIRSVLDETYRCWMQGEENIFLDASTCAMAFRMLRVEGYDVSSDQLTQFSEDIFPNCLGGYLKDFGASLELYKASQIITHPDESVLENINSWTSRFLKHGLSSDSVWSDRTDSVVKQEAVNALEFPYNATLERLISKRAMESYSGDIVRISKSPYACLNFGHQDFLELAVEDFNTLQRIHLKELEELQRWVVENKLDELKFFRLHLGYCYFAAAATLTDPELHDARIAWAQNGVLTTVVDDFYDGGGSEEELDNLIELVEKWDPDGEVGYCSKDVEIVFLALHSTVCEIGRRALVWQGRSVMRNVIDGWLALLKVMRKEAEWSTNKVVPSMGEYMEQAHVSFALGPIILPMLFFVGPKLSEEMIGSCEYQKLYKLMSTAGRLKNDIRSYDRECKEGKLNILSLWMIDGGGNVTKEEAIEAIKGDFERAIRELLGLVLQENTTIPRACKDLFWKLMSIVNLFYMEDDGYTSNRLMNTVKAMFEQPMDLDALLNK,C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.397940008672037,,s_fb8d9e910bea0a3882476816,test
catpreddb_km_km_9f3ce5d6a05474,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,NCCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.4176977921571725,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_9f47b297bc4d4c,catpred_iteration1_km,km,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3675910884952316,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_km_km_9f57a661d2dd8e,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,OC[C@@H](O)C(O)[C@H](O)CO,OC[C@@H](O)C(O)[C@H](O)CO,OC[C@@H](O)C(O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,2.342422680822206,,s_27293a9716281920c2a47964,test
catpreddb_km_km_9f61bdb2f8b051,catpred_iteration1_km,km,A5LHX0,A5LHX0,MFVFCKKIFFLIFISLMILGGCNSDSKHNNSDGNITKNKTIEVYVDRATLPTIQQMTQIINENSNNKKLISWSRYPINDETLLESINGSFFKNRPELIKSLDSMILTNEIKKVIINGNTLWAVDVVNIIKSIEALGKKTEIELNFYDDGSAEYVRLYDFSRLPESEQEYKISLSKDNIQSSINGTQPFDNSIENIYGFSQLYPTTYHMLRADIFETNLPLTSLKRVISNNIKQMKWDYFTTFNSQQKNKFYNFTGFNPEKIKEQYKASPHENFIFIGTNSGTATAEQQIDILTEAKKPDSPIITNSIQGLDLFFKGHPSATYNQQIIDAHNMIEIYNKIPFEALIMTDALPDAVGGMGSSVFFSLPNTVENKFIFYKSDTDIENNALIQVMIELNIVNRNDVKLISDLQ,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_d858f2a019e281adc94b379a,test
catpreddb_km_km_9f9cc4e7523b4d,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O>>,public_strict_iteration1_fulltrue_msa,,-2.84465334382832,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_9f9e8096d471e3,catpred_iteration1_km,km,A8RG82,A8RG82,MRYFKEEVAGMKYGIYFAYWTKEWFADYKKYMDKVSALGFDVLEISCAALRDVYTTKEQLIELREYAKEKGLVLTAGYGPTKAENLCSEDPEAVRRAMTFFKDLLPKLQLMDIHILGGGLYSYWPVDFTINNDKQGDRARAVRNLRELSKTAEECDVVLGMEVLNRYEGYILNTCEEAIDFVDEIGSSHVKIMLDTFHMNIEETNMADAIRKAGDRLGHLHLGEQNRLVPGKGSLPWAEIGQALRDINYQGAAVMEPFVMQGGTIGSEIKVWRDMVPDLSEEALDRDAKGALEFCRHVFGI,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.437750562820388,,s_45bb25d72d8311bbac7d6ed9,test
catpreddb_km_km_9f9f31485e5e58,catpred_iteration1_km,km,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,COc1cc(/C=C/C(=O)OC2C(O)OC(CO)C(O)C2O)ccc1O,COc1cc(/C=C/C(=O)OC2C(O)OC(CO)C(O)C2O)ccc1O,COc1cc(/C=C/C(=O)OC2C(O)OC(CO)C(O)C2O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3352744143772855,,s_48e9b1367836a0093d7ae75d,test
catpreddb_km_km_9fb45d3211ee6b,catpred_iteration1_km,km,F1LBH9,F1LBH9,MEDQALVEVALGSTAIFAFVAYTMQRRSALINIVFLVVVVAAFCVFTVRSNKSLLDIPAILFLRVFDGSDHRDCLLLFWSICVLSSFIFCTVVGASDSTSTTHRKFFHLTVSLICLTGLRYDVEFTWLSAWLVLCIFMIVEIFRSLKVPPWSTYLDNWLLVFVDSQDSKDLILTPIFLVAGIFLPLFLSPISNYEKRHLYHYGGVMTVGVGDSAAAIFGSRYGTHHWPESSKSKEGTAAMVFAQILFGILLCITYIPDCMLTLFSILRLALTCTVCAFVEAHIKKIDNIA,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.0705810742857072,,s_74ad2651a3816d266fa06c60,test
catpreddb_km_km_9fb6822e811528,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7481880270062004,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_9fc36d788d19da,catpred_iteration1_km,km,Q9WY06,Q9WY06,MKKLTVYLATTNPHKVEEIKMIAPEWMEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFMEEHSYKEKMRTILKMLEGKDRRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDPFFIPDGYDKTFGEIPHLKEKISHRSKAFRKLFSVLEKILESENR,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7508447231051997,,s_6bd796007fbd75e266556426,test
catpreddb_km_km_9fde16a3d8120e,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,C[C@H](N=C(O)[C@H](N)CC1CCC(O)CC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](N)CC1CCC(O)CC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](N)CC1CCC(O)CC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3467874862246563,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_9ffae4f8e7db54,catpred_iteration1_km,km,Q45515,Q45515,MTKLIKNGTIVTATDIYEADLLIQDGKIAVIGRNLDESGAEVIDATGCYVFPGGIDPHTHLDMPFGGTVTKDDFESGTIAAAFGGTTTIIDFCLTNKGEPLKKAIETWHNKATGKAVIDYGFHLMISEITDDVLEELPKVIEEEGITSFKVFMAYKDVFQADDGTLYRTLVAAKELGALVMVHAENGDVIDYLTKKALEDGHTDPIYHALTRPPELEGEATGRACQLTELAGSQLYVVHVSCAQAVEKIAEARNKGLNVWGETCPQYLVLDQSYLEKPNFEGAKYVWSPPLREKWHQEVLWNALKNGQLQTLGSDQCSFDFKGQKELGRGDFTKIPNGGPIIEDRVSILFSEGVKKGRITLNQFVDIVSTRIAKLFGLFPKKGTIAVGADADLVIFDPTVERVISAETHHMAVDYNPFEGMKVTGEPVSVLCRGEFVVRDKQFVGKPGYGQYVKRAKYGALMADQDVVKMS,OC1=NC(c2ccc(O)cc2)C(O)=N1,OC1=NC(c2ccc(O)cc2)C(O)=N1,OC1=NC(c2ccc(O)cc2)C(O)=N1>>,public_strict_iteration1_fulltrue_msa,,0.6901960800285137,,s_b9b722591a44bf1589514ef5,test
catpreddb_km_km_a005ba891d7a40,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.6232492903979004,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_a007d70b20ff08,catpred_iteration1_km,km,A0A6A5PRW8,A0A6A5PRW8,MSIASYAQELKLALHQYPNFPSEGILFEDFLPIFRNPGLFQKLIDAFKLHLEEAFPEVKIDYIVGLESRGFLFGPTLALALGVGFVPVRKAGKLPGECFKATYEKEYGSDLFEIQKNAIPAGSNVIIVDDIIATGGSAAAAGELVEQLEANLLEYNFVMELDFLKGRSKLNAPVFTLLNAQKEALKK,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.610924374808178,,s_db6a960b9088ec5d87007c32,test
catpreddb_km_km_a0095e02276780,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=CC(O)C(O)C(O)COP(=O)(O)O,O=CC(O)C(O)C(O)COP(=O)(O)O,O=CC(O)C(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_a00a7061b0ded1,catpred_iteration1_km,km,P37213,P37213,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.5466816599529624,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_a00aaa1cf451d7,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.0791812460476249,,s_27293a9716281920c2a47964,test
catpreddb_km_km_a034d913b6394a,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CCCCCCCc1ccccc1,O=C(O)CN=C(O)CCCCCCCc1ccccc1,O=C(O)CN=C(O)CCCCCCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_a0368f821c7395,catpred_iteration1_km,km,P51696,P51696,MSAQIIDGKIISQTVRQEVAARVKARTDAGLRAPGLAVVLVGQDPASQIYVGSKRKACEEVGFISKSFDLPSSASEQQLLDLIDELNQDPTMDGILVQLPLPAGMDCTRILERIDPEKDVDGFHPYNVGRLSQRIPKLRSCTPKGIITLLERYNIEVRGKHAVIVGASNIVGRPMTLELLLAGATTTTCHRFTQDLEGHIRQADILVVAVGKPNFIPGGWIKEGATVIDVGINRLENGKLCGDVEFDVACQRAKYITPVPGGVGPMTVASLIENTLLACEQYHSA,Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,Nc1nc2c(c(=O)[nH]1)[N+]1=CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_d9c07e1eb9569ec49d5a27be,test
catpreddb_km_km_a048d7737b9394,catpred_iteration1_km,km,Q5JRX3,Q5JRX3,MWRCGGRQGLCVLRRLSGGHAHHRAWRWNSNRACERALQYKLGDKIHGFTVNQVTSVPELFLTAVKLTHDDTGARYLHLAREDTNNLFSVQFRTTPMDSTGVPHILEHTVLCGSQKYPCRDPFFKMLNRSLSTFMNAFTASDYTLYPFSTQNPKDFQNLLSVYLDATFFPCLRELDFWQEGWRLEHENPSDPQTPLVFKGVVFNEMKGAFTDNERIFSQHLQNRLLPDHTYSVVSGGDPLCIPELTWEQLKQFHATHYHPSNARFFTYGNFPLEQHLKQIHEEALSKFQKIEPSTVVPAQTPWDKPREFQITCGPDSFATDPSKQTTISVSFLLPDITDTFEAFTLSLLSSLLTSGPNSPFYKALIESGLGTDFSPDVGYNGYTREAYFSVGLQGIAEKDIETVRSLIDRTIDEVVEKGFEDDRIEALLHKIEIQMKHQSTSFGLMLTSYIASCWNHDGDPVELLKLGNQLAKFRQCLQENPKFLQEKVKQYFKNNQHKLYEKGLELRSQQSKPQDASCLPALKVSDIEPTIPVTELDVVLTAGDIPVQYCAQPTNGMVYFRAFSSLNTLPEELRPYVPLFCSVLTKLGCGLLDYREQAQQIELKTGGMSASPHVLPDDSHMDTYEQGVLFSSLCLDRNLPDMMQLWSEIFNNPCFEEEEHFKVLVKMTAQELANGIPDSGHLYASIRAGRTLTPAGDLQETFSGMDQVRLMKRIAEMTDIKPILRKLPRIKKHLLNGDNMRCSVNATPQQMPQTEKAVEDFLRSIGRSKKERRPVRPHTVEKPVPSSSGGDAHVPHGSQVIRKLVMEPTFKPWQMKTHFLMPFPVNYVGECIRTVPYTDPDHASLKILARLMTAKFLHTEIREKGGAYGGGAKLSHNGIFTLYSYRDPNTIETLQSFGKAVDWAKSGKFTQQDIDEAKLSVFSTVDAPVAPSDKGMDHFLYGLSDEMKQAHREQLFAVSHDKLLAVSDRYLGTGKSTHGLAILGPENPKIAKDPSWIIQ,COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CO)C(O)=N[C@@H](C)C(O)=N[C@@H](Cc3ccccc3)C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-2.3279021420642825,,s_5f2a570f769667ffa4881e4c,test
catpreddb_km_km_a04c8284f91863,catpred_iteration1_km,km,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,COC(=O)/C=C/c1ccc(O)c(O)c1,COC(=O)/C=C/c1ccc(O)c(O)c1,COC(=O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_c30215f5949a041d7b73c98a,test
catpreddb_km_km_a0609f3b09301e,catpred_iteration1_km,km,Q9Y9L0,Q9Y9L0,MPGSIPLIGERFPEMEVTTDHGVIKLPDHYVSQGKWFVLFSHPADFTPVCTTEFVSFARRYEDFQRLGVDLIGLSVDSVFSHIKWKEWIERHIGVRIPFPIIADPQGTVARRLGLLHAESATHTVRGVFIVDARGVIRTMLYYPMELGRLVDEILRIVKALKLGDSLKRAVPADWPNNEIIGEGLIVPPPTTEDQARARMESGQYRCLDWWFCWDTPASRDDVEEARRYLRRAAEKPAKLLYEEARTHLH,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_a6641eb1f8b5de0ffc3a360b,test
catpreddb_km_km_a0830cbace373c,catpred_iteration1_km,km,Q0RVH7,Q0RVH7,MVIKFGYKASAEQFGPRELVELGVLAEAHGMDSATVSDHFQPWRHEGGHAPFSLAWMTAVGERTSRLQLGTSVMTPTFRYNPAVVAQAFATMGCLYPGRIMLGVGTGEALNEIATGFAGEWPEFKERFARLREAVALMRELWLGDRVDFEGNYYKTVGASIYDVPEGGIPVYIAAGGPVVARYAGRSGDGFICTSGKGMELYTEKLMPAVAEGAEKADRDVAEIDKMIEIKISYDTDPELALENTRFWAPLSLTPEQKHSIDDPIEMERAADALPIEQVAKRWIVASDPDEAVAQIRPYLDAGLNHLVFHAPGHDQKRFLELFQRDLAPRLRGLA,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_a2978e101bff5e0cac5ae56c,test
catpreddb_km_km_a098cb559baa3e,catpred_iteration1_km,km,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,O=Cc1cccnc1,O=Cc1cccnc1,O=Cc1cccnc1>>,public_strict_iteration1_fulltrue_msa,,-0.4571745730408201,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_km_km_a0a9056ac720c0,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.4428498152625017,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_a0c9c7f6b73456,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.0259660612924822,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_a0ceb723af254a,catpred_iteration1_km,km,Q8GLS8,Q8GLS8,MSANNHVGGHALADSDGTAENGSGNGMTRPELIALETGRAFDQDRAEAAVRELLLAVGENPDRPGLIDTPARVARAYREMFAGLYVEPEDVLNTTFDEGHQELVLVRDIPLYSTCEHHLVSFHGVAHVGYIPGKHGRVTGLSKLARLVDLYAKRPQVQERLTSQVADAVMRKLDPRGAIVVVEAEHLCMAMRGIRKPGASTTTSAVRGLLQSSPSSRSEALDLILRK,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_e653b6ff8bc7f5d2c8b96cd5,test
catpreddb_km_km_a0d16134e14476,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.9546770212133424,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_a0e04e69175f7e,catpred_iteration1_km,km,A0A0M3Q1Q3,A0A0M3Q1Q3,MRRSGNYQAPVWNNDFIQSFSTDKYKDEKFLKKKEELIAQVKVLLNTKMEAVKQLELIEDLRNLGLTYYFEDEFKKILTSIYNEHKGFKNEQVGDLYFTSLAFRLLRLHGFDVSEDVFNFFKNEDGSDFKASLGENTKDVLELYEASFLIRVGEVTLEQARVFSTKILEKKVEEGIKDEKLLAWIQHSLALPLHWRIQRLEARWFLDAYKARKDMNPIIYELGKIDFHIIQETQLQEVQEVSQWWTNTNLAEKLPFVRDRIVECYFWALGLFEPHEYGYQRKMAAIIITFVTIIDDVYDVYDTLDELQLFTDAIRKWDVESISTLPYYMQVCYLAVFTYASELAYDILKDQGFNSISYLQRSWLSLVEGFFQEAKWYYAGYTPTLAEYLENAKVSISSPTIISQVYFTLPNSTERTVVENVFGYHNILYLSGMILRLADDLGTTQFELKRGDVQKAIQCYMNDNNATEEEGTEHVKYLLREAWQEMNSAMADPDCPLSEDLVFAAANLGRTSQFIYLDGDGHGVQHSEIHNQMGGLIFEPYV,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.2194493081754723,,s_a13cb7989a7b8c8cf83d7058,test
catpreddb_km_km_a0e91a4bfaf032,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(O)nc4=O)[C@H](O)[C@@H]3O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(O)nc4=O)[C@H](O)[C@@H]3O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(O)nc4=O)[C@H](O)[C@@H]3O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.1053506944202796,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_a0fb171853c41f,catpred_iteration1_km,km,P22045,P22045,MAGVDKAMVTLSNGVKMPQFGLGVWQSPAGEVTENAVKWALCAGYRHIDTAAIYKNEESVGAGLRASGVPREDVFITTKLWNTEQGYESTLAAFEESRQKLGVDYIDLYLIHWPRGKDILSKEGKKYLDSWRAFEQLYKEKKVRAIGVSNFHIHHLEDVLAMCTVTPMVNQVELHPLNNQADLRAFCDAKQIKVEAWSPLGQGKLLSNPILSAIGAKYNKTAAQVILRWNIQKNLITIPKSVHRERIEENADIFDFELGAEDVMSIDALNTNSRYGPDPDEAQF,CCCCCC(O)C=CC1C2CC(OO2)C1CC=CCCCC(=O)O,CCCCCC(O)C=CC1C2CC(OO2)C1CC=CCCCC(=O)O,CCCCCC(O)C=CC1C2CC(OO2)C1CC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_32000de84ce188b22e1d028d,test
catpreddb_km_km_a103d4e79c80f1,catpred_iteration1_km,km,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7795093570777937,,s_2925763e116557ae8a1c8b26,test
catpreddb_km_km_a10ceaa0c937ec,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_a11ef811c50524,catpred_iteration1_km,km,Q20065,Q20065,MRAVLLVCLLAGLAHADLFTAIADLQHMLGAEKDVTTIIDQYIEAERARLDDLRRYAHEYVHRNAHAESVGPEFVTNPINAYLLIKRLTTEWKKVENIMLNNKASTFLKNITDNRVRSEVKFPGEEDLSGAATALLRLQDTYSLDTLDLSNGIIGGEKVSNKLSGHDTFEVGRSAYNQKDYYHCLMWMQVALVKIENENPPTIEEWEILEYLAYSLYQQGNVRRALSLTKRLAKIAPNHPRAKGNVKWYEDMLQGKDMVGDLPPIVNKRVEYDGIVERDAYEALCRGEIPPVEPKWKNKLRCYLKRDKPFLKLAPIKVEILRFDPLAVLFKNVIHDSEIEVIKELASPKLKRATVQNSKTGELEHATYRISKSAWLKGDLDPVIDRVNRRIEDFTNLNQATSEELQVANYGLGGHYDPHFDFARKEEKNAFKTLNTGNRIATVLFYMSQPERGGATVFNHLGTAVFPSKNDALFWYNLRRDGEGDLRTRHAACPVLLGVKWVSNKWIHEKGQEFTRPCGLEEEVQENFIGDLSPYANDP,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_e144ac3184fb273d67172e22,test
catpreddb_km_km_a14b66d9e3da1a,catpred_iteration1_km,km,A0A2G9R735,A0A2G9R735,MTYVTWKLSGLPQHKVIGSGTNLDSARFRYLIAQKLGINTSSCHGYVLGEHGDSSVPIWSGVNVAGVALQSLNPDIGTDKDPENWKQVHKDVVASAYDVIRLKGYTNWAIGMSVADLAESILKNLSRVHPISTMVKGFYGIENEVFLSLPCVLNEQGLVQVVNQKLTDDEKAQLQKSAETLWSIQKDLKDL,CC(O)C(=O)O,CC(O)C(=O)O,CC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.6232492903979006,,s_f5d3d61dabc4c3b6d6c5faa6,test
catpreddb_km_km_a151beca8af3fb,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,C[C@@H](NCC(=O)O)C(=O)O,C[C@@H](NCC(=O)O)C(=O)O,C[C@@H](NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9623693356700213,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_a16f3ec9cd73fa,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.8181564120552275,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_a16fb6dfa2fb2f,catpred_iteration1_km,km,Q88VY1,Q88VY1,MKRIGILTSGGDAPGMNAAVRAVAGKAMAEGLEAYGINYGFAGLVAGDIHKIEAADLDGVIQRGGTLLYSARYPEFAHEEGQLKGIEQLKRFGIDALVVIGGDGSYHGALRLTEHGYNTIGLPGTIDNDIPYTDFTIGFDTAVNTNVQALDRIYDTAHSHDRTFVVEVMGRGAGDVALWSGVSIGATAIVVPEVDWDMEEIANKIKHNRANGHRSNLIVLAEGVMGAQEFVEKLSEYGDFDARGNTIAHMQRGGNPTAKDRVMASKMGAYAVELLLAGKGGLAVGIQNNQLVNHNILDLFESKHDVEVSLDKLNEEISFK,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3384867960694965,,s_f699f08dfdfd9e2679564995,test
catpreddb_km_km_a17ce93c44367f,catpred_iteration1_km,km,A9A1Y1,A9A1Y1,MTDSPILSPKSIAVIGASDKRGSVGATITSNIMNGFKGTVYPISPTRDTVFYKKAYKSVLDVPKSIDLAVIVIKNTLVTPVLEECGKKKIKGVIIITAGFKEVDEEGAKREQQVIDIAKKYNMQVVGPNCLGVMNLDSKTMMNSTFLKVTPKSGKIALVSQSGAICAALVEDASAQGIGFSAVVSLGNKAVMSEVDVLKILANHKQTEVIVMYLEDMGDGQEFLKVCKNITKKLKKPVLVLKSGRSPEGAKAAMSHTGALMGSDEIYDALLKQSGAIRVDTMEELFDYATAFSKQPLPSNGDLVIVSNAGGPAIISTDACSKAKIKMADITSIRKKIDEVIPPWGSSRNPVDIVGDADFNRFHNVLDRVLKHPKVGSVISMCTPSGTLNYDKLAEVIVEMSKKYKKTMLASLMGLDEGVTNREILADGNVPYYTYAEGAIRTLAAMIRFSDWVKSSPGKITKFKVNKAKAKKIFDQVKKEKRPNLLEEEGQEVLKAYGLPLPKSTLAKNEAEAVKAAKKIGYPVVMKIASPQIIHKSDAGGVKVNLTNDAEVKDAFKTIVKNAKKYNKKAEIKGVLIVEMVKGGKELIIGSKLEPGFGPVIMLGMGGIYVEVLKDVTFKLAPVTDKEADDMIASIKTQKLLQGVRGEKPSDIVKLSECIQRLSQLVSDFKEIKELDMNPVLVMEKGKGCRILDVRIGL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6575773191777937,,s_f1f5a52277c04678b561d2de,test
catpreddb_km_km_a1965e353a072b,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2006594505464183,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_a1a4e87db8b31c,catpred_iteration1_km,km,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,O=Cc1ccncc1,O=Cc1ccncc1,O=Cc1ccncc1>>,public_strict_iteration1_fulltrue_msa,,0.0530784434834196,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_km_km_a1b107c4d3ec25,catpred_iteration1_km,km,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CCO)cc(OC)c1O,COc1cc(C=CCO)cc(OC)c1O,COc1cc(C=CCO)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.7218487496163564,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_km_km_a1b180e76f106e,catpred_iteration1_km,km,P78417,P78417,MSGESARSLGKGSAPPGPVPEGSIRIYSMRFCPFAERTRLVLKAKGIRHEVININLKNKPEWFFKKNPFGLVPVLENSQGQLIYESAITCEYLDEAYPGKKLLPDDPYEKACQKMILELFSKVPSLVGSFIRSQNKEDYAGLKEEFRKEFTKLEEVLTNKKTTFFGGNSISMIDYLIWPWFERLEAMKLNECVDHTPKLKLWMAAMKEDPTVSALLTSEKDWQGFLELYLQNSPEACDYGL,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.064393429321299,,s_ea67d971c2ad6ec7530d5905,test
catpreddb_km_km_a1be323434e004,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_a1c1024bf22875,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.6675380532809592,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_a1c15cc0f8eb69,catpred_iteration1_km,km,Q04212,Q04212,MVNEKVNPFDLASVSPLVLGGAILNQQYTDEPESIPLEDIIKYAFSHGINAIDTSPYYGPSEVLYGRALSNLRNEFPRDTYFICTKVGRIGAEEFNYSRDFVRFSVHRSCERLHTTYLDLVYLHDVEFVKFPDILEALKELRTLKNKGVIKNFGISGYPIDFITWLAEYCSTEESDIGSLDAVLSYCNLNLQNNKLLNFRERLLRNAKLKMVCNASILSMSLLRSQETRQFHPCSHELRECASQAAKYCQEQNVDLADLATRYAISEWVGKGPVVLGVSSMEELKLALDNYEIVKSNGNRLSSKDGQLVEYIQKNIFKEHFNEEWSSGIPHPEMI,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O,OC1COC(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.3052528402960912,,s_1b480b479e86e0133ff3f910,test
catpreddb_km_km_a1c9aaa0815cc3,catpred_iteration1_km,km,M4I1C6,M4I1C6,MGNETVVVAETAGSIKVAVVVCLLRGQNVLLGRRRSSLGDSTFSLPSGHLEFGESFEECAARELKEETDLDIGKIELLTVTNNLFLDEAKPSQYVAVFMRAVLADPRQEPQNIEPEFCDGWGWYEWDNLPKPLFWPLDNVVQDGFNPFPT,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.318758762624413,,s_2822b67b5d5cb0c5e995b9cf,test
catpreddb_km_km_a1fb7335fe0ef5,catpred_iteration1_km,km,O64437,O64437,MFIESFRVESPHVRYGAAEIESDYQYDTTELVHESHDGASRWIVRPKSVRYNFRTTTTVPKLGVMLVGWGGNNGSTLTAGVIANREGISWATKDKVQQANYYGSLTQASTIRVGSYNGEEIYAPFKSLLPMVNPDDLVFGGWDISNMNLADAMTRAKVLDIDLQKQLRPYMESMVPLPGIYDPDFIAANQGSRANNVIKGTKKEQMEQIIKDIREFKEKSKVDKVVVLWTANTERYSNVCVGLNDTMENLLASVDKNEAEISPSTLYAIACVMEGIPFINGSPQNTFVPGLIDLAIKNNCLIGGDDFKSGQTKMKSVLVDFLVGAGIKPTSIVSYNHLGNNDGMNLSAPQTFRSKEISKSNVVDDMVSSNAILYELGEHPDHVVVIKYVPYVGDSKRAMDEYTSEIFMGGKSTIVLHNTCEDSLLAAPIILDLVLLAELSTRIQLKAEGEEKFHSFHPVATILSYLTKAPLVPPGTPVVNALAKQRAMLENIMRACVGLAPENNMILEYK,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3857937404406276,,s_412c330e5a4ac7faa11fcc10,test
catpreddb_km_km_a20cbd41f53e32,catpred_iteration1_km,km,P11032,P11032,MRNASGPRGPSLATLLFLLLIPEGGCERIIGGDTVVPHSRPYMALLKLSSNTICAGALIEKNWVLTAAHCNVGKRSKFILGAHSINKEPEQQILTVKKAFPYPCYDEYTREGDLQLVRLKKKATVNRNVAILHLPKKGDDVKPGTRCRVAGWGRFGNKSAPSETLREVNITVIDRKICNDEKHYNFHPVIGLNMICAGDLRGGKDSCNGDSGSPLLCDGILRGITSFGGEKCGDRRWPGVYTFLSDKHLNWIKKIMKGSV,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1,NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)SCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_2717a1dc500e71829f5ad886,test
catpreddb_km_km_a20f6ded08a799,catpred_iteration1_km,km,Q8CFX1,Q8CFX1,MLLAAMCLALLGCLQAQELKGHVSIILLGATGDLAKKYLWQGLFQLYLDEAGKGHSFSFHGAALTAPQQGQKLMDKVLESLSCPKDLVPSRCDELKGQFLQLSQYRQLKTVEDYQTLNKDIETQVQQDGLWEAGRIFYFSVPPFAYADIARNINSSCRPHPGAWLRVVFEKPFGHDHLSAQQLASELGSFFQEEEMYRVDHYLGKQAVAQILPFRDQNRKALDGLWNRHHVERVEIILKETIDAEGRASFYEEYGVIRDTLQNHLTEILTLVAMELPLNISSSAAVLQHKLWAFQALRGLQKSSAILGQYQAYSGQVRRELQKPDGFQSLTPTFAGVLVHIDNLRWEGVPFILMSGKALDERVGYVRIVFKNRAYCTQSERHWVPEQSRCLPQQIIFYIGHGELGHPAILVSRNLFKPSLPTQKWKEVQDQPGLRLFGRPLSDYYAYRPVREQDAYSTLLSHIFHCRKESFITTENLLASWVFWTPLLDSLAFEVPRPYPGGAENGQLLDFEFSGGQLTFSQQQLEVLIPDLGSVPKPSDFQVLGARYRQSPLITAWPEELISKLASDIEAAAVQAVRHFGKFHLALSGGSSPIALFQQLATGHYSFPWAHTHLWLVDERCVPLSDPDSNFQGLQAHLLQHVRVPYYNIHPMPVHLHQRLCAEEDQGAQTYASEISALVANSSFDLVLLGMGTDGHTASLFPQSPTGLDGDQLVVLTESPFRPHQRMSLSLPLINRAKKVAVLVMGRTKREITTLVSRVGHEPKKWPISGVVPLSGQLVWYMDYEAFLG,O=P(O)(O)OCC1OC(O)CC(O)C1O,O=P(O)(O)OCC1OC(O)CC(O)C1O,O=P(O)(O)OCC1OC(O)CC(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4231675666671918,,s_c9e6061fcb35fa36b2f38e0f,test
catpreddb_km_km_a21f38adbf010c,catpred_iteration1_km,km,I3RYX9,I3RYX9,MNLEKFVDELPIPEVAEPVKKNPRQTYYEIAMEEVFLKVHRDLPPTKLWTYNGSLPGPTIHANRNEKVKVKWMNKLPLKHFLPVDHTIHEGHHDEPEVKTVVHLHGGVTPASSDGYPEAWFSRDFEATGPFFEREVYEYPNHQQACTLWYHDHAMALTRLNVYAGLAGFYLISDAFEKSLELPKDDYDIPLMIMDRTFQEDGSLFYPSRPNDTPEDSDIPDPSIVPFFCGETILVNGKVWPYLEVEPRKYRFRILNASNTRTYELHLDNDATIMQIGSDGGFLPRPVRHQSFSIAPAERFDVIIDFSAYENKTITLKNTAGCGQDVNPETDANIMQFKVTRPLKGRVPKTLRPIFKPLPPLRPSRADRERTLTLTGTQDKYGRPILLLDNHFWNDPVTENPRLGSLEVWSIVNPTRGTHPIHLHLVQFRVIDRRPFDTEVYQSTGEIVYTGPNEAPPLHEQGYKDTIQAHAGEVIRIVARFVPYTGRYVWHCHILEHEDYDMMRPMDIIQ,COc1ccccc1O,COc1ccccc1O,COc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,0.8450980400142568,,s_a45c77f876b0fbcc5adde9ef,test
catpreddb_km_km_a24694aad64f84,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(O)=N[C@H](C)C(=O)O,CC(O)=N[C@H](C)C(=O)O,CC(O)=N[C@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,3.146128035678238,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_a24c2dc675b5a4,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-4.187086643357144,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_a24e69c8d1d445,catpred_iteration1_km,km,P08077,P08077,MSSSDHIHVPDGLAESYSRSGGEEGRAWIAGLPALVARCVDRWELKRDGGVRSGEASLVVPVLRADGTRAALKLQMPREETTAALIGLRAWGGDGMVRLLDHDEESSTMLLERLDGSRTLASVEDDDEAMGVLAGLLNRLHSVPAPPGLRGLGEIAGAMVEEVPSAVDSLADPEDRSRLRGWASAVAELVGEPGDRVLHWDLHYENVLAAEREPWLAIDPEPLVGDPGFDLWPALDTGWERIEATGDARRVVRRRFDLLTESLELDRGRAAGWTLARLLQNTLWDIEDGLTAIAPSQIAVAEALAKP,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_22acfffc40458a5bd935a5a3,test
catpreddb_km_km_a250c2093dd24e,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.581864501574768,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_a252d908fcd373,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,N=C(O)C[C@H](N)C(=O)O,N=C(O)C[C@H](N)C(=O)O,N=C(O)C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6875225520586365,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_a268031fcc08b9,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_a284428e3fb6f9,catpred_iteration1_km,km,Q9SMJ3,Q9SMJ3,MATCSAYLCCPATSASLKKRVFPDGSAGFLFFGGRRLSNRLVTPKSVIRADLNSMVSDMSTNAPKGLFPPEPEHYRGPKLKVAIIGAGLAGMSTAVELLDQGHEVDIYESRTFIGGKVGSFVDKRGNHIEMGLHVFFGCYNNLFRLMKKVGAEKNLLVKEHTHTFVNKGGEIGELDFRFPVGAPLHGINAFLSTNQLKTYDKARNAVALALSPVVRALVDPDGALQQIRDLDSVSFSDWFMSKGGTRASIQRMWDPVAYALGFIDCDNISARCMLTIFALFATKTEASLLRMLKGSPDVYLSGPIKKYIIDKGGRFHLRWGCREVLYETSSDGSMYVSGLAMSKATQKKIVKADAYVAACVVPGIKRLVPQKWRELEFFGNIYKLIGVPVVTVQLRYNGWVTELQDLERSRQSKRATGLDNLLYTPDADFSCFADLALASPEDYYIEGQGSLLQCVLTPGDPYMPLPNEEIIRRVSKQVLALFPSSQGLEVTWSSVVKIGQSLYREGPGKDPFRPDQKTPVENFFLAGSYTKQDYIDSMEGATLSGRQASAYICDAGEQLLALRKKIAAAELNEISKGVSLSDELSLV,CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C,CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C,CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_93c291c369b78e813602d327,test
catpreddb_km_km_a296a0e25e509f,catpred_iteration1_km,km,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O,NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O,NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4609239012072233,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_km_km_a29de348632eb6,catpred_iteration1_km,km,Q8N4J0,Q8N4J0,MQRRRRPPPPTSRLPEGCGGGGGGSEEVEVQFSAGRWGSAAAVSAAAAAATRSTEEEEERLEREHFWKIINAFRYYGTSMHERVNRTERQFRSLPANQQKLLPQFLLHLDKIRKCIDHNQEILLTIVNDCIHMFENKEYGEDGNGKIMPASTFDMDKLKSTLKQFVRDWSETGKAERDACYQPIIKEILKNFPKERWDPSKVNILVPGAGLGRLAWEIAMLGYACQGNEWSFFMLFSSNFVLNRCSEINKYKLYPWIHQFSNNRRSADQIRPIFFPDVDPHSLPPGSNFSMTAGDFQEIYSECNTWDCIATCFFIDTAHNVIDYIDTIWKILKPGGIWINLGPLLYHFENLANELSIELSYEDIKNVVLQYGFKVEVEKESVLSTYTVNDLSMMKYYYECVLFVVRKPQ,NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O,NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6954816764901974,,s_480b955f6b56cd604a59a8c8,test
catpreddb_km_km_a2af6e6bf37dfb,catpred_iteration1_km,km,Q9QXN5,Q9QXN5,MKVDVGPDPSLVYRPDVDPEMAKSKDSFRNYTSGPLLDRVFTTYKLMHTHQTVDFVSRKRIQYGSFSYKKMTIMEAVGMLDDLVDESDPDVDFPNSFHAFQTAEGIRKAHPDKDWFHLVGLLHDLGKIMALWGEPQWAVVGDTFPVGCRPQASVVFCDSTFQDNPDLQDPRYSTELGMYQPHCGLENVLMSWGHDEYLYQMMKFNKFSLPSEAFYMIRFHSFYPWHTGGDYRQLCSQQDLDMLPWVQEFNKFDLYTKCPDLPDVESLRPYYQGLIDKYCPGTLSW,OC1C(O)C(O)C(O)C(O)C1O,OC1C(O)C(O)C(O)C(O)C1O,OC1C(O)C(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.9518978550959072,,s_96ef870cec881ab11687152e,test
catpreddb_km_km_a2b6a24de6acd1,catpred_iteration1_km,km,Q9WY06,Q9WY06,MKKLTVYLATTNPHKVEEIKMIAPEWMEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFMEEHSYKEKMRTILKMLEGKDRRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDPFFIPDGYDKTFGEIPHLKEKISHRSKAFRKLFSVLEKILESENR,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7571392867592099,,s_6bd796007fbd75e266556426,test
catpreddb_km_km_a2b722e5e913a2,catpred_iteration1_km,km,A0A0M3Q1Q3,A0A0M3Q1Q3,MRRSGNYQAPVWNNDFIQSFSTDKYKDEKFLKKKEELIAQVKVLLNTKMEAVKQLELIEDLRNLGLTYYFEDEFKKILTSIYNEHKGFKNEQVGDLYFTSLAFRLLRLHGFDVSEDVFNFFKNEDGSDFKASLGENTKDVLELYEASFLIRVGEVTLEQARVFSTKILEKKVEEGIKDEKLLAWIQHSLALPLHWRIQRLEARWFLDAYKARKDMNPIIYELGKIDFHIIQETQLQEVQEVSQWWTNTNLAEKLPFVRDRIVECYFWALGLFEPHEYGYQRKMAAIIITFVTIIDDVYDVYDTLDELQLFTDAIRKWDVESISTLPYYMQVCYLAVFTYASELAYDILKDQGFNSISYLQRSWLSLVEGFFQEAKWYYAGYTPTLAEYLENAKVSISSPTIISQVYFTLPNSTERTVVENVFGYHNILYLSGMILRLADDLGTTQFELKRGDVQKAIQCYMNDNNATEEEGTEHVKYLLREAWQEMNSAMADPDCPLSEDLVFAAANLGRTSQFIYLDGDGHGVQHSEIHNQMGGLIFEPYV,CC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C\COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_a13cb7989a7b8c8cf83d7058,test
catpreddb_km_km_a2c89bf10488b3,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C>>,public_strict_iteration1_fulltrue_msa,,-3.9746941347352296,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_a2d4923940c02b,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)OCc1ccccc1,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)OCc1ccccc1,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.1782736617569062,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_a2e0405a2eda77,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2,C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2,C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_f28c949d1503440bae214094,test
catpreddb_km_km_a2e765258ccc7a,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(C)(CO)C(=O)C(=O)O,CC(C)(CO)C(=O)C(=O)O,CC(C)(CO)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_a2eaafb668d67e,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](CCC(O)=NO)C(=O)O,N[C@@H](CCC(O)=NO)C(=O)O,N[C@@H](CCC(O)=NO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_a2edbc0bc0373c,catpred_iteration1_km,km,P28037,P28037,MKIAVIGQSLFGQEVYCQLRKEGHEVVGVFTIPDKDGKADPLGLEAEKDGVPVFKFPRWRARGQALPEVVAKYQALGAELNVLPFCSQFIPMEVINAPRHGSIIYHPSLLPRHRGASAINWTLIHGDKKGGFTIFWADDGLDTGDLLLQKECEVLPDDTVSTLYNRFLFPEGIKGMVQAVRLIAEGTAPRCPQSEEGATYEGIQKKETAKINWDQPAEAIHNWIRGNDKVPGAWTEACGQKLTFFNSTLNTSGLSTQGEALPIPGAHRPGVVTKAGLILFGNDDRMLLVKNIQLEDGKMMPASQFFKGSASSDLELTEAELATAEAVRSSWMRILPNVPEVEDSTDFFKSGAASVDVVRLVEEVKELCDGLELENEDVYMATTFRGFIQLLVRKLRGEDDESECVINYVEKAVNKLTLQMPYQLFIGGEFVDAEGSKTYNTINPTDGSVICQVSLAQVSDVDKAVAAAKEAFENGLWGKINARDRGRLLYRLADVMEQHQEELATIEALDAGAVYTLALKTHVGMSIQTFRYFAGWCDKIQGATIPINQARPNRNLTLTKKEPVGVCGIVIPWNYPLMMLSWKTAACLAAGNTVVIKPAQVTPLTALKFAELTLKAGIPKGVVNILPGSGSLVGQRLSDHPDVRKIGFTGSTEVGKHIMKSCALSNVKKVSLELGGKSPLIIFADCDLNKAVQMGMSSVFFNKGENCIAAGRLFVEESIHNQFVQKVVEEVEKMKIGNPLERDTNHGPQNHEAHLRKLVEYCQRGVKEGATLVCGGNQVPRPGFFFQPTVFTDVEDHMYIAKEESFGPIMIISRFADGDVDAVLSRANATEFGLASGVFTRDINKALYVSDKLQAGTVFINTYNKTDVAAPFGGFKQSGFGKDLGEAALNEYLRIKTVTFEY,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.1951793212788376,,s_e9083d4b047cf72b001f9806,test
catpreddb_km_km_a2f69e8eb8b107,catpred_iteration1_km,km,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,N[C@@H](CCS)C(=O)O,N[C@@H](CCS)C(=O)O,N[C@@H](CCS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1530373242713223,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_km_km_a30eb3cc6cac78,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2,N=c1nc(O)c2c([nH]1)NCC(COP(=O)(O)OP(=O)(O)O)=N2>>,public_strict_iteration1_fulltrue_msa,,-2.5686362358410126,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_a3115108bd90b1,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCCCCC/C=C\CCCCC(=O)[O-],CCCCCCCCCCC/C=C\CCCCC(=O)[O-],CCCCCCCCCCC/C=C\CCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_a32684fe00061e,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1,O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1,O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1>>,public_strict_iteration1_fulltrue_msa,,-0.3279021420642826,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_a330f5da6817e2,catpred_iteration1_km,km,G2IKV5,G2IKV5,MDQFNKTIKGIKDRGAAQLFIDGEWRASSGSNELTVVTPHNEETVLTYIEPTTADVDIAVAAARKAFDQGPWPRMSPAERGTYLKKVSDLLMARMPELAEAWTGQVGAVIGFTSKASYQVPGLFKFYGELNDSYPFIEERIGSMGGNKVRVVQEPVGVVAAVTPWNAPLVLLVYKVAAALAAGCTMVCKPSPETPIDAHILAECIKDAGIPAGVFNMLPAGREVGDHLIRHPGVDKISFTGSTAAGKHIAGVASERLARVSLELGGKSAAMILEDADMDHVLKSLVPYSMPITGQVCFSLTRVLVPKSRKAEIVDAYTSAVSKVKVGDPFQADVGMGPLTMQRQLERVQGYIEKGKAEGATLALGGGRPADLNRGFFVEPTVFTDVDPNMTIFKEEIFGPVVSFVDYDNEADMIAKANDTIYGLHGAVYTQDAERGFAVAREYRAGSVTINGMMVDIHMPFGGFKQSGIGRDGGLEGLENYLETKAVYFA,COc1cc(C=O)ccc1O,COc1cc(C=O)ccc1O,COc1cc(C=O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-3.3279021420642825,,s_02b5510e5f9d2109bddd90ce,test
catpreddb_km_km_a33c55ee9ba6e3,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1O,C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1O,C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)CC1O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_a3474a940483f8,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6108339156354676,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_a3633ca8b76988,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_a3682a9ab8c7d1,catpred_iteration1_km,km,A0A286XYM2,A0A286XYM2,MQRGGTGGVVAGLPETHSAQAWAGHLETVAAAVSEPVVGLSPFQPGGCILRRGGGWGRDQDWIRDGRGGSRGRWAGRGGSGCPRQCRAGPSRCLEPRGTRPCRASQRPVLPCRQPRVPAYLQPGVMEPVLVVHGGGASCISCERRQRVRQGVIRAASLGHGVLRAGGSAVDAVEAAVAALEDDAEFNAGHGSVLTENGDVEMDASIMDGRDLGAGAVSAVRCIANPIKLARLVMDKTPHCFLTGQGAAKFAADMGISEIPGEQLVTERNRKRLEKERQEKDASSPDCPKNLGTVGAVALDCKGNVAYATSTGGIVNKMTGRVGDSPCIGSGGYADNSIGAVSTTGHGESILKVNLARLALFHLEQGKTVDEAADLALGYMKSRLKGLGGLILVSRTGEWVAKWTSTSMPWAAVKGGKVHAGIDLNDTTVTDLC,N[C@@H](CC(O)=N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,N[C@@H](CC(O)=N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,N[C@@H](CC(O)=N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3872161432802645,,s_13b67c475ddb87643f74c8f0,test
catpreddb_km_km_a370c713214223,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,CC(=O)C(=O)c1ccccc1,CC(=O)C(=O)c1ccccc1,CC(=O)C(=O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-3.096910013008056,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_a37fb50f5d7687,catpred_iteration1_km,km,C4LWC7,C4LWC7,MVFVIGITGRICSGKSTLSKTLIKRKIPVIDCDKLGHELYQKGSIVYNDFIKLFGKEVVGVDGSIDRKKLSELVFSNPQNVKIISDLTWPAIYTLLQERIKVLEKEGHPIVGVEAALLIRANWSIVNVIWETRIDEAETIKRLKTRNGLSEEQAKKRIQSQPTQEEYDNKSQVQINTMGTIEETATLINKEVDKLLEQLKITLN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_1c265de126553ecec4f9f7ff,test
catpreddb_km_km_a3aa85ac37e197,catpred_iteration1_km,km,Q96EY8,Q96EY8,MAVCGLGSRLGLGSRLGLRGCFGAARLLYPRFQSRGPQGVEDGDRPQPSSKTPRIPKIYTKTGDKGFSSTFTGERRPKDDQVFEAVGTTDELSSAIGFALELVTEKGHTFAEELQKIQCTLQDVGSALATPCSSAREAHLKYTTFKAGPILELEQWIDKYTSQLPPLTAFILPSGGKISSALHFCRAVCRRAERRVVPLVQMGETDANVAKFLNRLSDYLFTLARYAAMKEGNQEKIYMKNDPSAESEGL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.1460448932652225,,s_c05ed9d778c2d8a115aa475c,test
catpreddb_km_km_a3be811db8b6dc,catpred_iteration1_km,km,A0A2G9R735,A0A2G9R735,MTYVTWKLSGLPQHKVIGSGTNLDSARFRYLIAQKLGINTSSCHGYVLGEHGDSSVPIWSGVNVAGVALQSLNPDIGTDKDPENWKQVHKDVVASAYDVIRLKGYTNWAIGMSVADLAESILKNLSRVHPISTMVKGFYGIENEVFLSLPCVLNEQGLVQVVNQKLTDDEKAQLQKSAETLWSIQKDLKDL,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217623,,s_f5d3d61dabc4c3b6d6c5faa6,test
catpreddb_km_km_a3d3493ee138b3,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CSCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,CSCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,CSCC[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_a3ecd8789b0ccb,catpred_iteration1_km,km,Q04728,Q04728,MRISSTLLQRSKQLIDKYALYVPKTGSFPKGFEVGYTASGVKKNGSLDLGVILNTNKSRPSTAAAVFTTNKFKAAPVLTSKKVLETARGKNINAIVVNSGCANSVTGDLGMKDAQVMIDLVNDKIGQKNSTLVMSTGVIGQRLQMDKISTGINKIFGEEKFGSDFNSWLNVAKSICTTDTFPKLVTSRFKLPSGTEYTLTGMAKGAGMICPNMATLLGFIVTDLPIESKALQKMLTFATTRSFNCISVDGDMSTNDTICMLANGAIDTKEINEDSKDFEQVKLQVTEFAQRLAQLVVRDGEGSTKFVTVNVKNALHFEDAKIIAESISNSMLVKTALYGQDANWGRILCAIGYAKLNDLKSLDVNKINVSFIATDNSEPRELKLVANGVPQLEIDETRASEILALNDLEVSVDLGTGDQAAQFWTCDLSHEYVTINGDYRS,CC(=O)NC(CCCN)C(=O)O,CC(=O)NC(CCCN)C(=O)O,CC(=O)NC(CCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4471580313422192,,s_c25779cf9234d643469dc8ec,test
catpreddb_km_km_a3f50913a99a64,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_a3fcc1a3c7499f,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)[C@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-3.45842075605342,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_a405301f4a5144,catpred_iteration1_km,km,O93715,O93715,MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGTDREIVNGKLTLSTLPKGKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKSIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVWMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADVNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNGQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGEIKIRILWE,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0864405631534783,,s_c19e830ed49d0a07c636f4cf,test
catpreddb_km_km_a40688f10ac93c,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-3.1936080716401323,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_a41802452b469c,catpred_iteration1_km,km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public_strict_iteration1_fulltrue_msa,,1.1038037209559568,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_a428864f9f774d,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.634224421428076,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_a435ba997787d2,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N=C(C)O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0893755951107988,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_a44ddfcb5924cd,catpred_iteration1_km,km,O28635,O28635,MAEFEIYREYVDKSYEPQKDDIVAVFRITPAEGFTIEDAAGAVAAESSTGTWTSLHPWYDEERVKGLSAKAYDFVDLGDGSSIVRIAYPSELFEPHNMPGLLASIAGNVFGMKRVKGLRLEDLQLPKSFLKDFKGPSKGKEGVKKIFGVADRPIVGTVPKPKVGYSAEEVEKLAYELLSGGMDYIKDDENLTSPAYCRFEERAERIMKVIEKVEAETGEKKSWFANITADVREMERRLKLVAELGNPHVMVDVVITGWGALEYIRDLAEDYDLAIHGHRAMHAAFTRNAKHGISMFVLAKLYRIIGIDQLHIGTAGAGKLEGQKWDTVQNARIFSEVEYTPDEGDAFHLSQNFHHIKPAMPVSSGGLHPGNLEPVIDALGKEIVIQVGGGVLGHPMGAKAGAKAVRQALDAIISAIPLEEHAKQHPELQAALEKWGRVTPI,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,-1.2924298239020635,,s_f607cb2d497e3edc6baff1a2,test
catpreddb_km_km_a466bbdcbd84ec,catpred_iteration1_km,km,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O,OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O,OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.5992638432392643,,s_48e9b1367836a0093d7ae75d,test
catpreddb_km_km_a46cce839497b2,catpred_iteration1_km,km,Q97U94,Q97U94,MIWIEDENGNKYQCDSNGNCENLAIVKVNTKEYNNDGKIYSIEGKSFVKLSKFPITLKLNLKADQILSLTTQQIYSEVYGKAFTYYNQLAIDMEPVTEPPKELKYDIKSLDHEKYIRTYPCWLYPVFNNIPDYTVFALVKSGNSYEAFFTLSNNYVTAYLFGDSVRLYTGFNTDEIKRSYFLSIGTSDNPYKAIENAINIASKETFTFKLRKEKGFPDKVMNGLGWCSWNAFLTKDLNEENLIKVVKGIIERGLRLNWVIIDDGWQDQNNDRAIRSLNPDNKKFPNGFKNTVRAIKSLGVKYVGLWHAINAHWGGMSQELMKSLNVNGYFTNFLNSYVPSPNLEDAIGFYKAFDGNILRDFDLVKVDNQWVIHAIYDSFPIGLASRNIQIALQYSVGKDVINCMSMNPENYCNYFYSNVMRNSIDYVPFWKDGTKLHIMFNAYNSLLTSHIVYPDYDMFMSYDPYAKVHLVARVFSGGPIYITDRHPERTNIELLRMAVLPNGEVIRVDEPALITEDLLFKDPLRERVLLKLKGKVKGYNAIAFFNLNSGEVEEEYNNNEDYYYYKVFSGEFGVGKFNVKLRELDAEVVITFPKSNRVIGLREYILPPFTVIVSDNVVIPKADGTLLYVKDTELNEVKAREGIPVTIE,O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.0793573871931568,,s_71c2ba37809081a077823ddf,test
catpreddb_km_km_a47ebee26fcab7,catpred_iteration1_km,km,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.2518119729937995,,s_05faba509306d0ae6d9f3eea,test
catpreddb_km_km_a4826f3a38a968,catpred_iteration1_km,km,G1U5X6,G1U5X6,MALAISAARVWGPRRQAVPLLLRQLGARGLTRSQLPRWQQQQQFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYQSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALENTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDRGKGRQMPVHYGCKERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGIMSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHFLLSRGWWDEEQEKAWRKQSRKKVMEAFEQAERKLKPSPSLLFSDVYQEMPPQLRKQQESLARHLQTYGEHYPLDHFDK,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O,CCC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2279659778248622,,s_e20fe1e71bdaa77d152d5f75,test
catpreddb_km_km_a49094619bb8a9,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,OC1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_a494a5881b00dc,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,O=Cc1ccccc1,O=Cc1ccccc1,O=Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.0499291822474583,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_a49fe30bcc22fb,catpred_iteration1_km,km,D6XZ22,D6XZ22,MHEIGEHLTTNTGWDIIKNRYEAAQAITEGSNFMIGNGFMGYRGTFAEDGKDAYAACIVTDTWDKADGKWEELSTVPNALLTLLHVDGEPFIMSEEAASFERTLDLSQGVTSRKVSQRMKNGATITIHEEKFASYRKKHAVLMKYTVESDQDTDAVLDTGIDYDVWSINGDHLQGHHYFSHPTGDGVTAKTVSYEDTVTVVETCSLDADASEEDYQNPDGSGRTFSLSLEAGKPVTLEKAMIIYSSNDVDNPQDEALLEAKHMQSYEEEKAANRLEWDNLWSHYDVTIQNNIIDQVALRFNIYHAIIATPVHKSLPIGARGLSCQAYQGAAFWDQEIYNMPMYLYSNPEIARNILKYRHRTLDGARRKAKRLGYEGAYYAWISGKTGDELCPDFFFKDVLSGRDIRNHFNDWQIHISPDIAYAVKKYHQVTGDDAFIRDYGAEMIFEIARFLASHAVYKPMRGRYEFMRVQGPDEYHENVDNNAFTNHQAMFTLQAADELLQTLDEKTLSAVKEKIGLSDDEISLWRDMLANTYVPKPDKHGIIEQFDGYYDLETIIPAKKVTERLIKEDEYYGYPNGVTVRTQCIKQADVIQLFVLHPHLYDRKTVELNYEFYEPRTLHFSSLSPSSYAIVAAQIDKVEEAYRNFRKSVMIDLLNTNEAVSGGTFIGGIHTAANGASWQMVVNGFGGLSVHGDDIHLSPRLPDAWDGYTFKAIVKGQTLEVDVTKEQITITNKSEDRKPLTLHIFGEKSVLDSERITKSR,OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_a552d0eac025e054561f5816,test
catpreddb_km_km_a4b3aed3118db7,catpred_iteration1_km,km,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O,CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O,CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O>>,public_strict_iteration1_fulltrue_msa,,-1.6819366650372385,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_km_km_a4bd3287446a27,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CC/C=C/C=O,CC/C=C/C=O,CC/C=C/C=O>>,public_strict_iteration1_fulltrue_msa,,0.9344984512435676,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_a4d59745d4941e,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.3467874862246563,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_a4e5bcbff4cda5,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_a4efe302c4353c,catpred_iteration1_km,km,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,NC(CO)C(=O)O,NC(CO)C(=O)O,NC(CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3179886698452934,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_km_km_a50bbb4862d2be,catpred_iteration1_km,km,Q8GW43,Q8GW43,MADHSWDKTVEEAVNVLESRQILRSLRPICMSRQNEEEIVKSRANGGDGYEVFDGLCQWDRTSVEVSVSIPTFQKWLHDEPSNGEEIFSGDALAECRKGRFKKLLLFSGNDYLGLSSHPTISNAAANAVKEYGMGPKGSALICGYTTYHRLLESSLAQLKKKEDCLVCPTGFAANMAAMVAIGSVASLLAASGKPLKNEKVAIFSDALNHASIIDGVRLAERQGNVEVFVYRHCDMYHLNSLLSNCKMKRKVVVTDSLFSMDGDFAPMEELSQLRKKYGFLLVIDDAHGTFVCGENGGGVAEEFNCEADVDLCVGTLSKAAGCHGGFIACSKKWKQLIQSRGRSFIFSTAIPVPMAAAAYAAVVVARKEIWRRKAIWERVKEFKELSGVDISSPIISLVVGNQEKALKASRYLLKSGFHVMAIRPPTVPPNSCRLRVTLSAAHTTEDVKKLITALSSCLDFDNTATHIPSFLFPKL,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_d50b2275aed2d155d2bcd75f,test
catpreddb_km_km_a515799d20a545,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.7433440662235191,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_a52d5a56f61a66,catpred_iteration1_km,km,O00763,O00763,MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQRNGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGTGTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSVAGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKLPELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGKRISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQVQSEIPGSPIFLMKLAQHARHLTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIRENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST,O=C([O-])O,O=C([O-])O,O=C([O-])O>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_2f44ab60f356ab1568187475,test
catpreddb_km_km_a55f51a6886fe4,catpred_iteration1_km,km,Q8L0X1,Q8L0X1,MPQYKAPLRDMQFVLHELLMLEHITRNSCISRHCKRELVDQYLEAAADFCENELSPLNQVGDREGCTWNDGVVTTPTGFKEAYQKYIELGFPSLSADEEFGGQALPNSLGISISEMVGTANWSWGMYPGLSHGAVRTLEHHGSDEQKNTYLPNLVSGVWTGTMCLTESHAGSDLGIIRSKAEPNADGSYAISGEKIFISAGEHDMAENIIHIVLARLPGAPKGTKGISLFIVPNSTSMLMVQLASVMQYVVVQFEHKMGIHGNATCVINFDQAKGYLIGPENRGLNCMFTFMNTARIGTAVQGLSASESSFQGALAYAKDRLAMRSLSGPKAPEKEADPIIVHPAVRNMLLTQKSFAEGGRALVYLLAQYADIVEKGETEEERKFADNILSLLTPIAKAFLTETGSESAKHGVQVFGGHGFISEHGMEQIVRDTRIACLYEGTTEIQALDLLGRKVLQTQGAMLKDFTKIIHKFVEANKDNAAMQEFIAPLAAANKEWGDITMQIGMRAMQNPDEVGAAAVDYLYFSGYVTLAYLWARMALVAQEKLAEGSTEVDFYNAKVTTARFYFKKILPRVRSHVDVLSTGVAPLFELDAEHFAF,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1674910872937636,,s_fdb4488fa039d4503ba6daac,test
catpreddb_km_km_a56b05c00773b4,catpred_iteration1_km,km,Q54QG0,Q54QG0,MNDSPIISVVLPFLIKDNDDKSLNYQGINNLIISIDSIIEQTFKEWELILVDDGSNNEILEQLLSKRYSTDNRIKFIINKENKGIVKSLNDAILNHCSPTSKYIARMDSDDISHPTRLQSQLKYLQSNETIDILGCPIKMFNNNKLIEILNNNNNNNNINNNVKELINIINNEESFKFIQHPDKDILMWSMFFNCCIVHPSVIFKRSIFTIEHCYEENNQFPFIEDYLFWLKSLIMKGLNISNIQSSTPLLYLRKHNNSISFKNIEKQKDSTANASCYYLNILFKRFNIDSEIIQNSSLSMKEIIQFFQLSPSSLSKINNISIELFEFAFKYLELIEKSCTKQQPNYSNSIKDAANEKMGELVSLCLSNYPNNQKSSLLWEKWLSRNPTSQLLSLLSNLNVKSSTTIINNNINNNNNNNNNNNNNNNNNNNNNNNNNNNNNSILNFISGINSNKINTPKSNNNKFKENGIRIICFSKDRAFQLKEYLRTFFKYLKNDDNGNDKFEIIVDVLFTYSNEKFKNSYQLVIESFPQVNFIKEENFTDQLINLVQKTNKLEYVMFSVDDILYYNEFNLKEYCLSLNSEPLALGFYMKLNKNITYCHTCNQDITIPLNSNTISRTENNFKYLKWNRNDNDCKKDWNYPWDLCSTIYRCNDIDSIINGIVKYYGIRNGINHPNRFEFNGNRPIIQKQIYQNKPYCLCLSDHYSPMSVVTINRVQDVYDNPIYDQTLSLDDLDQLLYSNKSLNDEKYKENSLSLNFKSVHIGELFIS,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.896196279044043,,s_d78cd9306f4c0ebd61f6cc1c,test
catpreddb_km_km_a56b095756b285,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,O=C(O)C(Cl)Cl,O=C(O)C(Cl)Cl,O=C(O)C(Cl)Cl>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_a58ad23222c435,catpred_iteration1_km,km,Q9UVQ2,Q9UVQ2,MSRFQSLFFFVLVSLTAVANAAIGPVADLTLTNAQVSPDGFAREAVVVNGITPAPLITGNKGDRFQLNVIDQLTNHTMLKTSSIHWHGFFQQGTNWADGPAFVNQCPIASGHSFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPFVVYDPNDPHASLYDIDNDDTVITLADWYHVAAKLGPRFPFGSDSTLINGLGRTTGIAPSDLAVIKVTQGKRYRFRLVSLSCDPNHTFSIDNHTMTIIEADSINTQPLEVDSIQIFAAQRYSFVLDASQPVDNYWIRANPAFGNTGFAGGINSAILRYDGAPEIEPTSVQTTPTKPLNEVDLHPLSPMPVPGSPEPGGVDKPLNLVFNFNGTNFFINDHTFVPPSVPVLLQILSGAQAAQDLVPEGSVFVLPSNSSIEISFPATANAPGFPHPFHLHGHAFAVVRSAGSSVYNYDNPIFRDVVSTGQPGDNVTIRFETNNPGPWFLHCHIDFHLDAGFAVVMAEDTPDTKAANPVPQAWSDLCPIYDALDPSDL,COc1cccc(OC)c1O,COc1cccc(OC)c1O,COc1cccc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.0290456128172003,,s_d45fcdab7810d2b63f6ed638,test
catpreddb_km_km_a597a95797e029,catpred_iteration1_km,km,Q8CFX1,Q8CFX1,MLLAAMCLALLGCLQAQELKGHVSIILLGATGDLAKKYLWQGLFQLYLDEAGKGHSFSFHGAALTAPQQGQKLMDKVLESLSCPKDLVPSRCDELKGQFLQLSQYRQLKTVEDYQTLNKDIETQVQQDGLWEAGRIFYFSVPPFAYADIARNINSSCRPHPGAWLRVVFEKPFGHDHLSAQQLASELGSFFQEEEMYRVDHYLGKQAVAQILPFRDQNRKALDGLWNRHHVERVEIILKETIDAEGRASFYEEYGVIRDTLQNHLTEILTLVAMELPLNISSSAAVLQHKLWAFQALRGLQKSSAILGQYQAYSGQVRRELQKPDGFQSLTPTFAGVLVHIDNLRWEGVPFILMSGKALDERVGYVRIVFKNRAYCTQSERHWVPEQSRCLPQQIIFYIGHGELGHPAILVSRNLFKPSLPTQKWKEVQDQPGLRLFGRPLSDYYAYRPVREQDAYSTLLSHIFHCRKESFITTENLLASWVFWTPLLDSLAFEVPRPYPGGAENGQLLDFEFSGGQLTFSQQQLEVLIPDLGSVPKPSDFQVLGARYRQSPLITAWPEELISKLASDIEAAAVQAVRHFGKFHLALSGGSSPIALFQQLATGHYSFPWAHTHLWLVDERCVPLSDPDSNFQGLQAHLLQHVRVPYYNIHPMPVHLHQRLCAEEDQGAQTYASEISALVANSSFDLVLLGMGTDGHTASLFPQSPTGLDGDQLVVLTESPFRPHQRMSLSLPLINRAKKVAVLVMGRTKREITTLVSRVGHEPKKWPISGVVPLSGQLVWYMDYEAFLG,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1196361838883488,,s_c9e6061fcb35fa36b2f38e0f,test
catpreddb_km_km_a5afb5ccb7c1e6,catpred_iteration1_km,km,P30349,P30349,MPEVADTCSLASPASVCRTQHLHLRCSVDFARRALTGTAALTVQSQEDNLRSLTLDTKDLTIEKVVINGQEVKYTLGESQGYKGSPMEISLPIALSKNQEVVIEISFETSPKSSALQWLTPEQTSGKQHPYLFSQCQAIHCRAILPCQDTPSVKLTYTAEVSVPKELVALMSAIRDGEAPDPEDPSRKIYRFNQRVPIPCYLIALVVGALESRQIGPRTLVWSEKEQVEKSAYEFSETESMLKIAEDLGGPYVWGQYDLLVLPPSFPYGGMENPCLTFVTPTLLAGDKSLSNVIAHEISHSWTGNLVTNKTWDHFWLNEGHTVYLERHICGRLFGEKFRHFHALGGWGELQNTIKTFGESHPFTKLVVDLKDVDPDVAYSSIPYEKGFALLFYLEQLLGGPEVFLGFLKAYVEKFSYQSVTTDDWKSFLYAHFKDKVDLLNQVDWNAWLYAPGLPPVKPNYDVTLTNACIALSQRWVTAKEEDLNSFSIEDLKDLSSHQLNEFLAQVLQKAPLPLGHIKRMQEVYNFNAINNSEIRFRWLRLCIQSKWEEAIPLALKMATEQGRMKFTRPLFKDLAAFDKSHDQAVRTYQEHKACMHPVTAMLVGKDLKVD,CC(C)C[C@H](N)C(O)=NCC(O)=NCC(=O)O,CC(C)C[C@H](N)C(O)=NCC(O)=NCC(=O)O,CC(C)C[C@H](N)C(O)=NCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3368320695356243,,s_41290fa430588facd002147b,test
catpreddb_km_km_a5baefc671ab08,catpred_iteration1_km,km,S5TMG0,S5TMG0,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPCQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKVADP,O=C/C=C/c1ccc(O)cc1,O=C/C=C/c1ccc(O)cc1,O=C/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.7647241233129476,,s_08cbf502c176a7783bac2948,test
catpreddb_km_km_a5ec689c39b12e,catpred_iteration1_km,km,D4GWT7,D4GWT7,MSLVVLKLGGSVVTDKDEPETVDEAGLAAAADAVAPLAESRRVVVVHGGGSFGHHHAAEHGVSSESGSHDARGVRAIHDAMKRLNDAVLDALEERGVAALPVHPLSAGAREADGSLSLPLAATETMLDEGFVPVLHGDVISHAGKGATIVSGDDLVVSLASGLGADRVGLCSTVPGVLDADGDVIPEITAFADAADALGGSDSTDVTGGMAAKVRKLLALGAPAHVFGPEGLSAFVAGESPGTVIRGE,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_7684f52edea29f95a52d623f,test
catpreddb_km_km_a61115b7fbaa4d,catpred_iteration1_km,km,Q8GSM7,Q8GSM7,MKIEVKESTMVKPAAETPQQRLWNSNVDLVVPNFHTPSVYFYRPTGSPNFFDGKVLKEALSKALVPFYPMAGRLCRDEDGRIEIDCKGQGVLFVEAESDGVVDDFGDFAPTLELRQLIPAVDYSQGIQSYALLVLQITHFKCGGVSLGVGMQHHAADGASGLHFINTWSDMARGLDLTIPPFIDRTLLRARDPPQPQFPHVEYQPPPTLKVTPENTPISEAVPETSVSIFKLTRDQINTLKAKSKEDGNTVNYSSYEMLAGHVWRSTCMARGLAHDQETKLYIATDGRSRLRPSLPPGYFGNVIFTTTPIAVAGDIQSKPIWYAASKLHDALARMDNDYLRSALDYLELQPDLKALVRGAHTFKCPNLGITSWSRLPIHDADFGWGRPIFMGPGGIAYEGLSFILPSPTNDGSQSVAISLQAEHMKLFEKFLYDF,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7188535677717627,,s_2cb06516483c3b9810d20efc,test
catpreddb_km_km_a61bebe11c47d4,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.919078092376074,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_a6600953dd916a,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_a6693738348808,catpred_iteration1_km,km,Q8VCS0,Q8VCS0,MKAWGALWIVLGLLLWPEPGAASSLPLLMDSIIQALAELEQKVPVTEASITASAWILSAKNSSTHNSLHQRLLLKAPSHNTTEPDPHSLSPELQALISEVAQHDVQNGREYGVVLAPDGSTVAVKPLLFGLEAGLQAHSVANLPSDCLAIPCDTGDTLANIRATWPGLMDAFPNASSPDVGATLPNDKAKTPTTVDRLLAITLAGDLGLTFLHRSQTWSPPGLGTEGCWDQLTAPRVFTLLDPQASRLTMAFLNGALDGALLGNHLSQIPRPHPPLSHLLREYYGAGVNGDPVFRSNFRRQNGAALTSAPTLAQQVWEALVLLQKLEPEHLQLQNISQEQLAQVATLATKEFTEAFLGCPAIHPRCRWGAAPYRGHPTPLRLPLGFLYVHHTYVPAPPCTTFQSCAADMRSMQRFHQDVRKWDDIGYSFVVGSDGYLYQGRGWHWVGAHTRGYNSRGFGVAFVGNYTGSLPNEAALNTVRDALPSCAIRAGLLRPDYKLLGHRQLVLTHCPGNALFNLLRTWPHFTEVEN,CC(O)=N[C@@H]1[C@@H](O[C@H](C)C(O)=N[C@@H](C)C(=O)N=C(O)CC[C@@H](N=C(O)[C@@H](N)CCC[C@@H](N[C@H](C)C(O)=N[C@H](C)C(=O)O)C(=O)O)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@H](C)C(O)=N[C@@H](C)C(=O)N=C(O)CC[C@@H](N=C(O)[C@@H](N)CCC[C@@H](N[C@H](C)C(O)=N[C@H](C)C(=O)O)C(=O)O)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@H](C)C(O)=N[C@@H](C)C(=O)N=C(O)CC[C@@H](N=C(O)[C@@H](N)CCC[C@@H](N[C@H](C)C(O)=N[C@H](C)C(=O)O)C(=O)O)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9030899869919436,,s_2576ac57de8cf51fbca71319,test
catpreddb_km_km_a6704da76e21ff,catpred_iteration1_km,km,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4814860601221125,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_km_km_a68648fb707bf4,catpred_iteration1_km,km,P9WQ75,P9WQ75,MTSGSLQFTVLRAVNPATDAQRESMLREPGFGKYHTDHMVSIDYAEGRGWHNARVIPYGPIELDPSAIVLHYAQEVFEGLKAYRWADGSIVSFRADANAARLRSSARRLAIPELPDAVFIESLRQLIAVDKAWVPGAGGEEALYLRPFIFATEPGLGVRPATQYRYLLIASPAGAYFKGGIAPVSVWVSTEYVRACPGGTGAAKFGGNYAASLLAQAEAAENGCDQVVWLDAVERRYIEEMGGMNIFFVLGSGGSARLVTPELSGSLLPGITRDSLLQLAIDAGFAVEERRIDIDEWQKKAAAGEITEVFACGTAAVITPVARVRHGASEFRIADGQPGEVTMALRDTLTGIQRGTFADTHGWMARLG,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_9bc1fb49bb703ad3f42a9a38,test
catpreddb_km_km_a6a9191ae9cbdd,catpred_iteration1_km,km,Q79FV4,Q79FV4,MRSRQTRDRYRLLPEGYQVTPGRNRHPGTMVGNTPVLWIPELSGTSDPDRGFWAKLEGFNPGGMKDRPALYMVECARARGDIAPGAAIVESTGGTLGLGLALAGKVYRHPVTLVTDPGLEPIIARMLTAYGAGVDMVTQPHPVGGWQQARKDRVAQLMAEYPGAWNPNQYGNPDNVGAYRSLALELVAQLGRIDVLVCSVGTGGHSAGVARVLREFNPDMRLIGVDTIGSTIFGQPASNRLMRGLGSSIYPRNVDYRAFDEVHWVAPPEAVWACRSLAATHYASGGWSVGAVALVAGWAARNLPADTTIAAVFPDGPQRYFDTIYNDAYCNEHELLGGQPPTEPDEIASPLDAVVTRWTRSTTVIDPTQVVS,N[C@@H](COP(=O)(O)O)C(=O)O,N[C@@H](COP(=O)(O)O)C(=O)O,N[C@@H](COP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4169182031260828,,s_6290ac0913cc53eba61e3fff,test
catpreddb_km_km_a6ad05fc971b65,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@H]4CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@H]4CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](n5cnc6c(O)nc(=N)[nH]c65)O[C@H]4CO)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.3516674048692343,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_a6ad15543bcaf7,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N=C(O)C[C@@H](N)C(=O)O,N=C(O)C[C@@H](N)C(=O)O,N=C(O)C[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.7781512503836436,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_a6c1a7cd5892ba,catpred_iteration1_km,km,B8R7Q2,B8R7Q2,MAQSGGVVIVSNRAPVTFSRSESGERTYARGAGGLVTALNAVSRRAEGALWIASAASEEDVRVAREPGVCEIEDLRIVLVEHDPSAYDLMYNHLANPLLWFVQHGLYDLPYAPELGGETLRAWEEGYLPTNRNFARAAAEALSDMEEPVVLLHDYHLYMVPELLREEVGEEPLISFFVHIPWPEPGLWRVLPSYIREGVLRSLLRSDIVAFHTRRYARNFMASAAELLGAEVDPRGGAVRWGGREVWVRSYPISIDPAEFEEAAESPEVLREEEYVRNLPGALLVRVDRADLSKNVVRGFRAYGRMLELHPEMRGRVTFLAQVQPSRGDIPEYAAYAEAIRRSAGEVNEAFGTPSWRPVELSMQDNFPRSVAAYKNYDALLVNAVRDGMNLVAKEAAVVNRKDGVLILSENAGAHEELKDNALSVNPFDLDDQAAAIHRALTMPAAERARRARALREAVLSNTIEDWVAAQMHDMAARRKAFS,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_ab9a392f60f70f9035ad9903,test
catpreddb_km_km_a6d4c880015e82,catpred_iteration1_km,km,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,Cc1ncc(CO)c(C=O)c1O,Cc1ncc(CO)c(C=O)c1O,Cc1ncc(CO)c(C=O)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.0435968036693538,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_km_km_a6e2427276277c,catpred_iteration1_km,km,P05182,P05182,MAVLGITIALLVWVATLLVISIWKQIYNSWNLPPGPFPLPILGNIFQLDLKDIPKSFTKLAKRFGPVFTLHLGSRRIVVLHGYKAVKEVLLNHKNEFSGRGDIPVFQEYKNKGIIFNNGPTWKDVRRFSLSILRDWGMGKQGNEARIQREAQFLVEELKKTKGQPFDPTFLIGCAPCNVIADILFNKRFDYNDKKCLRLMSLFNENFYLLSTPWIQLYNNFADYLRYLPGSHRKIMKNVSEIKQYTLEKAKEHLQSLDINCARDVTDCLLIEMEKEKHSQEPMYTMENVSVTLADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRVPAVRDRLDMPYMDAVVHEIQRFINLVPSNLPHEATRDTVFQGYVIPKGTVVIPTLDSLLYDSHEFPDPEKFKPEHFLNENGKFKYSDYFKAFSAGKRVCVGEGLARMELFLLLSAILQHFNLKSLVDPKDIDLSPVTVGFGSIPPQFKLCVIPRS,CN(C)N=O,CN(C)N=O,CN(C)N=O>>,public_strict_iteration1_fulltrue_msa,,0.7941784381234782,,s_f85304573f7d91136607b0e6,test
catpreddb_km_km_a6e3f9ff769d12,catpred_iteration1_km,km,A0A233RGD2,A0A233RGD2,MIKRIGVLTSGGDAPGMNAAIRAVVRAGLHHGLEVFGIQNGYAGLHQDQIVPLDRHSVSDVITRGGTFLGSARFPEFKEEAVRVEAVQNLKKHGIDGLVVIGGDGSYMGAMRLTEMGFPCIGIPGTIDNDIAGTDYTIGFDTALNVAVEAIDRLRDTCSSHNRISVVEIMGRHCGDLTSSAAVAGGAEYVIVPEVAFDQHELIQQIHEGVAKGKKHAIVAICENVCDVNQLAKDIQAATGRDTRATILGHIQRGGTPTAADRIMASRMGAHAVELLLEGLGGRCMGLQNNHIVHHDIIDCIKHLRRPFNEEMYQLSNTLF,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_3acff131fb92230bca425b36,test
catpreddb_km_km_a6e86ea15890e8,catpred_iteration1_km,km,Q9VG94,Q9VG94,MDLYNMSGSPSTRAVMMTAKAVGVEFNSIQVNTFVGEQLEPWFVKINPQHTIPTLVDNLFVIWETRAIVVYLVEQYGKDDSLYPKDPQKQALINQRLYFDMGTLYDGIAKYFFPLLRTGKPGTQENLEKLNAAFDLLNNFLDGQDYVAGNQLSVADIVILATVSTTEMVDFDLKKFPNVDRWYKNAQKVTPGWDENLARIQSAKKFLAENLIEKL,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,0.5786392099680724,,s_f8efbcf9ce7b494b2417020b,test
catpreddb_km_km_a6f3e7e50e164f,catpred_iteration1_km,km,Q9I3T5,Q9I3T5,MLSVYSDDHRLHFGQSELVDGKLQPCFEMPSRADTVLARVKSQNLGEVIAPKDFGREPLLRLHDAAYLDFLQGAWARWTAEGHSGDLVSTTFPGRRLRRDGPIPTALMGELGYYSFDTEAPITAGTWQAIYSSAQVALTAQEHMRQGARSAFALCRPPGHHAGGDFMGGYCFLNNAAIATQAFLDQGARRVAILDVDYHHGNGTQDIFYRRDDVLFASIHGDPRVEYPYFLGYADERGEGAGEGCNHNYPLAHGSGWDLWSAALDDACVRIAGYAPDALVISLGVDTYKEDPISQFRLDSPDYLRMGERIARLGLPTLFIMEGGYAVEAIGINAVNVLQGYEGAAR,CC(O)=NCCCCCN,CC(O)=NCCCCCN,CC(O)=NCCCCCN>>,public_strict_iteration1_fulltrue_msa,,-0.332547047110046,,s_64d8728dca5ed5459d934dee,test
catpreddb_km_km_a6f70b88b02475,catpred_iteration1_km,km,Q6KYX5,Q6KYX5,MVRYIPMGNGKILVSFNNDYNLTDFYFSKDMAENHSAGKPFRYGVSINDKFTWINASNIVSKDYYDHTMIGIVKYNINDVSFEDDNFVDIYEDVYARKIKITNKRKEKINVKLFFHQNFSIYGNNIGDTGFYYPDTNAIVHYKGRRYFIISTTDGKNSFDQYAIGIKDFNGMAGTWKDAEDNNLSMGPIAIGSVDSTIRHSIDIDPESQKELYYYIACARDLDTVLRINRNMSTGNLDRMMKRTENFWELWVSKSPLNLTAELNEMYKKSLFIIRSHINEKGAVMASSDSDILRSNMDSYYYSWPRDAGYAAISMIVSEHSDPAKLFFDFCINTISKDGYFYHKYNPDGKIASSWLPYIMDGKRILPIQEDESAIVIIAAWYYYSTNNDIEYISYLYERLIKRVAEFLYNFTYDNGLPKESFDLWEERFGIHTYTVASVYIALIYAANFAEIFNETDLARKYKSKADKMLESFEKMFYSDDLGYYARRIYNGDVDFVLDSSVLWLVIFGIKKPDDPRIVSTVKAIEKKLWVPGIGGIARYEGDYYQRISGKNIPGNPWIITTLWLADYYIMAGNTGRALELINWVVQHSEESGILSEQINPDNGEPISVSPLIWSHSQLVLTLKRYKDAIKNKGIQ,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_312250e5a9c36387b6496788,test
catpreddb_km_km_a7372ddb654207,catpred_iteration1_km,km,P82450,P82450,MVSPRPVGLMLLLIIARVSRGAGIGFRFASYIDNYMVLQKEPSGAVIWGFGTAGATVTVTLCQGQETIMKKVTSVKGPSNTWMVVLDPMKPGGPFEVMAQQTLETTNLTLRVHDVLFGDVWLCSGQSNMQMTVLQIFNASKELSDTAAYQSVRIFSVSLTQAEEELADLDGVDLSWSKPTAGNLGHGNFTYMSAVCWLFGRYLYDTLQYPIGLVSSSWGGTPIEVWSSRRALKACGVPNTRDERVLQPEIKPMRNGCESKESSCPFRRFVPCDPVAGPATHSVLWNAMIHPLQNMTLKGVVWYQGENNANYNRDLYACMFPALIAGWRQTFHSGCQGQTERFFPFGFVQLSSYLLMNSSDYGFPEIRWHQTADFGSVPNPKMPNTFMAVAMDLCDRDSPFGSIHPRDKQTVAYRLHLGARAVAYGEKNLTFQGPLPKKIELLARNELLNLTYDQEIQVQRKDNKTFEISCCSDHQCKWLPAPVNTFSTQTLILDLSACLGTVDAVRYAWTTWPCEYKQCAVYHTSSVLPAPPFTARITHRGI,CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC(=O)SC[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.3424226808222062,,s_7ebacc96063747ffb7e0b7cf,test
catpreddb_km_km_a77faee945986f,catpred_iteration1_km,km,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2765443279648142,,s_a6bfd646457ffec3f91681c4,test
catpreddb_km_km_a782372f9ca4e7,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3515432603816349,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_a7873dff0e7bce,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCCN)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCCN)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(O)=N[C@@H](CCCCN)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1>>,public_strict_iteration1_fulltrue_msa,,0.1461280356782379,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_a787a4908e566a,catpred_iteration1_km,km,Q9H9P8,Q9H9P8,MVPALRYLVGACGRARGLFAGGSPGACGFASGRPRPLCGGSRSASTSSFDIVIVGGGIVGLASARALILRHPSLSIGVLEKEKDLAVHQTGHNSGVIHSGIYYKPESLKAKLCVQGAALLYEYCQQKGISYKQCGKLIVAVEQEEIPRLQALYEKGLQNGVPGLRLIQQEDIKKKEPYCRGLMAIDCPHTGIVDYRQVALSFAQDFQEAGGSVLTNFEVKGIEMAKESPSRSIDGMQYPIVIKNTKGEEIRCQYVVTCAGLYSDRISELSGCTPDPRIVPFRGDYLLLKPEKCYLVKGNIYPVPDSRFPFLGVHFTPRMDGSIWLGPNAVLAFKREGYRPFDFSATDVMDIIINSGLIKLASQNFSYGVTEMYKACFLGATVKYLQKFIPEITISDILRGPAGVRAQALDRDGNLVEDFVFDAGVGDIGNRILHVRNAPSPAATSSIAISGMIADEVQQRFEL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_a62fe8db5f74c6c0529ac87f,test
catpreddb_km_km_a7d97e603eaefa,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.4996870826184038,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_a7e2d44568d571,catpred_iteration1_km,km,Q9C524,Q9C524,MALQATTTTFCFSGPTFRSTPHSLTSKRPISIKATTSSPSRLSNSRSNLKGRALSSDGSTQESPYVVCFGEMLIDFVPTTSGLSLADAPAFKKAPGGAPANVAVGIARLGGSSAFIGKVGEDEFGYMLANILKDNNVNNDGMRFDPGARTALAFVTLTNEGEREFMFYRNPSADMLLEESELDFDLIKKAKIFHYGSISLITEPCKSAHISAAKAAKEAGVILSYDPNLRLPLWPSADNAREEILSIWETADIIKISEEEIVFLTKGEDPYDDNVVRKLFHPKLKLLLVTEGPEGCRYYTKDFSGRVHGLKVDVVDTTGAGDAFVAGILSQLANDLSLLQDEERLREALMFANACGALTVKVRGAIPALPTKEAVHEALLKAVV,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3187587626244128,,s_ec7b97bd2bca0dd8be6cab79,test
catpreddb_km_km_a8081ea76483fa,catpred_iteration1_km,km,Q7X9A9,Q7X9A9,MMAAKGSVVVGVLAIVAYALVVSEVAIAAQISSFNRTSFPDGFVFGAASSAYQFEGAAKEGGKGPNIWDTFTHEFPGKISNGSTGDVADDFYHRYKEDVKVLKFIGLDGFRMSISWARVLPRGKLSGGVNKEGIAFYNNVINDLLSKGIQPFITIFHWDLPQALEDEYGGFLSPHIVNDFRDFAELCFKEFGDRVKHWITMNEPWSYSYGGYDAGLLAPGRCSAFMAFCPKGNSGTEPYIVTHNLLLSHAAAVKLYKEKYQAYQKGQIGITLVTYWMIPYSNSKADKDAAQRALDFMYGWFIEPLSFGEYPKSMRRLVGKRLPRFTKEQAMLVKGSFDFLGLNYYIANYVLNVPTSNSVNLSYTTDSLSNQTAFRNGVAIGRPTGVPAFFMYPKGLKDLLVYTKEKYNDPVIYITENGMGDNNNVTTEEGIKDPQRVYFYNQHLLSLKNAIAAGVKVKGYFTWAFLDNFEWLSGYTQRFGIVYVDFKDGLKRYPKHSALWFKKFLLK,O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,O[C@@H]1[C@@H](O)[C@H](OCCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_1b717c1b1b8af20d863e8098,test
catpreddb_km_km_a81d8e995629cf,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.10790539730952,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_a8232565a8da62,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CCC(=O)C(=O)O,CCC(=O)C(=O)O,CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1938200260161128,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_a8310ceb8564c4,catpred_iteration1_km,km,P53204,P53204,MDPTKAPDFKPPQPNEELQPPPDPTHTIPKSGPIVPYVLADYNSSIDAPFNLDIYKTLSSRKKNANSSNRMDHIPLNTSDFQPLSRDVSSEEESEGQSNGIDATLQDVTMTGNLGVLKSQIADLEEVPHTIVRQARTIEDYEFPVHRLTKKLQDPEKLPLIIVACGSFSPITYLHLRMFEMALDDINEQTRFEVVGGYFSPVSDNYQKRGLAPAYHRVRMCELACERTSSWLMVDAWESLQSSYTRTAKVLDHFNHEINIKRGGIMTVDGEKMGVKIMLLAGGDLIESMGEPHVWADSDLHHILGNYGCLIVERTGSDVRSFLLSHDIMYEHRRNILIIKQLIYNDISSTKVRLFIRRGMSVQYLLPNSVIRYIQEYNLYINQSEPVKQVLDSKE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_7a4d4f1a05eeb9ea0a9d1ef8,test
catpreddb_km_km_a837bf03e2e8e3,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12>>,public_strict_iteration1_fulltrue_msa,,-3.0567230698419383,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_a838a3b9e1f99e,catpred_iteration1_km,km,P00376,P00376,MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN,Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N=C(CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-2.714442690992226,,s_5782e3570fd8e47d095ef392,test
catpreddb_km_km_a84e40a2d79ccf,catpred_iteration1_km,km,X5D911,X5D911,MRSLLFITLLLAFVASALAFDSDFLNEPVHDRVLIDKINNSPKVAWKATSYSQFEKMTLGEFRKRLGTVLIQKGTADMLPKKTIAPLVGAPAAFDSRTKWPNCVHPIRNQEQCGSCWAFSASEVLSDRFCIASTGKDNVVLSPQYMVSCDTSDYGCDGGYLNNAWNFLATTGIPTDSCVPYTSQNGDVAACPSTCQNGGSIKLYRAKNPQQLNDIPSIMADMEANGPVQAAFSVYRDFMSYKSGVYHHVSGSLLGGHAIKIVGWGVDSVSNKPYWIVANSWGPSWGLNGFFWILRGSDECGIEDNVWGAGVLL,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc3ccccc3)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc3ccccc3)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc3ccccc3)N=C(O)OCc3ccccc3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.4461169733561257,,s_3f9c08249d9bac9bb0a07ff1,test
catpreddb_km_km_a864c91e99d0a0,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.537860356969059,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_a874d053b89b95,catpred_iteration1_km,km,P38993,P38993,MTNALLSIAVLLFSMLSLAQAETHTFNWTTGWDYRNVDGLKSRPVITCNGQFPWPDITVNKGDRVQIYLTNGMNNTNTSMHFHGLFQNGTASMDGVPFLTQCPIAPGSTMLYNFTVDYNVGTYWYHSHTDGQYEDGMKGLFIIKDDSFPYDYDEELSLSLSEWYHDLVTDLTKSFMSVYNPTGAEPIPQNLIVNNTMNLTWEVQPDTTYLLRIVNVGGFVSQYFWIEDHEMTVVEIDGITTEKNVTDMLYITVAQRYTVLVHTKNDTDKNFAIMQKFDDTMLDVIPSDLQLNATSYMVYNKTAALPTQNYVDSIDNFLDDFYLQPYEKEAIYGEPDHVITVDVVMDNLKNGVNYAFFNNITYTAPKVPTLMTVLSSGDQANNSEIYGSNTHTFILEKDEIVEIVLNNQDTGTHPFHLHGHAFQTIQRDRTYDDALGEVPHSFDPDNHPAFPEYPMRRDTLYVRPQSNFVIRFKADNPGVWFFHCHIEWHLLQGLGLVLVEDPFGIQDAHSQQLSENHLEVCQSCSVATEGNAAANTLDLTDLTGENVQHAFIPTGFTKKGIIAMTFSCFAGILGIITIAIYGMMDMEDATEKVIRDLHVDPEVLLNEVDENEERQVNEDRHSTEKHQFLTKAKRFF,Nc1ccc(N)cc1,Nc1ccc(N)cc1,Nc1ccc(N)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_47d6ad19027377fc8c915789,test
catpreddb_km_km_a87fbe406a89fd,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_a88d7ce4b1a9c4,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_a89f234cfe68d6,catpred_iteration1_km,km,Q8GW43,Q8GW43,MADHSWDKTVEEAVNVLESRQILRSLRPICMSRQNEEEIVKSRANGGDGYEVFDGLCQWDRTSVEVSVSIPTFQKWLHDEPSNGEEIFSGDALAECRKGRFKKLLLFSGNDYLGLSSHPTISNAAANAVKEYGMGPKGSALICGYTTYHRLLESSLAQLKKKEDCLVCPTGFAANMAAMVAIGSVASLLAASGKPLKNEKVAIFSDALNHASIIDGVRLAERQGNVEVFVYRHCDMYHLNSLLSNCKMKRKVVVTDSLFSMDGDFAPMEELSQLRKKYGFLLVIDDAHGTFVCGENGGGVAEEFNCEADVDLCVGTLSKAAGCHGGFIACSKKWKQLIQSRGRSFIFSTAIPVPMAAAAYAAVVVARKEIWRRKAIWERVKEFKELSGVDISSPIISLVVGNQEKALKASRYLLKSGFHVMAIRPPTVPPNSCRLRVTLSAAHTTEDVKKLITALSSCLDFDNTATHIPSFLFPKL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.7958800173440754,,s_d50b2275aed2d155d2bcd75f,test
catpreddb_km_km_a8af8394bb87d1,catpred_iteration1_km,km,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_20763196f05a193ee16b396c,test
catpreddb_km_km_a8b6017f02090b,catpred_iteration1_km,km,P11178,P11178,MQGSAKMAMAVAVAVARVWRPSRGLGRTGLPLLRLLGARGLARFHPHRWQQQQHFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYKSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALDDTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDLGKGRQMPVHYGCRERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGILSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHHLQSRGWWDDEQEKAWRKQSRKKVMEAFEQAERKLKPNPSLIFSDVYQEMPAQLRKQQESLARHLQTYGEHYPLDHFEK,CCC(=O)C(=O)O,CCC(=O)C(=O)O,CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2518119729937995,,s_6ab38fd0f667596d6f2abce4,test
catpreddb_km_km_a8b70ab76bfb31,catpred_iteration1_km,km,W0NUN5,W0NUN5,MSDSDLEFDVIVAGSGGGLAGAYTAARENLSVLLVEATDLFGGTTSFSGGGGMWFPCNPVLQRAGTDDTIDKALTYFHAVVGERTPRELQDAYVRGGAKLIEYLEQDPAFEFTALPWPDYYGTAPEARTDGYRHTIPLPVPDAALGKYAGLVRGPLDTERLGAEAPDLLVGGRALVGRFLAALDKLPTVTCWLNAPLVDLITENGRVVGAVIERDGAPVRVTTRRGVLLASGGFEQNAEMRAEYGVPGHATDSMGGPGSTGRAHRAAIAVGADVDLMDQAWWSPGMTHPDGRSAFALWFTGGIFVNQQGRRFVNESAPYDRIGRDIIDQMQNGSTRLPFWMIYDNRDGDIPPVKATNVSMVEPEKYRTAGLWHSADTLAELAGAIGVPAAELEATVARYNELAATGIDDDFGRGGEAYDRAFSGGESPMVPLDTPPYHAAVFGLSDLGTKGGLRTDTHARVLDADGAAIPGLYAAGNTMAAVSGTTYPGGGNPIGASMLFSHLAALDMATQSSAE,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.9030899869919436,,s_6bc252860d9260b321c64968,test
catpreddb_km_km_a8c6aa590da1a6,catpred_iteration1_km,km,Q643R3,Q643R3,MSQGSPGDWAPLDPTPGPPASPNPFVHELHLSRLQRVKFCLLGALLAPIRVLLAFIVLFLLWPFAWLQVAGLSEEQLQEPITGWRKTVCHNGVLGLSRLLFFLLGFLRIRVRGQRASRLQAPVLVAAPHSTFFDPIVLLPCDLPKVVSRAENLSVPVIGALLRFNQAILVSRHDPASRRRVVEEVRRRATSGGKWPQVLFFPEGTCSNKKALLKFKPGAFIAGVPVQPVLIRYPNSLDTTSWAWRGPGVLKVLWLTASQPCSIVDVEFLPVYHPSPEESRDPTLYANNVQRVMAQALGIPATECEFVGSLPVIVVGRLKVALEPQLWELGKVLRKAGLSAGYVDAGAEPGRSRMISQEEFARQLQLSDPQTVAGAFGYFQQDTKGLVDFRDVALALAALDGGRSLEELTRLAFELFAEEQAEGPNRLLYKDGFSTILHLLLGSPHPAATALHAELCQAGSSQGLSLCQFQNFSLHDPLYGKLFSTYLRPPHTSRGTSQTPNASSPGNPTALANGTVQAPKQKGD,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_2fe1fdc4f11d57a64126c288,test
catpreddb_km_km_a8df3edd28178a,catpred_iteration1_km,km,Q6IP81,Q6IP81,MADPSSFASPEKFNIKHMHLKLHVDFTSRAIAASTSLTVRSLQDSLASLILDTKDLTIKKVAVNGKDATFALGTTHSFKGTPLEITLPFSLTRGQEVIVEIDSVTSPKSSALQWLNKEQTAGKIHPYLFSQCQATHCRSIIPCQDTPSVKFTYYSQVSVPKELMALMSALRDGELSEQSDSNRKIYRFKQNVPIPSYLIALVVGALEGRKVGPRTTIWTEKELLEPSVYEFAETEKMLKYAEDLAGPYVWGQYDLLILPPSFPYGGMENPCLTFVTPTVLAGDRSLASVIAHEISHSWTGNLVTNETWENFWLNEGHTVYLERRIDGRLYGEEFRQFKALGGWKELQNSVNTFGATNPLTNLVPNLHEVDVDAAFSSVPYEKGFALLFYLEQLLGGPEIFLGFLKSYIQMFAFKSVTTEEWKKFLYSYFKDKVDILDKVDWKGWMHTPGMPPVQPKYDMTLANACITLGQKWVKATESDLGSFSADDVKDLSSHQLIEVLAILLLEKPLPVSHVKRMQEVYNLNDVKNSEIRFRWLRLCIRAGWEDVIPLALAMATEQGRMKFTRPLYRDLYNFEKAREQTVNTFLKNRSFMHPVTEMLVAKDLHISAS,CC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-2.5850266520291822,,s_075ae610bc9a7e816aa16a6b,test
catpreddb_km_km_a8f3ddcf8d2372,catpred_iteration1_km,km,A0A5H2WXM2,A0A5H2WXM2,MGSLSLSSVGLTMVCAPVMGESVDQVVEEMHKAKAQGADVVEVRLDCIKQFQAHQDLEIILKSKPLPVIIVYRPKCEGGLYEGDETARLEALRSALKLGADYVDFELKVAAELMSKQNKLHCGGTKVIVSCFLDGVTPSKEELSNLATHMKATGADIIKIVTSASNITELAGLFHLLSYSQMPVVAYAVGERGLISQLLSPKFGSTLVYGSIEGMAVPGLPTLESLRKTYKVEHINSDTTVFGLISKPVGHSKGPILHNPTLRHMNFNGLYVPMFVDNLKEFFEVYSTPDFAGFSVGFPYKEAVIQFCDEVHPLAQTIGAVNTIVRRPSDGKLIGYNTDCEASVTAMEDALQECRCINGEKSLVSPLAGKEFVLVGAGGAGRALAFGAKTRGARIIIFDIDFERAKMLAHAVSGEARPFGDLPYFQPEKGSILANATPIGMHPNKDRIPVSEASLGVFQLVFDAVYTPRKTTLLKEAEAAGAITVSGVEMFLRQAIGQFNLFTGGEAPKEFMREIVLAKF,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.7851561519523022,,s_96f343a16d414342eb00f6c5,test
catpreddb_km_km_a90bd5516e0f97,catpred_iteration1_km,km,P30837,P30837,MLRFLAPRLLSLQGRTARYSSAAALPSPILNPDIPYNQLFINNEWQDAVSKKTFPTVNPTTGEVIGHVAEGDRADVDRAVKAAREAFRLGSPWRRMDASERGRLLNRLADLVERDRVYLASLETLDNGKPFQESYALDLDEVIKVYRYFAGWADKWHGKTIPMDGQHFCFTRHEPVGVCGQIIPWNFPLVMQGWKLAPALATGNTVVMKVAEQTPLSALYLASLIKEAGFPPGVVNIITGYGPTAGAAIAQHVDVDKVAFTGSTEVGHLIQKAAGDSNLKRVTLELGGKSPSIVLADADMEHAVEQCHEALFFNMGQCCCAGSRTFVEESIYNEFLERTVEKAKQRKVGNPFELDTQQGPQVDKEQFERVLGYIQLGQKEGAKLLCGGERFGERGFFIKPTVFGGVQDDMRIAKEEIFGPVQPLFKFKKIEEVVERANNTRYGLAAAVFTRDLDKAMYFTQALQAGTVWVNTYNIVTCHTPFGGFKESGNGRELGEDGLKAYTEVKTVTIKVPQKNS,CCC=O,CCC=O,CCC=O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_8e082a50734a0a63983cdad9,test
catpreddb_km_km_a9149eb6d09179,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,CC(=O)C(C)=O,CC(=O)C(C)=O,CC(=O)C(C)=O>>,public_strict_iteration1_fulltrue_msa,,1.1139433523068367,,s_451a9f71732397357584e474,test
catpreddb_km_km_a92ab6893836c8,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C,CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC21C>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_a92b4ce3a3de72,catpred_iteration1_km,km,M9Z1G5,M9Z1G5,MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMTMLDGGKERTKQQFEDLAKQAGFTVFKIVARAYYCWVIELYK,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12>>,public_strict_iteration1_fulltrue_msa,,-3.2596373105057563,,s_7d63982e25dfe2080c9a3604,test
catpreddb_km_km_a9358592fea646,catpred_iteration1_km,km,P00518,P00518,MTRDAALPGSHSTHGFYENYEPKEILGRGVSSVVRRCIHKPTCKEYAVKIIDVTGGGSFSAEEVQELREATLKEVDILRKVSGHPNIIQLKDTYETNTFFFLVFDLMKKGELFDYLTEKVTLSEKETRKIMRALLEVICALHKLNIVHRDLKPENILLDDDMNIKLTDFGFSCQLDPGEKLREVCGTPSYLAPEIIECSMNDNHPGYGKEVDMWSTGVIMYTLLAGSPPFWHRKQMLMLRMIMSGNYQFGSPEWDDYSDTVKDLVSRFLVVQPQKRYTAEEALAHPFFQQYVVEEVRHFSPRGKFKVICLTVLASVRIYYQYRRVKPVTREIVIRDPYALRPLRRLIDAYAFRIYGHWVKKGQQQNRAALFENTPKAVLFSLAEDDY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_045ce70793c070560bee3f99,test
catpreddb_km_km_a95ee4fc86f912,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,CC(=O)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,CC(=O)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,CC(=O)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC21C>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_a966e0299a2acd,catpred_iteration1_km,km,O82390,O82390,MNARALLCSSNIHSLYTSNRPPEKTSSSRSLRNLKPSPKSLRVWIYPRNRSSVFRVLVRSSDKSESSNSYYVEGDKVSGNNDVVSDSPSSIVLPWWEEFPKRWVIVLLCFSAFLLCNMDRVNMSIAILPMSAEYGWNPATVGLIQSSFFWGYLLTQIAGGIWADTVGGKRVLGFGVIWWSIATILTPVAAKLGLPYLLVVRAFMGVGEGVAMPAMNNILSKWVPVQERSRSLALVYSGMYLGSVTGLAFSPFLIHQFGWPSVFYSFGSLGTVWLTLWLTKAESSPLEDPTLLPEERKLIADNCASKEPVKSIPWRLILSKPPVWALISCHFCHNWGTFILLTWMPTYYHQVLKFNLMESGLLSVFPWMTMAISANAGGWIADTLVSRGFSVTNVRKIMQTIGFLGPAFFLTQLKHIDSPTMAVLCMACSQGTDAFSQSGLYSNHQDIAPRYSGVLLGLSNTAGVLAGVLGTAATGHILQHGSWDDVFTISVGLYLVGTVIWNLFSTGEKIID,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1040252676409354,,s_df9208657a27ec809774ea85,test
catpreddb_km_km_a999fdfca9d785,catpred_iteration1_km,km,P79371,P79371,MAAQKDLWDAIVIGAGIQGCFTVYHLVKHRKRILLLEQFFLPHSRGSSHGQSRIIRKAYLEDFYTRMMHECYQIWAQLEHEAGTQLHRQTGLLLLGMKENQELKTIQANLSRQRVEHQCLSSEELKQRFPNIRLPRGEVGLLDNSGGVIYAYKALRALQDAIRQLGGIVRDGEKVVEINPGLLVTVKTTSRSYQAKSLVITAGPWTNQLLRPLGIEMPLQTLRINVCYWREMVPGSYGVSQAFPCFLWLGLCPHHIYGLPTGEYPGLMKVSYHHGNHADPEERDCPTARTDIGDVQILSSFVRDHLPDLKPEPAVIESCMYTNTPDEQFILDRHPKYDNIVIGAGFSGHGFKLAPVVGKILYELSMKLTPSYDLAPFRISRFPSLGKAHL,O=C(O)[C@@H]1CCCCN1,O=C(O)[C@@H]1CCCCN1,O=C(O)[C@@H]1CCCCN1>>,public_strict_iteration1_fulltrue_msa,,-0.1307682802690238,,s_6530371444acf5833111201c,test
catpreddb_km_km_a9a505050f026c,catpred_iteration1_km,km,A0A8H4BTZ3,A0A8H4BTZ3,MTAEEFDFSSHSHRRYNPLTDSWILVSPHRAKRPWLGQQEAAYKPTAPLYDPKCYLCPGNKRATGNLNPRYESTYIFPNDYAAVRLDQPILPQNDSNEDNLKNRLLKVQSVRGNCFVICFSPNHNLTIPQMKQSDLVHIVNSWQALTDDLSREARENHKPFKYVQIFENKGTAMGCSNLHPHGQAWCLESIPSEVSQELKSFDKYKREHNTDLFADYVKLESREKSRVVVENESFIVVVPYWAIWPFETLVISKKKLASISQFNQMAKEDLASILKQLTIKYDNLFETSFPYSMGIHQAPLNATGDELSNSWFHMHFYPPLLRSATVRKFLVGFELLGEPQRDLISEQAAEKLRNLDGQIHYLQRL,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_136d1d0adeb3835e391700b3,test
catpreddb_km_km_a9bdc127b55345,catpred_iteration1_km,km,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4377071355435254,,s_85471f35fb7860385479be86,test
catpreddb_km_km_a9c757ff6df16d,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_a9e4d1a77dadc5,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.8836614351536176,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_a9e4eb464aaf23,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,NN=c1[nH]ncc2ccccc12,NN=c1[nH]ncc2ccccc12,NN=c1[nH]ncc2ccccc12>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_a9f7d1282fb29b,catpred_iteration1_km,km,P31013,P31013,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTEAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,CSC[C@H](N)C(=O)O,CSC[C@H](N)C(=O)O,CSC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3654879848908996,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_a9f8d2f3358c72,catpred_iteration1_km,km,Q9D939,Q9D939,MALTPELSRQTKLKEVAGIPLQAPTVDNWRQIQTFEAKPDDLLICTYPKSGTTWIQEIVDMIEQNGDVEKCRRTIIQHRHPFIEWARPPQPSGVDKANEMPAPRILRTHLPTQLLPPSFWTNNCKFLYVARNAKDCMVSYYHFYRMSQVLPEPGTWDEYFETFINGKVSWGSWFDHVKGWWEIRDKYQILFLFYEDMKRNPKHEIQKVMQFMGKNLDEDVVDKIVLETSFEKMKENPMTNRSTAPKSILDQSISPFMRKGTVGDWKNHFTVAQNERFDEIYKQKMGRTSLNFSMEL,O=[N+]([O-])c1ccc(O)cc1,O=[N+]([O-])c1ccc(O)cc1,O=[N+]([O-])c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.4913616938342727,,s_6433176e88b31b4879bf7586,test
catpreddb_km_km_aa0a9f259b9092,catpred_iteration1_km,km,O60704,O60704,MRLSVRRVLLAAGCALVLVLAVQLGQQVLECRAVLAGLRSPRGAMRPEQEELVMVGTNHVEYRYGKAMPLIFVGGVPRSGTTLMRAMLDAHPEVRCGEETRIIPRVLAMRQAWSKSGREKLRLDEAGVTDEVLDAAMQAFILEVIAKHGEPARVLCNKDPFTLKSSVYLSRLFPNSKFLLMVRDGRASVHSMITRKVTIAGFDLSSYRDCLTKWNKAIEVMYAQCMEVGKEKCLPVYYEQLVLHPRRSLKLILDFLGIAWSDAVLHHEDLIGKPGGVSLSKIERSTDQVIKPVNLEALSKWTGHIPGDVVRDMAQIAPMLAQLGYDPYANPPNYGNPDPFVINNTQRVLKGDYKTPANLKGYFQVNQNSTSSHLGSS,CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=O)O)N=C(O)[C@@H](N=C(O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.0791812460476247,,s_a49165424debfdaef30bf5a5,test
catpreddb_km_km_aa0e0cf65a940a,catpred_iteration1_km,km,D7UQ40,D7UQ40,MRLIILNLLSLGITPSVVGHSGPHRQETQNLNNFLESNAINPAAINGETRHTGGVHLACAILEASNQTAVVFPSDGELYTQIDKAHASATAPKNPACIYTPNDVKGVSLGVKVATFVQAKFAIRSGGHSPMEYFANIDGGVLISLAGIKTLEYNADTQTQRSGFGNLWQDVYRHVNAQGRTVVGGRTGSVGLALTLGGGLSHFSNAYGWAAQNVLSYEMVLADGSIVIASEEENSDLYFAVKAGANNFGIVTHIVQRTYPLGKIWGGSMIFPGNASAQFMAALADYQAKGQLDKKSAILPYVGLIADAVVAQFSYLEPVERPEAFEAFYDIPVIQDLTQVWDTFAAMVTAPIPYNMTRFSYATTDLLYDKEAYLEIERICHKYIPRMRKLEGGDIMLMPQPISVSMVGEARARGSDPMGVADQPQLWFVVSSGWNLAQDDAEAESIMLDALAEVEEYTKSRALHLPFYFLNDAFSTQMPLQSYGAVTYGKLQAASRKYDPTRVFQELVPGGFKLV,C/C=C/C=C/CCCC/C=C/c1cc(OC)c(CO)c(=O)o1,C/C=C/C=C/CCCC/C=C/c1cc(OC)c(CO)c(=O)o1,C/C=C/C=C/CCCC/C=C/c1cc(OC)c(CO)c(=O)o1>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_35ba1a3f68903fee96b7ea29,test
catpreddb_km_km_aa3a92a765a6ef,catpred_iteration1_km,km,A0A0K1E2F9,A0A0K1E2F9,MECVDRRLVGDLLALSRVEGLPVAEAAGRLCMTRQGLYKILRSLRERGYVEEGPVVKLSQRGRDILSAALRELLSYFNIASIRVVGVVVSGLGEGAFYISLEGYRRVMEELLGFVPYPGTLNVKLDPQSLPYRRYLESLPGILIPGFTNGMRTYGAVKAFRARIRGVEGAVVMPERTHHPTDVIEVVASVKLRDVLGLRDGDKVEIEIYL,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C>>,public_strict_iteration1_fulltrue_msa,,-1.136677139879544,,s_f50f9c996af02cac87c195b8,test
catpreddb_km_km_aa43a713aa5f63,catpred_iteration1_km,km,Q6WNR0,Q6WNR0,MGILSYLCYSLFYLSIFFIIRLLFQSRKFKNLPPGPTSLPIIGNLHHLKRPLNRTFKALTEKYGNVISLWFGSRLVVVVSSLSEFQECFTKNDVVLANRPRFLSGKYIFYNYTTLGSTSYGEHWRNLRRITSLDVLSNHRINNFAPIRRDETQRLIKKLAEDSSTKFAEVELTFRFFDMTFNNIMRMISGKRYYGDDCDISEVQEASQFRDMVSELLQLSGANNKTDFMPLLKFLDFENLEKRVKRIGEKNDVFLSGLLQEQRSKKERTNTMIDHLLNMQESQPEYYTDTIIKGLCLAMLLAGTDSSAVTLEWTMSNILNYPEVLKKVRDEVDTHVGQDRLVDESDLPKLTYLRNVIYETLRLYTPAPLLLPHSTADECIMGGYKVPRDTIVLINAWAIHRDPETWSEATTFKPERFDKKGELEKMIAFGMGRRACPGEGLALRAISMTLALLVQCFDWKRINDEKIDMSERDGFTMTKLLPLKAMCKTRPVVNKVFK,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.2924298239020635,,s_bacc29394cd254b63d714887,test
catpreddb_km_km_aa5519ffd653a5,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1>>,public_strict_iteration1_fulltrue_msa,,-4.236572006437063,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_aa74086bebc799,catpred_iteration1_km,km,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,CSCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CSCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CSCC[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)c1ccccc1N)C(C)C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(O)=N[C@@H](CCC(=O)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.494850021680094,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_km_km_aa74991f616683,catpred_iteration1_km,km,W0NUN5,W0NUN5,MSDSDLEFDVIVAGSGGGLAGAYTAARENLSVLLVEATDLFGGTTSFSGGGGMWFPCNPVLQRAGTDDTIDKALTYFHAVVGERTPRELQDAYVRGGAKLIEYLEQDPAFEFTALPWPDYYGTAPEARTDGYRHTIPLPVPDAALGKYAGLVRGPLDTERLGAEAPDLLVGGRALVGRFLAALDKLPTVTCWLNAPLVDLITENGRVVGAVIERDGAPVRVTTRRGVLLASGGFEQNAEMRAEYGVPGHATDSMGGPGSTGRAHRAAIAVGADVDLMDQAWWSPGMTHPDGRSAFALWFTGGIFVNQQGRRFVNESAPYDRIGRDIIDQMQNGSTRLPFWMIYDNRDGDIPPVKATNVSMVEPEKYRTAGLWHSADTLAELAGAIGVPAAELEATVARYNELAATGIDDDFGRGGEAYDRAFSGGESPMVPLDTPPYHAAVFGLSDLGTKGGLRTDTHARVLDADGAAIPGLYAAGNTMAAVSGTTYPGGGNPIGASMLFSHLAALDMATQSSAE,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.1870866433571443,,s_6bc252860d9260b321c64968,test
catpreddb_km_km_aa756d16cd5e3b,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3941727997234088,,s_f28c949d1503440bae214094,test
catpreddb_km_km_aa84d0a75e7b37,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CCC(O)CC,CCC(O)CC,CCC(O)CC>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_aa8ff9090fa59f,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6575773191777937,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_aa93dbc0261e06,catpred_iteration1_km,km,O80689,O80689,MKNLTSFVIVILLQSLLFHVYGRHQSSSKNILVDSSPFPSDFLFGTASSAYQYEGAFLTDGKSLNNWDVFTHKNPGKILDKNNADRAVDQYNRFLEDIQLMSFLGVNSYRFSISWCRILPRGRFGEINYLGIKYYNIFIDALISRGIKPFVTLNHVDYPQELEDRFQSWLNPEMQKEFGYLADICFKHFGNRVKYWTTLNEPNQQLILGYLTGKFPPSRCSSPYGNCSQGNSETEPFIAAHNMILAHAKAVNIYKTKYQKEQKGSIGIVVQTSWFEPISDSNADKEAAERAQSFYSNWILDPVIYGKYPKEMVDILGPALPQFSSNEVKNLEKSRADFVGINHYTSYFIQDCLTSACNTGHGAFKAEGYALKLDRKGNVTIGELTDVNWQHIDPTGFHKMLNYLKDRYPNMPMFITENGFGDLQKPETTDKELLNDTKRIQYMSGYLEALQAAMRDGANVKGYFVWSLLDNFEWLFGYKVRFGLFHVDLTTLKRSPKQSASWYKNYIEEHVNRRDIVDNY,COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O,COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O,COc1cc(C=CCO)cc(OC)c1OC1OC(CO)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.7075701760979364,,s_1ff3a34edb5585b4b8692f7e,test
catpreddb_km_km_aaa0566fe0f25a,catpred_iteration1_km,km,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,O=Cc1ccccc1[N+](=O)[O-],O=Cc1ccccc1[N+](=O)[O-],O=Cc1ccccc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.0177287669604316,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_km_km_aaa996b40d60bd,catpred_iteration1_km,km,P83299,P83299,AHAWGYGPTDGPDKWVSNFPIADGPRQSPIDILPGGASYDSGLKPLSLKYDPSNCLEILNNGHSFQVTFADDSDSSTLKEGPISGVYRLKQFHFHWGASNDKGSEHTVAGTKYPAELHLVHWNTKYPSFGEAASKPDGLAVVGVFLKIGDANASLQKVLDAFNDIRAKGKQTSFADFDPSTLLPGCLDYWTYDGSLTTPPLLESVTWIVCKEPISVSCEQMAKFRSLLFSAEGEPECCMVDNYRPPQPLKGRHVRASFQ,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,1.0174507295105362,,s_80babf1d9a72c1adaf961106,test
catpreddb_km_km_aacb0ed451b4a8,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_aad48599208023,catpred_iteration1_km,km,P53004,P53004,MNAEPERKFGVVVVGVGRAGSVRMRDLRNPHPSSAFLNLIGFVSRRELGSIDGVQQISLEDALSSQEVEVAYICSESSSHEDYIRQFLNAGKHVLVEYPMTLSLAAAQELWELAEQKGKVLHEEHVELLMEEFAFLKKEVVGKDLLKGSLLFTAGPLEEERFGFPAFSGISRLTWLVSLFGELSLVSATLEERKEDQYMKMTVCLETEKKSPLSWIEEKGPGLKRNRYLSFHFKSGSLENVPNVGVNKNIFLKDQNIFVQKLLGQFSEKELAAEKKRILHCLGLAEEIQKYCCSRK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,1.1334214743502922,,s_11342393ff618e3c41413bb9,test
catpreddb_km_km_aae24f3eeda224,catpred_iteration1_km,km,Q70GK9,Q70GK9,MAANSTRRPIIAFMSDLGTTDDSVAQCKGLMYSICPDVTVVDVCHSMTPWDVEEGARYIVDLPRFFPEGTVFATTTYPATGTTTRSVAVRIKQAAKGGARGQWAGSGAGFERAEGSYIYIAPNNGLLTTVLEEHGYLEAYEVTSPKVIPEQPEPTFYSREMVAIPSAHLAAGFPLSEVGRPLEDHEIVRFNRPAVEQDGEALVGVVSAIDHPFGNVWTNIHRTDLEKAGIGYGARLRLTLDGVLPFEAPLTPTFADAGEIGNIAIYLNSRGYLSIARNAASLAYPYHLKEGMSARVEAR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CBr)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CBr)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CBr)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.0132282657337552,,s_54d0045dd302676c073cb3d0,test
catpreddb_km_km_aaeea013e9ce2d,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O,NC(Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1630750113285253,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_aaf46a870cde37,catpred_iteration1_km,km,P78985,P78985,MAPPQAPVQPPKRRRIGVLTSGGDAPGMNGVVRAVVRMAIHSDCEAFAVYEGYEGLVNGGDMIRQLHWEDVRGWLSRGGTLIGSARCMTFRERPGRLRAAKNMVLRGIDALVVCGGDGSLTGADVFRSEWPGLLKELVETGELTEEQVKPYQILNIVGLVGSIDNDMSGTDATIGCYSSLTRICDAVDDVFDTAFSHQRGFVIEVMGRHCGWLALMSAISTGADWLFVPEMPPKDGWEDDMCAIITKNRKERGKRRTIVIVAEGAQDRHLNKISSSKIKDILTERLNLDTRVTVLGHTQRGGAACAYDRWLSTLQGVEAVRAVLDMKPEAPSPVITIRENKILRMPLMDAVQHTKTVTKHIQNKEFAEAMALRDSEFKEYHFSYINTSTPDHPKLLLPENKRMRIGIIHVGAPAGGMNQATRAAVAYCLTRGHTPLAIHNGFPGLCRHYDDTPICSVREVAWQESDAWVNEGGSDIGTNRGLPGDDLATTAKSFKKFGFDALFVVGGFEAFTAVSQLRQAREKYPEFKIPMTVLPATISNNVPGTEYSLGSDTCLNTLIDFCDAIRQSASSSRRRVFVIETQGGKSGYIATTAGLSVGAVAVYIPEEGIDIKMLARDIDFLRDNFARDKGANRAGKIILRNECASSTYTTQVVADMIKEEAKGRFESRAAVPGHFQQGGKPSPMDRIRALRMATKCMLHLESYAGKSADEIAADELSASVIGIKGSQVLFSPMGGETGLEATETDWARRRPKTEFWLELQDTVNILSGRASVNNATWSCYENA,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_8151878b74c52e0b7b269877,test
catpreddb_km_km_aaffb701dc4adf,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.3010299956639813,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_ab2ed5dd54b46f,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](C)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.3010299956639813,,s_955f208818110e17c458234b,test
catpreddb_km_km_ab46ff1adaab1e,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,CC1Nc2nc(N)[nH]c(=O)c2NC1C,CC1Nc2nc(N)[nH]c(=O)c2NC1C,CC1Nc2nc(N)[nH]c(=O)c2NC1C>>,public_strict_iteration1_fulltrue_msa,,-0.9788107009300618,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_ab655b414ca5f0,catpred_iteration1_km,km,A0SZU9,A0SZU9,MSHILVADVGGTKLATALFNQHQQLLIKREVPSDISTRDALFHCLINSFELLCMEKKLSFKDISKVSIGLPGIVDVQKGLAIYQNNIPWRNFPICERLVEFFPHAQIMMDNDVHMAAWGEYNARGFQKETMVYVTLSTGISCCTIVNGEFLRGTGLAGEIGFNIVGHAGETLEESVAGPAIEKLGRVLLGNSAIRLKDMMELYYKGDPIMEKVLQQIIDCMEKQLHQMILMLDPHCIVLGGGFFNHQPKIIEQIKEVIQQRLLRTPFEGKEQIIESSIRKAEAGLYGAAMK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2839966563652008,,s_783a3058f9fb50df54db6cfb,test
catpreddb_km_km_ab6c5bdc12da7e,catpred_iteration1_km,km,Q8II79,Q8II79,MENEQNNQDSENGLDYFRSMYDRYRDVFINHINDYVLEDDIKIIISKYYKLLFDYNCLGGKNNRGILVILIYEYVKNRDINCNEWEKVACIAWCIEILQASFLVADDIMDKGETRRNKHCWYLLKDVEIKNAVNDVFLLYNAIYKLLDVYLRNDNCYLDLITSFREATLKTIVGQHLDTNIFSDKYSHIDKDIDVNNINISQENKININMLNFKVYQNIIIHKTAYYSFFLPIVCGMQMGGISLDNLLYKKVENIAILMGEYFQVHDDYIDTFGDSKKTGKVGSDIQNNKLTWPLIKAFELCSQPEKEDIIRNYGKDNVTCIKFINDIYEHYNIRDHYVEYEKKQKMKILEAINQLHHEGIEYVLKYVMDILFTGA,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_c42938b12aaaad3b796cfd65,test
catpreddb_km_km_ab756a13b1c361,catpred_iteration1_km,km,F4K884,F4K884,MEILPIPAESFKVGFIGAGKMAESIARGVVASGVLPPNRICTAVHSNLNRRDVFESFGVNVFSTSEEVVKESDVVIFSVKPQVVKKAVTELKSKLSKNKILVSVAAGIKLNDLQEWSGQDRFIRVMPNTPAAVGEAASVMSLGTGATEEDGAIVAMLFGAVGKILKADEKMFDAVTGLSGSGPAYIFLAIEALADGGVAAGLPRELALSLASQTVSSWSCNDG,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_dccddde99b377b3d9911cbaa,test
catpreddb_km_km_ab934e89f9cb76,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,O=C(O)CO,O=C(O)CO,O=C(O)CO>>,public_strict_iteration1_fulltrue_msa,,1.1643528557844371,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_ab9c41534dd0fe,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCCc1ccccc1,NCCc1ccccc1,NCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.4521308428884862,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_aba7c15e42f39b,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3ccc(O)nc3=O)O[C@@H]2CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3ccc(O)nc3=O)O[C@@H]2CO)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3ccc(O)nc3=O)O[C@@H]2CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8477547361132561,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_ababeb0a934308,catpred_iteration1_km,km,P55786,P55786,MWLAAAAPSLARRLLFLGPPPPPLLLLVFSRSSRRRLHSLGLAAMPEKRPFERLPADVSPINYSLCLKPDLLDFTFEGKLEAAAQVRQATNQIVMNCADIDIITASYAPEGDEEIHATGFNYQNEDEKVTLSFPSTLQTGTGTLKIDFVGELNDKMKGFYRSKYTTPSGEVRYAAVTQFEATDARRAFPCWDEPAIKATFDISLVVPKDRVALSNMNVIDRKPYPDDENLVEVKFARTPVMSTYLVAFVVGEYDFVETRSKDGVCVRVYTPVGKAEQGKFALEVAAKTLPFYKDYFNVPYPLPKIDLIAIADFAAGAMENWGLVTYRETALLIDPKNSCSSSRQWVALVVGHELAHQWFGNLVTMEWWTHLWLNEGFASWIEYLCVDHCFPEYDIWTQFVSADYTRAQELDALDNSHPIEVSVGHPSEVDEIFDAISYSKGASVIRMLHDYIGDKDFKKGMNMYLTKFQQKNAATEDLWESLENASGKPIAAVMNTWTKQMGFPLIYVEAEQVEDDRLLRLSQKKFCAGGSYVGEDCPQWMVPITISTSEDPNQAKLKILMDKPEMNVVLKNVKPDQWVKLNLGTVGFYRTQYSSAMLESLLPGIRDLSLPPVDRLGLQNDLFSLARAGIISTVEVLKVMEAFVNEPNYTVWSDLSCNLGILSTLLSHTDFYEEIQEFVKDVFSPIGERLGWDPKPGEGHLDALLRGLVLGKLGKAGHKATLEEARRRFKDHVEGKQILSADLRSPVYLTVLKHGDGTTLDIMLKLHKQADMQEEKNRIERVLGATLLPDLIQKVLTFALSEEVRPQDTVSVIGGVAGGSKHGRKAAWKFIKDNWEELYNRYQGGFLISRLIKLSVEGFAVDKMAGEVKAFFESHPAPSAERTIQQCCENILLNAAWLKRDAESIHQYLLQRKASPPTV,CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_ca16bb935eec639e78acc42f,test
catpreddb_km_km_abafd432f5c53a,catpred_iteration1_km,km,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_b8c0da372cb95f619176f62b,test
catpreddb_km_km_abb8a07bed0e89,catpred_iteration1_km,km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public_strict_iteration1_fulltrue_msa,,0.414973347970818,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_abdfe3d11d55e4,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(C(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_abe82cd1de6d7e,catpred_iteration1_km,km,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5417468864440194,,s_e8cf4514befa1a1899f825d0,test
catpreddb_km_km_abe8e57c9df0d1,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CC(=O)CN,CC(=O)CN,CC(=O)CN>>,public_strict_iteration1_fulltrue_msa,,-1.1804560644581312,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_abfab75b38fc92,catpred_iteration1_km,km,B0JFD4,B0JFD4,MLRRSVLCAVQHKQLWQRQRSMSSLLCSKALIDGKWVSALSGDTFEVKNPANGKVIGSVPNMNEKDAQMAITAARNAFYSEEWTSLTAKQRSQLLKNWYHLIEKHTQEIAEIMTAESGKPIIESKAEVFYGNAFMEWFAEEARRIYGEIVPTPVPNRELIVMKQPLGVAALITPWNFPLAMITRKAGAALAAGCTVVIKPAEDTPFTALAVAKLAEEAGIPKGVVNVVTSNKAPPIGELFCKSPDVQGISFTGSTEVGKILFRQSADGIKRVSLELGGNAPFIVFDSANLEKAVDGAMASKFRNCGQTCVSSNRFFVQEGIYDKFVAALKERVEALKIGPGDKDTTQVGPLVNAMQFNKVSGFVEDARSKNAEILCGGKPLKELGDLFYAPTVVTNIPPNAKIYTEEVFGPVVSIIKFSTEEEALAKANESRRGLAGYFYSDNIQQIFRVAKRLEVGMVGVNEGLISAAEAPFGGIKESGIGREGSHHGIDEYTEVKYICIGNLKYN,O=Cc1ccc(C(=O)O)cc1,O=Cc1ccc(C(=O)O)cc1,O=Cc1ccc(C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.1101382787418117,,s_f4328dd84240d18560a03152,test
catpreddb_km_km_abfc883d9b58d1,catpred_iteration1_km,km,O14295,O14295,MPIVSGFKVGPIGFGLMGLTWKPKQTPDEEAFEVMNYALSQGSNYWDAGEFYGVDPPTSNLDLLARYFEKYPENANKVFLSVKGGLDFKTLVPDGNPDFVSKSVENVIAHLRGTKKLDLFQCARVDPNVPIETTMKTLKGFVDSGKISCVGLSEVSAETIKRAHAVVPIAAVEVEYSLFSRDIETNGIMDICRKLSIPIIAYSPFCRGLLTGRIKTVEDLKEFAKSFPFLEYLDRFSPDVFAKNLPFLQAVEQLAKKFGMTMPEFSLLFIMASGNGLVIPIPGSTSVSRTKSNLNALNKSLSPEQFKEAKEVLSKYPIYGLRYNEQLAGTLSV,O=Cc1ccccn1,O=Cc1ccccn1,O=Cc1ccccn1>>,public_strict_iteration1_fulltrue_msa,,0.1172712956557642,,s_6e132a0a8fbd4010846c26d9,test
catpreddb_km_km_ac0ed42f7454d2,catpred_iteration1_km,km,B8RCD2,B8RCD2,MGSIEQKSRILVFGGTGYIGNFIVKACVAAGHPTYVYVRPMKPDHNPSKLDVLNEYKSLGVTIFEGELDEHEKLVDVLRQVDIVIVTLAIPQCHEQHKIIEAMKEAGNIKRFIPSEFGNDVDRISPLPPFQEGVCKIKKGVRRAAEKSGIPYTFVSSNSCGAYFVNFLLRPSDEKLRKVTVYGTGEAKFPLNYEKDIAEYTLRLATDPRAANSLVFYRPPKNIVSQLDLISSWEKKTGRTLEKTYVSEEEIIKLSQTASTVQDAVGTSILHSIFVKGEQMNFELKEDELEVSKLYPDYKYTSVDELLDIFLVDPPKPASAAFG,CC(=O)OC/C=C/c1ccc(O)cc1,CC(=O)OC/C=C/c1ccc(O)cc1,CC(=O)OC/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8728952016351924,,s_d920ecd05e5eb8e840713999,test
catpreddb_km_km_ac29cc391c8d4a,catpred_iteration1_km,km,Q6HA27,Q6HA27,MRLAYPTARRSAASYVLHNVTVPEPYDYLEDPENNETKSFVKAQNDLFGEYMRSTEALGNKLYNRISQTFDFPRTSNPSFRNGRYYFYHNTGLQNQSVLKRATSLTDSNPTTFLDPNILSNDGTTALKATAWSEDESLFAYSASDKGSDWQHIHVRRADTAEDTEDVIEWAKFTGISWLHNTGFFYTRFPALKGDVDKGAETDAAKDPFVCFHRLGTKQDEDAVVLSLPEHPHWGVSAEVSNCHSYLVVSITDGCEPKNLIWITKLPIDGAEKLSPSTLTYNKLFNEFVGSFEYLGNDGTTFYFVTTRDAPRKKIISVDIATGKEQIVVGEREAVLDHAALVKNTLILVYLEDVKSTLYYCCLDKPELKKITIPIGAISSLFADRKVDLVSFKVTSFLLPGRSFVLDINDPEGSLRVFKDDNIEGLSADDFITEQKFYNSADGTRIPMFIIHRKGIVTSESPVLLYGYGGFNISLTPSFSSSRVVFLQHLRGVLAVPNIRGGGEYGEAWHNAGRLTSKQNCFTDFIEAAKFLHGNGYGNPATTAIMGGSNGGLLVAAVANQAPELFRCVICQVGVLDMYKFHKFTIGHAWRSDFGDPDKEEDFKVLQKYSPLHNIKSGVKYPAILVVTGDHDDRVVPLHSLKYIAALQHENPTEGGPFLARVEVAAGHGAGKPTSKIMQESADIYTFIAKNTNAQWTD,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@@H]3CCCN3C(=O)CN=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.5865684292499045,,s_2692adf4f770eac72f57ac8a,test
catpreddb_km_km_ac42873192459e,catpred_iteration1_km,km,Q9CID5,Q9CID5,MTEKDWIIQYDKKEVGKRSYGQESLMSLGNGYLGLRGAPLWSTCSDNHYPGLYVAGVFNRTSTEVAGHDVINEDMVNWPNPQLIKVYIDGELVDFEASVEKQATIDFKNALQIERYQVKLAKGNLTLVTTKFVDPINFHDFGFVGEIIADFSCKLRIETFTDGSVLNQNVERYRAFDSKEFEVTKISKGLLVAKTRTSEIELAIASKSFLNGLAFPKIDSENDEILAEAIEIDLQKNQEVQFDKTIVIASSYESKNPVEFVLTELSATSVSKIQENNTNYWEKVWSDADIVIESDHEDLQRMVRMNIFHIRQAAQHGANQFLDASVGSRGLTGEGYRGHIFWDEIFVLPYYAANEPETARDLLLYRINRLTAAQENAKVDGEKGAMFPWQSGLIGDEQSQFVHLNTVNNEWEPDNSRRQRHVSLAIVYNLWIYSQLTEDESILTDGGLDLIIETTKFWLNKAELGDDGRYHIDGVMGPDEYHEAYPGQEGGICDNAYTNLMLTWQLNWLTELSEKGFEIPKELLEKAQKVRKKLYLDIDENGVIAQYAKYFELKEVDFAAYEAKYGDIHRIDRLMKAEGISPDEYQVAKQADTLMLIYNLGQEHVTKLVKQLAYELPENWLKVNRDYYLARTVHGSTTSRPVFAGIDVKLGDFDEALDFLITAIGSDYYDIQGGTTAEGVHIGVMGETLEVIQNEFAGLSLREGQFAIAPYLPKSWTKLKFNQIFRGTKVEILIENGQLLLTASADLLTKVYDDEVQLKAGVQTKFDLK,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,1.505149978319906,,s_ab9ef1581700d6578984f55f,test
catpreddb_km_km_ac5c44f353e061,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.785329835010767,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_ac7071f66fcbed,catpred_iteration1_km,km,Q76IQ9,Q76IQ9,MKYGYFDNDNREYVITRPDVPAPWTNYLGTEKFCTVISHNAGGYSFYNSPEYNRVTKFRPNATFDRPGHYVYLRDDDSGDYWSISWQPVAKSLDEAQYQIRHGLSYSKFQCDYNGIHARKTLFVPKGEDAEIWDVVIKNTSDQVRTISAFSFVEFSFSHIQSDNQNHQMSLYSAGTAYRPGLIEYDLYYNTDDFEGFYYLASTFDPDSYDGQRDRFLGLYRDEANPLAVEQGRCSNSAQTCYNHCGSLHKQFTLQPGEEIRFAYILGIGKGNGERLREHYQDVANIDAAFAAIKAHWDERCAKFQVKSPNQGLDTMINAWTLYQAETCVVWSRFASFIEVGGRTGLGYRDTAQDAISVPHANPEMTRKRIVDLLRGQVKAGYGLHLFDPDWFDPEKEDVAPSKSPTVVPTPSDEDKIHGIKDTCSDDHLWLIPTICKYVMETGETSFFDQMIPYADGGEASVYEHMKAALDFSAEYVGQTGICKGLRADWNDCLNLGGGESSMVSFLHFWALQEFIDLAKFLGKDQDVNTYTEMAANVREACETHLWDDEGGWYIRGLTKNGDKIGTAQQQEGRVHLESNTLAVLSGLASQERGEQAMDAVDEHLFSPYGLHLNAPSFSTPNDDIGFVTRVYQGVKENGAIFSHPNPWAWVAETKLGRGDRAMKFYDALNPYNQNDIIEKRIAEPYSYVQFIMGRDHQDHGRANHPWLTGTSGWAYFAVTNYILGVQSGFTGLSVDPCIPSDWPGFEVTRQWRGATYHIQVENPDHVSKGVKSITLNGAPIQGRIPPQAQGSDNQVVVVLG,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.8061799739838872,,s_d24d15431a8db96d17b3098d,test
catpreddb_km_km_ac7837d2b0b600,catpred_iteration1_km,km,P07871,P07871,MHRLQVVLGHLAGRSESSSALQAAPCSAGFPQASASDVVVVHGRRTPIGRAGRGGFKDTTPDELLSAVLTAVLQDVKLKPECLGDISVGNVLQPGAGAAMARIAQFLSGIPETVPLSAVNRQCSSGLQAVANIAGGIRNGSYDIGMACGVESMTLSERGNPGNISSRLLENEKARDCLIPMGITSENVAERFGISRQKQDAFALASQQKAASAQSKGCFRAEIVPVTTTVLDDKGDRKTITVSQDEGVRPSTTMEGLAKLKPAFKDGGSTTAGNSSQVSDGAAAVLLARRSKAEELGLPILGVLRSYAVVGVPPDIMGIGPAYAIPAALQKAGLTVNDIDIFEINEAFASQALYCVEKLGIPAEKVNPLGGAIALGHPLGCTGARQVVTLLNELKRRGRRAYGVVSMCIGTGMGAAAVFEYPGN,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0861861476162886,,s_b19a8f0986d15ddae5bdcdf4,test
catpreddb_km_km_ac8b0f0c800147,catpred_iteration1_km,km,P9WGR1,P9WGR1,MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL,CCCCCCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_d9241b63fbac3c7e22a88593,test
catpreddb_km_km_ac8bc8dbc4d53c,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,Cc1ccccc1C(O)=NCC(=O)O,Cc1ccccc1C(O)=NCC(=O)O,Cc1ccccc1C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6334684555795865,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_aca1cbcf60fa4a,catpred_iteration1_km,km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public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_aca9ed4f7f03f4,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.161150909262745,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_acad59966b87e4,catpred_iteration1_km,km,A0A841A5T7,A0A841A5T7,MAQERVALVTGGTRGIGAAISKRLKDKGYKVAANYGGNDEAANAFKAETGIPVFKFDVGDLASCEAGIKAIEAEVGPIDILVNNAGITRDGAFHKMTFEKWQAVIKTNLDSMFTCTRPLIEGMRSRNFGRIIIISSINGQKGQAGQTNYSAAKAGVIGFAKALAQESASKGVTVNVVAPGYIATEMVMAVPEDIRNKIISTIPTGRLGEADEIAHAVEYLASDEAGFVTGSTLTINGGQHFV,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_a9fe2bf93c0f5cd76f176392,test
catpreddb_km_km_acbbe04b83ec47,catpred_iteration1_km,km,P20456,P20456,MADPWQECMDYAVTLAGQAGEVVREALKNEMNIMVKSSPADLVTATDQKVEKMLITSIKEKYPSHSFIGEESVAAGEKSILTDNPTWIIDPIDGTTNFVHGFPFVAVSIGFVVNKKMEFGIVYSCLEDKMYTGRKGKGAFCNGQKLQVSHQEDITKSLLVTELGSSRTPETVRIILSNIERLLCLPIHGIRGVGTAALNMCLVAAGAADAYYEMGIHCWDVAGAGIIVTEAGGVLLDVTGGPFDLMSRRVIASSNKTLAERIAKEIQIIPLQRDDED,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.6989700043360189,,s_835376cafd645d9f967b285e,test
catpreddb_km_km_acc625b62f078a,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-1.8761483590329144,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_ace19f674c09b4,catpred_iteration1_km,km,P04798,P04798,MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFDTVTTAISWSLMYLVMNPRVQRKIQEELDTVIGRSRRPRLSDRSHLPYMEAFILETFRHSSFVPFTIPHSTTRDTSLKGFYIPKGRCVFVNQWQINHDQKLWVNPSEFLPERFLTPDGAIDKVLSEKVIIFGMGKRKCIGETIARWEVFLFLAILLQRVEFSVPLGVKVDMTPIYGLTMKHACCEHFQMQLRS,COc1ccc2[nH]cc(CCN=C(C)O)c2c1,COc1ccc2[nH]cc(CCN=C(C)O)c2c1,COc1ccc2[nH]cc(CCN=C(C)O)c2c1>>,public_strict_iteration1_fulltrue_msa,,-1.7166987712964503,,s_716474a92aa109ca90555f9e,test
catpreddb_km_km_acf1eec4fa33e9,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0915149811213505,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_acf727d1ebc595,catpred_iteration1_km,km,P0AEW6,P0AEW6,MKFPGKRKSKHYFPVNARDPLLQQFQPENETSAAWVVGIDQTLVDIEAKVDDEFIERYGLSAGHSLVIEDDVAEALYQELKQKNLITHQFAGGTIGNTMHNYSVLADDRSVLLGVMCSNIEIGSYAYRYLCNTSSRTDLNYLQGVDGPIGRCFTLIGESGERTFAISPGHMNQLRAESIPEDVIAGASALVLTSYLVRCKPGEPMPEATMKAIEYAKKYNVPVVLTLGTKFVIAENPQWWQQFLKDHVSILAMNEDEAEALTGESDPLLASDKALDWVDLVLCTAGPIGLYMAGFTEDEAKRKTQHPLLPGAIAEFNQYEFSRAMRHKDCQNPLRVYSHIAPYMGGPEKIMNTNGAGDGALAALLHDITANSYHRSNVPNSSKHKFTWLTYSSLAQVCKYANRVSYQVLNQHSPRLTRGLPEREDSLEESYWDR,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.214670164989233,,s_bdaacbb97eeee199b78bca5e,test
catpreddb_km_km_acf84bec2a6a05,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6363880201078557,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_ad00429c5ad57f,catpred_iteration1_km,km,Q9KWR0,Q9KWR0,MSAIRVGIVGYGNLGRGVEFAISQNPDMELVAVFTRRDPSTVSVASNASVYLVDDAEKFQDDIDVMILCGGSATDLPEQGPHFAQWFNTIDSFDTHAKIPEFFDAVDAAAQKSGKVSVISVGWDPGLFSLNRVLGEAVLPVGTTYTFWGDGLSQGHSDAVRRIEGVKNAVQYTLPIKDAVERVRNGENPELTTREKHARECWVVLEEGADAPKVEQEIVTMPNYFDEYNTTVNFISEDEFNANHTGMPHGGFVIRSGESGANDKQILEFSLKLESNPNFTSSVLVAYARAAHRLSQAGEKGAKTVFDIPFGLLSPKSAAQLRKELL,O=C(O)C1=N[C@H](C(=O)O)CCC1,O=C(O)C1=N[C@H](C(=O)O)CCC1,O=C(O)C1=N[C@H](C(=O)O)CCC1>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_68da8d735af24f5f6ba0cee8,test
catpreddb_km_km_ad0189a4d4d90f,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_ad0384a353e28e,catpred_iteration1_km,km,Q8U1M0,Q8U1M0,MEKKKVVIIGGGAAGMSAASRVKRLRPEWDVKVFEATEWVSHAPCGIPYVVEGIAPKEKLMHYPPEVFIKKRGIDLHLKAEVIEVETGYVRVRENGEEKSYEWDYLVFANGASPQIPEIEGVDLPGVFTADLPPDAVAITEYMEKNKVEDVVIIGTGYIALEMAEAFVTRGKNVTLIGRSERVLRKTFDKEITDIVEEKLRQHLNLRLHEKTLSIEGRERVEKVITDGGEYKADLVIIATGIKPNVELAKQLGVKIGETGAIWTNEKMQTSVENVYAAGDVAETKHVITGKRVWIPLAPAGNKMGYVAGSNIAGKEIEFPGVLGTSITKFMDLEIGKTGLTENEAVKEGYDVRTAFIKANTKPHYYPGGREIWLKGVVDNETNRLLGVQAVGAEILPRIDSAAAMITAGFTTKDVFFTDLAYAPPFAPVWDPLIVLARVLKF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.744727494896694,,s_583189ca36f83aabc36b844d,test
catpreddb_km_km_ad0441e97162f8,catpred_iteration1_km,km,P20582,P20582,MGNPILAGLGFSLPKRQVSNHDLVGRINTSDEFIVERTGVRTRYHVEPEQAVSALMVPAARQAIEAAGLLPEDIDLLLVNTLSPDHHDPSQACLIQPLLGLRHIPVLDIRAQCSGLLYGLQMARGQILAGLARHVLVVCGEVLSKRMDCSDRGRNLSILLGDGAGAVVVSAGESLEDGLLDLRLGADGNYFDLLMTAAPGSASPTFLDENVLREGGGEFLMRGRPMFEHASQTLVRIAGEMLAAHELTLDDIDHVICHQPNLRILDAVQEQLGIPQHKFAVTVDRLGNMASASTPVTLAMFWPDIQPGQRVLVLTYGSGATWGAALYRKPEEVNRPC,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccccc1N>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_6a1c104bccddecf5e299e61e,test
catpreddb_km_km_ad191c49820917,catpred_iteration1_km,km,G5EBD7,G5EBD7,MRIGIIGLGRMGGNIAVRLTRHGHDVVVHDRTSEVTTSVVGRCEAGRATPADTLADMAKLLEGDEHRVVWVMLPAGAITEDCVQQLGGLLGRGDIIIDGGNTYYKDDVRRSAELAEKGISYVDVGTSGGVWGLERGYCMMFGGTKETAEYIDPILSALAPGIGDVPRTPGRDEAGHDPRAEQGYLHCGPAGSGHFVKMVHNGIEYGMMQAFAEGFDIMKSKNSPILAEKDRFELNMGDIAEVWRRGSVVSSWLLDLTAEALTRSETLNEFSGEVADSGEGRWTIEAAIEEDVPAPVMTAALFTRFRSRSGNNFAEKILSAQRFGFGGHVEKK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.193820026016113,,s_b085025cb90a58e245a85d0b,test
catpreddb_km_km_ad3b6241d8a7b1,catpred_iteration1_km,km,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,CC(=O)OP(=O)(O)O,CC(=O)OP(=O)(O)O,CC(=O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3187587626244128,,s_2925763e116557ae8a1c8b26,test
catpreddb_km_km_ad666830e144b6,catpred_iteration1_km,km,A0A5J6FK15,A0A5J6FK15,MFATGSATAAPATGSYTLKNAASGLCLGVPGASSSAGVQLAQAACNGAAGQTWKLTASGSGYTLTAAHSSKCAGVKDASTSAGKAVEQQNCGGAATQVWTLTPVSGSTYRVVNSNGGKCLNVKDGSTAAGALVQQNSCDSVTSKSWTFTAAGTTPTDPPTDPTDPPTDPPTDKPSWPAANGSQAVSSTMKVSGTYDGGMKRLYGSGDLGSGGQDEDQPALIELADGATLQNVILGAPAADGVHCSGACTIKNVWWEDVGEDAATFRGSSSSTVRTVDGGGARLAQDKVFQHNGAGTLVVKNFQVEDFGKLVRSCGNCSTQYGRHIQLQNIWVTTPGDSLVGINTNYGDTARFSDVTIYDDAGRDLDVCVKYKGTTSGEPSKIGSGADGTNCIYSSSDISYVD,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6C(=O)O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4202164033831898,,s_c67ec5fee2328e582676d9cf,test
catpreddb_km_km_ad6d6aa66d512d,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_ad6df08b7bc469,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_ad784c5aef222b,catpred_iteration1_km,km,Q9UV63,Q9UV63,MSTPHHQFESKSSTAIRRRLSSSVSSKQRPNIMTTTFASLTPMWAGVAGTLVNNNTQYEIAVTVHDGVYSTDFASVIIPVTPGDTVKNSKDIEAQVLNLIRKFSAEHLCKFLGAGITLALLKECPNLCTRLWLDMDIVPIVFNIKPFHTDSVTRPNIKHRISSTTGSYVPSGSETPTVYVEASHLGDPSHLSPNAAQKLPIPRTLDEQSDSAARKCLMYFGPNNNPRLSIGARNPVTVDAGGKIHLIDDLEEYRMTVGAGTWNAVIKLADELREKKVKIGFFSSTPQGGGVALMRHALIRFLTALDVDVAWYVPNPSPQVFRTTKNNHNILQGVAAPDLRLTQEAKDAFDAWILKNGLRWTAEGGPLAPGGVDVVFIDDPQMPGLIPLIKKVRPEVPIVYRSHIEIRNDLVHVAWSPQEEVWKYLWNNIQLADLFISHPVSKFVPSDVPTEKLALLGAATDWLDGLNKDLDPWDSPFYMGEFRPRGSHLNRGEFRSLCAKEKMHELNWPARDYIVQVARFDPSKGIPNVVDSYYKFRNLLRTRSPDMDESEHPQLLICGHGAVDDPDASIIYDQIMALVNSDPYKEYAHDIVVMRLPPSDELLNAMMANSRIALQLSTREGFEVKVSEALHTGKPVIACRTGGIPLQIQHGKSGYLTTPGEKDAVAGHFYDFYTDEALYRKMSDFARTHVSNEVGTVGNAAAWLYLAVMYSRGEKIKPNGAWINDFFREETGEPYKEGETKLPRTKLDMQG,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.5352941200427703,,s_8e77aca779535730bf6822e5,test
catpreddb_km_km_ad7ad14caba136,catpred_iteration1_km,km,A0A0S4FKT4,A0A0S4FKT4,VIGGDECNINEHNFLVALYEYWSQSFLCGGTLINGEWVLTAAHCDRKHILIYVGVHDRSVQFDKEQRRFPKEKYFFNCRNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRVMGWGTIKSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATIRILCAGVLEGGIDTCHRDSGGPLICNGEFQGIVSWGDGSCAQPDKPALYSKVFDHLDWIQNIIAGSETVNCPS,COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1,COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1,COC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(C)cc1>>,public_strict_iteration1_fulltrue_msa,,0.1905810144634775,,s_22e3a138b8ec84d349adba04,test
catpreddb_km_km_ad8f758d000ec9,catpred_iteration1_km,km,P37201,P37201,MALDKLDLYVIITLVVAIAAYFAKNQFLDQQQDTGFLNTDSGDGNSRDILQALKKNNKNTLLLFGSQTGTAEDYANKLSRELHSRFGLKTMVADFADYDFENFGDITEDILVFFIVATYGEGEPTDNADEFHTWLTEEADTLSTLKYTVFGLGNSTYEFFNAIGRKFDRLLGEKGGDRFAEYGEGDDGTGTLDEDFLAWKDNVFDSLKNDLNFEEKELKYEPNVKLTERDDLSGNDPDVSLGEPNVKYIKSEGVDLTKGPFDHTHPFLARIVKTKELFTSEDRHCVHVEFDISESNLKYTTGDHLAIWPSNSDENIKQFAKCFGLEDKLDTVIELKALDSTYSIPFPNPITYGAVIRHHLEISGPVSRQFFLSIAGFAPDEETKKSFTRIGGDKQEFASKVTRRKFNIADALLFASNNRPWSDVPFEFLIENVQHLTPRYYSISSSSLSEKQTINVTAVVEAEEEADGRPVTGVVTNLLKNIEIEQNKTGETPMVHYDLNGPRGKFSKFRLPVHVRRSNFKLPKNSTTPVILIGPGTGVAPLRGFVRERVQQVKNGVNVGKTVLFYGCRNSEQDFLYKQEWSEYASVLGENFEMFNAFSRQDPTKKVYVQDKILENSALVDELLSSGAIIYVCGDASRMARDVQAAIAKIVAKSRDIHEDKAAELVKSWKVQNRYQEDVW,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.5095440311115782,,s_cce092348796a21776416ec0,test
catpreddb_km_km_adae9b7e72b97b,catpred_iteration1_km,km,Q9Z5X1,Q9Z5X1,MPLLDSFTVDHTRMNAPAVRVAKTMQTPKGDTITVFDLRFTAPNKDILSEKGIHTLEHLYAGFMRNHLNGDSVEIIDISPMGCRTGFYMSLIGTPSEQQVADAWIAAMEDVLKVENQNKIPELNEYQCGTAAMHSLDEAKQIAKNILEVGVAVNKNDELALPESMLRELRID,N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O,N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O,N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.408935392973501,,s_9b4b99918b527257ea3e656b,test
catpreddb_km_km_adc1a9994293a2,catpred_iteration1_km,km,P23228,P23228,MPGSLPVNTESCWPKDVGIVALEIYFPSQYVDQTELEKYDGVDAGKYTIGLGQSKMGFCSDREDINSLCLTVVQKLMERNSLSYDCIGRLEVGTETIIDKSKSVKTVLMQLFEESGNTDVEGIDTTNACYGGTAALFNAINWIESSSWDGRYALVVAGDIAVYATGNARPTGGAGAVAMLVGSNAPLIFERGLRGTHMQHAYDFYKPDMVSEYPVVDGKLSIQCYLSALDRCYSVYRNKIHAQWQKEGTDRGFTLNDFGFMIFHSPYCKLVQKSVARLLLNDFLSDQNAETANGVFSGLEAFRDVKLEDTYFDRDVEKAFMKASAELFNQKTKASLLVSNQNGNMYTPSVYGCLASLLAQYSPEHLAGQRISEFSYGSGFAATLYSIRVTQDATPGSALDKITASLSDLKARLDSRKCIAPDVFAENMKIRQETHHLANYIPQCSVEDLFEGTWYLVRVDEKHRRTYARRPVMGDGPLEAGVEVVHPGIVHEHIPSPAKKVPRIPATTESEGVTVAISNGVH,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5420101724239248,,s_9f35232fc2f9617e4c43db0c,test
catpreddb_km_km_adf22f379b94e9,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,S,S,S>>,public_strict_iteration1_fulltrue_msa,,-1.193820026016113,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_adf99ce3789420,catpred_iteration1_km,km,A0A1B4XQN4,A0A1B4XQN4,MKKVLMGVLSLGLLLGAATGCTSDQEKAAGKTKASSEKTEATSGASANGYTDPSELKDSYDVVIVGSGGAGMTAALQAKEAGMNPVILEKMPVAGGNTIKSSSGMNASQTKFQEKEGIKDSNDKFFEETLKGGKGTNDQELLRYFVDHSAEAIDWLDTKGITLSNLTITGGMSEKRTHRPADGSAIGGYLVDGLVRNVREEKIPLFVDADVTDLVEENGQIDGVKVKMKDDKEKTVKAKAVVVTTGGFGANEKLITQYKPELKNYVTTNQEGTTGDGIQMIQKVGGALVDMKEIQIHPTVQQSDAFLIGEAVRGEGAILASQKGERFVNELDTRDKVSAAINALPEKSAYLVFDQGVRDRAKAIDFYDQKGFVEKGETIEELAEKIGMPADTLKATIDTWNQDVNAKDDKQFGRTTGMEADLSTAPYYAIKIAPGIHHTMGGVKINTKTEVLREDGTPIKGLYAAGELTGGLHGQNRIGGNAIADIIIYGRQAGTQSAEFASAQK,Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1N=C(O)N=C(O)C1=N2,Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1N=C(O)N=C(O)C1=N2,Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)C1N=C(O)N=C(O)C1=N2>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_ab54752a67fa78512d0ff956,test
catpreddb_km_km_ae161d5fe38bb3,catpred_iteration1_km,km,Q55145,Q55145,MSDTQNTGQNQAKARQLLGMKGAAPGESSIWKIRLQLMKPITWIPLIWGVVCGAASSGGYIWSVEDFLKALTCMLLSGPLMTGYTQTLNDFYDRDIDAINEPYRPIPSGAISVPQVVTQILILLVAGIGVAYGLDVWAQHDFPIMMVLTLGGAFVAYIYSAPPLKLKQNGWLGNYALGASYIALPWWAGHALFGTLNPTIMVLTLIYSLAGLGIAVVNDFKSVEGDRQLGLKSLPVMFGIGTAAWICVIMIDVFQAGIAGYLIYVHQQLYATIVLLLLIPQITFQDMYFLRNPLENDVKYQASAQPFLVFGMLATGLALGHAGI,C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[n-]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)[O-])[C@@H]3C.[Mg+4],C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[n-]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)[O-])[C@@H]3C.[Mg+4],C=Cc1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[n-]2)c(C)c6CC)C(C)=C5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)[O-])[C@@H]3C.[Mg+4]>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_bca93fd8b3f2b203dced4b43,test
catpreddb_km_km_ae16ac800ee69b,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCC[C@H](N)C(=O)O,CCC[C@H](N)C(=O)O,CCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_ae2f37bc3b9a24,catpred_iteration1_km,km,P21437,P21437,MMSLAWPLFRVTEQAALAAWPQTGCGDKNKIDGLAVTAMRQALNDVAFRGRVVIGEGEIDHAPMLWIGEEVGKGDGPEVDIAVDPIEGTRMVAMGQSNALAVMAFAPRDSLLHAPDMYMKKLVVNRLAAGAIDLSLPLTDNLRNVAKALGKPLDKLRMVTLDKPRLSAAIEEATQLGVKVFALPDGDVAASVLTCWQDNPYDVMYTIGGAPEGVISACAVKALGGDMQAELIDFCQAKGDYTENRQIAEQERKRCKAMGVDVNRVYSLDELVRGNDILFSATGVTGGELVNGIQQTANGVRTQTLLIGGADQTCNIIDSLH,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_177b6147736721bc6e5504f1,test
catpreddb_km_km_ae30f71d83e375,catpred_iteration1_km,km,Q7SIG3,Q7SIG3,VVGGRVAQPNSWPWQISLQYKSGSSYYHTCGGSLIRQGWVMTAAHCVDSARTWRVVLGEHNLNTNEGKEQIMTVNSVFIHSGWNSDDVAGGYDIALLRLNTQASLNSAVQLAALPPSNQILPNNNPCYITGWGKTSTGGPLSDSLKQAWLPSVDHATCSSSGWWGSTVKTTMVCAGGGANSGCNGDSGGPLNCQVNGSYYVHGVTSFVSSSGCNASKKPTVFTRVSAYISWMNGIM,CC(C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)[C@H](N=C(O)[C@H]1CCCN1C(=O)[C@@H](C)N=C(O)[C@@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0861861476162833,,s_20f7683f837eb8444a532bea,test
catpreddb_km_km_ae33c882e8395c,catpred_iteration1_km,km,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CC(O)=NCCCC[C@H](N=C(O)[C@H](C)N=C(C)O)C(O)=N[C@@H](C)C(=N)O,CC(O)=NCCCC[C@H](N=C(O)[C@H](C)N=C(C)O)C(O)=N[C@@H](C)C(=N)O,CC(O)=NCCCC[C@H](N=C(O)[C@H](C)N=C(C)O)C(O)=N[C@@H](C)C(=N)O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_km_km_ae4fe945b855ab,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)N1CCC(O)[C@H]1C(=N)O)C(C)C)C(C)C,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)N1CCC(O)[C@H]1C(=N)O)C(C)C)C(C)C,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=NCC(O)=N[C@@H](CC(C)C)C(=O)N1CCC(O)[C@H]1C(=N)O)C(C)C)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.2006594505464183,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_ae6296a4dfd29e,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O,CC1=CC(=O)c2ccccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.7212463990471711,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_ae6ddbdeedee9f,catpred_iteration1_km,km,Q8TCT0,Q8TCT0,MGATGAAEPLQSVLWVKQQRCAVSLEPARALLRWWRSPGPGAGAPGADACSVPVSEIIAVEETDVHGKHQGSGKWQKMEKPYAFTVHCVKRARRHRWKWAQVTFWCPEEQLCHLWLQTLREMLEKLTSRPKHLLVFINPFGGKGQGKRIYERKVAPLFTLASITTDIIVTEHANQAKETLYEINIDKYDGIVCVGGDGMFSEVLHGLIGRTQRSAGVDQNHPRAVLVPSSLRIGIIPAGSTDCVCYSTVGTSDAETSALHIVVGDSLAMDVSSVHHNSTLLRYSVSLLGYGFYGDIIKDSEKKRWLGLARYDFSGLKTFLSHHCYEGTVSFLPAQHTVGSPRDRKPCRAGCFVCRQSKQQLEEEQKKALYGLEAAEDVEEWQVVCGKFLAINATNMSCACRRSPRGLSPAAHLGDGSSDLILIRKCSRFNFLRFLIRHTNQQDQFDFTFVEVYRVKKFQFTSKHMEDEDSDLKEGGKKRFGHICSSHPSCCCTVSNSSWNCDGEVLHSPAIEVRVHCQLVRLFARGIEENPKPDSHS,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.883392256011752,,s_b1b54eb27787779c9e44bed0,test
catpreddb_km_km_ae97bd951409ec,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)nc(=N)[nH]c54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)nc(=N)[nH]c54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(O)nc(=N)[nH]c54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.9646117685782828,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_aea9fc4980f79f,catpred_iteration1_km,km,P36269,P36269,MARGYGATVSLVLLGLGLALAVIVLAVVLSRHQAPCGPQAFAHAAVAADSKVCSDIGRAILQQQGSPVDATIAALVCTSVVNPQSMGLGGGVIFTIYNVTTGKVEVINARETVPASHAPSLLDQCAQALPLGTGAQWIGVPGELRGYAEAHRRHGRLPWAQLFQPTIALLRGGHVVAPVLSRFLHNSILRPSLQASTLRQLFFNGTEPLRPQDPLPWPALATTLETVATEGVEVFYTGRLGQMLVEDIAKEGSQLTLQDLAKFQPEVVDALEVPLGDYTLYSPPPPAGGAILSFILNVLRGFNFSTESMARPEGRVNVYHHLVETLKFAKGQRWRLGDPRSHPKLQNASRDLLGETLAQLIRQQIDGRGDHQLSHYSLAEAWGHGTGTSHVSVLGEDGSAVAATSTINTPFGAMVYSPRTGIILNNELLDLCERCPRGSGTTPSPVSGDRVGGAPGRCWPPVPGERSPSSMVPSILINKAQGSKLVIGGAGGELIISAVAQAIMSKLWLGFDLRAAIAAPILHVNSKGCVEYEPNFSQEVQRGLQDRGQNQTQRPFFLNVVQAVSQEGACVYAVSDLRKSGEAAGY,N[C@@H](CCC(O)=N[C@@H](CS(=O)(=O)O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS(=O)(=O)O)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS(=O)(=O)O)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1243600629958317,,s_3e522460abccf995f0eab705,test
catpreddb_km_km_aec6a9ed4328c2,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.5850266520291822,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_aee5d51b706cf8,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cccs3)C2SC1>>,public_strict_iteration1_fulltrue_msa,,-0.8297382846050426,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_aef4feda8044f1,catpred_iteration1_km,km,Q12571,Q12571,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSINTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_7be56673c21fd425bdc26c98,test
catpreddb_km_km_af07c791275696,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,O=C(O)Cc1ccc(O)c(O)c1,O=C(O)Cc1ccc(O)c(O)c1,O=C(O)Cc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,1.2787536009528289,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_af0ad5533bffbe,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C(C)=O,CC(=O)C(C)=O,CC(=O)C(C)=O>>,public_strict_iteration1_fulltrue_msa,,-2.1870866433571443,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_af23c7306ba6c7,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,0.0324161098692869,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_af4b5666015488,catpred_iteration1_km,km,A0A0A7I435,A0A0A7I435,MEELTGEEVASLHSEYVMQSWHKQGGPVKPIKKADGIYFWDYDGKRYTDMSSLLVCSNLGHELPEIVDAIKEQADNMCFMAPAYASEPKSRLAKMLVDVADPDFYQRVFFTNGGADSNENAIKMARMVTGRPKIFSCYRSYHGSTIGASNASGDWRRFATELGGSAPGFVHFMNPNMYEDGYTRGVDDATVTADYLHRLDEQLQYEGPDSVAAILMESIVGANGVILPPEGYMEGVRALCDKYGILMICDEVMAGFGRTGKMFAWQNFDVKPDMFTFAKGVTCGYVPLGGVVVSKRISDYFTDHVLQCGLTYSGHTLACAAGVAAVNYYLEHDVCAHVKEMEGILKPFLESMVEKHKCVGEARCIGLFSALTIVKNKETRELMAPYHTPNSVMPQIMAKLMDLGFSTFGRETNINICPPLIITAEQLEEELPKLDKVLTWVDENLCD,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.255272505103306,,s_b25672eb002c4602d66471b6,test
catpreddb_km_km_af5c0de79a8621,catpred_iteration1_km,km,I3RYX9,I3RYX9,MNLEKFVDELPIPEVAEPVKKNPRQTYYEIAMEEVFLKVHRDLPPTKLWTYNGSLPGPTIHANRNEKVKVKWMNKLPLKHFLPVDHTIHEGHHDEPEVKTVVHLHGGVTPASSDGYPEAWFSRDFEATGPFFEREVYEYPNHQQACTLWYHDHAMALTRLNVYAGLAGFYLISDAFEKSLELPKDDYDIPLMIMDRTFQEDGSLFYPSRPNDTPEDSDIPDPSIVPFFCGETILVNGKVWPYLEVEPRKYRFRILNASNTRTYELHLDNDATIMQIGSDGGFLPRPVRHQSFSIAPAERFDVIIDFSAYENKTITLKNTAGCGQDVNPETDANIMQFKVTRPLKGRVPKTLRPIFKPLPPLRPSRADRERTLTLTGTQDKYGRPILLLDNHFWNDPVTENPRLGSLEVWSIVNPTRGTHPIHLHLVQFRVIDRRPFDTEVYQSTGEIVYTGPNEAPPLHEQGYKDTIQAHAGEVIRIVARFVPYTGRYVWHCHILEHEDYDMMRPMDIIQ,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2/sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.8764750190572681,,s_a45c77f876b0fbcc5adde9ef,test
catpreddb_km_km_af647f81cff3e5,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1741502963303508,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_af6c1a66f9ee65,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.6334684555795865,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_afce5a49140bd5,catpred_iteration1_km,km,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,C=CC=O,C=CC=O,C=CC=O>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_km_km_afd30d538b005c,catpred_iteration1_km,km,G5DGA8,G5DGA8,MMVKIQDSVYLVTGGGSGLGEATAKLLLTEGARVTIFSRNEYKNEFPHDQVLSVKGDVRSESDVKRALEATIQKFGKLDGVMHCAGVFQNGDELFNMDTQQPGDYTVLTDIVTTNLLGTFNVNRLAIPYFLTNQPDEEGQKGIIINCSSTSGHSPMSSAVAYSTSKAAIIGLSYALAKQLSTLGIRVMDIAPALCDTPMFRRAVGFNQDIANFRNLFPARLIQPIEYANAVKHIIETPMLNGSSYQLDGALRP,C=CC(=C)C[C@@H](O)C=C(C)C,C=CC(=C)C[C@@H](O)C=C(C)C,C=CC(=C)C[C@@H](O)C=C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.250444465887193,,s_be1fd4afe3a92494c2d08c64,test
catpreddb_km_km_afdcc4798d165d,catpred_iteration1_km,km,Q9RUB5,Q9RUB5,MNELPGTSDTPLLDQIHGPKDLKRLSREQLPALTEELRGEIVRVCSRGGLHLASSLGAVDIITALHYVLDSPRDRILFDVGHQAYAHKILTGRRDQMADIKKEGGISGFTKVSESEHDAITVGHASTSLANALGMALARDAQGKDFHVAAVIGDGSLTGGMALAALNTIGDMGRKMLIVLNDNEMSISENVGAMNKFMRGLQVQKWFQEGEGAGKKAVEAVSKPLADFMSRAKNSTRHFFDPASVNPFAAMGVRYVGPVDGHNVQELVWLLERLVDLDGPTILHIVTTKGKGLSYAEADPIYWHGPAKFDPATGEYVPSSAYSWSAAFGEAVTEWAKTDPRTFVVTPAMREGSGLVEFSRVHPHRYLDVGIAEEVAVTTAAGMALQGMRPVVAIYSTFLQRAYDQVLHDVAIEHLNVTFCIDRAGIVGADGATHNGVFDLSFLRSIPGVRIGLPKDAAELRGMLKYAQTHDGPFAIRYPRGNTAQVPAGTWPDLKWGEWERLKGGDDVVILAGGKALDYALKAAEDLPGVGVVNARFVKPLDEEMLREVGGRARALITVEDNTVVGGFGGAVLEALNSMNLHPTVRVLGIPDEFQEHATAESVHARAGIDAPAIRTVLAELGVDVPIEV,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O,O=C[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7374775964815774,,s_6a1c7eefe6967fc0409ab45c,test
catpreddb_km_km_afe3af1efba871,catpred_iteration1_km,km,K7NBW3,K7NBW3,MEKGDTHILVFPFPSQGHINPLLQLSKRLIAKGIKVSLVTTLHVSNHLQLQGAYSNSVKIEVISDGSEDRLETDTMRQTLDRFRQKMTKNLEDFLQKAMVSSNPPKFILYDSTMPWVLEVAKEFGLDRAPFYTQSCALNSINYHVLHGQLKLPPETPTISLPSMPLLRPSDLPAYDFDPASTDTIIDLLTSQYSNIQDANLLFCNTFDKLEGEIIQWMETLGRPVKTVGPTVPSAYLDKRVENDKHYGLSLFKPNEDVCLKWLDSKPSGSVLYVSYGSLVEMGEEQLKELALGIKETGKFFLWVVRDTEAEKLPPNFVESVAEKGLVVSWCSQLEVLAHPSVGCFFTHCGWNSTLEALCLGVPVVAFPQWADQVTNAKFLEDVWKVGKRVKRNEQRLASKEEVRSCIWEVMEGERASEFKSNSMEWKKWAKEAVDEGGSSDKNIEEFVAMLKQT,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12>>,public_strict_iteration1_fulltrue_msa,,-1.2350770153501116,,s_149cd835f6a77fca4008caab,test
catpreddb_km_km_aff2ee3e244b28,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-2.958607314841775,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_b010ecd5d9233c,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_b02cc885d6a759,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.7544873321858502,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_b05419f0bdcccc,catpred_iteration1_km,km,Q68SL7,Q68SL7,MSVVSAVSFMRPLHMRSPGPRGRRHTLPASEFRSLSPEDAISVFEIEREAFISVSGECPLHLDEVRHFLTLCPELSLGWFEEGRLVAFIIGSLWDQERLTTDALTLHKPHGTTVHIHVLAVHRTFRQQGKGSILMWRYLQYLRCLPYIRRAVLMCEDFLVPFYQKSGFKVQGPSDITVGPLTFIEMLYPVRGHAFMRRNSGC,NCCc1c[nH]c2ccc(O)cc12,NCCc1c[nH]c2ccc(O)cc12,NCCc1c[nH]c2ccc(O)cc12>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_ecc820d6303eca4ddb9ee17a,test
catpreddb_km_km_b05ffa27db3843,catpred_iteration1_km,km,G2IKV5,G2IKV5,MDQFNKTIKGIKDRGAAQLFIDGEWRASSGSNELTVVTPHNEETVLTYIEPTTADVDIAVAAARKAFDQGPWPRMSPAERGTYLKKVSDLLMARMPELAEAWTGQVGAVIGFTSKASYQVPGLFKFYGELNDSYPFIEERIGSMGGNKVRVVQEPVGVVAAVTPWNAPLVLLVYKVAAALAAGCTMVCKPSPETPIDAHILAECIKDAGIPAGVFNMLPAGREVGDHLIRHPGVDKISFTGSTAAGKHIAGVASERLARVSLELGGKSAAMILEDADMDHVLKSLVPYSMPITGQVCFSLTRVLVPKSRKAEIVDAYTSAVSKVKVGDPFQADVGMGPLTMQRQLERVQGYIEKGKAEGATLALGGGRPADLNRGFFVEPTVFTDVDPNMTIFKEEIFGPVVSFVDYDNEADMIAKANDTIYGLHGAVYTQDAERGFAVAREYRAGSVTINGMMVDIHMPFGGFKQSGIGRDGGLEGLENYLETKAVYFA,COc1cc(C=O)cc(OC)c1O,COc1cc(C=O)cc(OC)c1O,COc1cc(C=O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-3.318758762624413,,s_02b5510e5f9d2109bddd90ce,test
catpreddb_km_km_b06357493a0eb4,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O=[N+]([O-])c1ccccc1OC1OC[C@@H](O)[C@H](O)[C@H]1O,O=[N+]([O-])c1ccccc1OC1OC[C@@H](O)[C@H](O)[C@H]1O,O=[N+]([O-])c1ccccc1OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_b0690a3910e6e6,catpred_iteration1_km,km,O66496,O66496,MEKFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLTERGTTFGYNNLVVDFRSLPIMKQWAKVIYDATHSVQLPGGLGDKSGGMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEIREVASKYYETIPVK,O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.6534087186057245,,s_68966220519be49725459e6c,test
catpreddb_km_km_b0b1fb0dc4c57d,catpred_iteration1_km,km,P36537,P36537,MALKWTTVLLIQLSFYFSSGSCGKVLVWAAEYSLWMNMKTILKELVQRGHEVTVLASSASILFDPNDSSTLKLEVYPTSLTKTEFENIIMQLVKRLSEIQKDTFWLPFSQEQEILWAINDIIRNFCKDVVSNKKLMKKLQESRFDIVFADAYLPCGELLAELFNIPFVYSHSFSPGYSFERHSGGFIFPPSYVPVVMSKLSDQMTFMERVKNMLYVLYFDFWFQIFNMKKWDQFYSEVLGRPTTLSETMRKADIWLMRNSWNFKFPHPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGVVVFSLGSMVSNMTEERANVIATALAKIPQKVLWRFDGNKPDALGLNTRLYKWIPQNDLLGHPKTRAFITHGGANGIYEAIYHGIPMVGIPLFFDQPDNIAHMKAKGAAVRVDFNTMSSTDLLNALKTVINDPSYKENIMKLSRIQHDQPVKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWFQYHSLDVIGFLLACVATVLFIITKCCLFCFWKFARKGKKGKRD,CN(C)CCC=C1c2ccccc2CCc2ccccc21,CN(C)CCC=C1c2ccccc2CCc2ccccc21,CN(C)CCC=C1c2ccccc2CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-2.1249387366083,,s_3f4ea30f4bd9035b5a50f6df,test
catpreddb_km_km_b0bb3b3966b561,catpred_iteration1_km,km,P05708,P05708,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA,OCC1OC(O)CC(O)C1O,OCC1OC(O)CC(O)C1O,OCC1OC(O)CC(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_941b077a82856b376a21076e,test
catpreddb_km_km_b0cadcc1ae0742,catpred_iteration1_km,km,E3VWJ9,E3VWJ9,MNELPRLPFDNPAILGIAPQMRALQKEGPIVRVRTAGEDAWLITRYDEVKALLSDRRLGLSDPKPERAAKSTARITMMALMAGDDYDREATEHPQMRELLVPRFSTRRMRVMKARIEQHVDELLDQLAASVAPVDLHRALSFPLPTMVVCDLLGVPLADRERIGQWARGTFDQSDSLHSVNTFQQVVDYMMELVQRKRTEPGDDILSELIAEKDGTLSDEYIAHLGCAVLLFGYETTIVRIDMGVLLMLRNPAQRALLAENPALAPAAVEEILRLAVGGKGSNALIPRYAHSDITVGETVIRTGDAVMLAIGAANIDGHAFPHADLFDLSREKPKAHMAFGHGTRHCIGRVLARIELTAVFERLFRRLPNLQLAVPEESLRWQEHRITGGFDEIPVTF,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1,CC1(C)C[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_e7f8f7aba8b1dc76c50acbae,test
catpreddb_km_km_b0d6e52baba453,catpred_iteration1_km,km,Q54VI3,Q54VI3,MLNQNLTISQEIAAQPKTQYFTKEDGDALANLLESNPYKEQAVEVKSLLKSERLIESSRVEPEVDWFYCKLGLDSNYFDSTPSIVIARHILSLYAAKMVSHATGAKLEVHLHSKNEGSATFITPSNPGKRDSPAMMIEHAIESHYFGEGYHQDQQLLSPQQVAVAPFPVSPKPPTGTNLPPHGFRLACYRTTGTVSNSSPVHLRLYYLTKPVFPQATNDLSASKNDEILATETDLFKIGDISFIEKSSELTKKIYQEVMNEVVGKQGPVIKHYPYQTNGARLVIAYRRGSTHSYWSAIGELYHFHQMYATHKYVEQFSNGITIYSIYLRPLHPDVDINTKISKIAEQASLVYVLPRTSLTPLFLSHQLSFPEVTYAYVCWKFAYQFLNRYATEYSALAAAIGDDSTKQSMLAQLKTRLSKDTFTEGRVRDAVLQYPELIKILYQDFEKFHFSGSNSNNTQKYDVQHGSEILASIKKTVNNELDSQIFSAILSFNRHLLKTHIRFRDISRGGIRIIRSGNSTQYDHNSSSLFDENYNLANTQQSKNKDIAEGGSKGTILLSADHQSKAEVAFHKYIDGLLDLLLPNHEIVDHFAKPEILFLGPDEGTADFMNWASSHAKDRGAHFWKAFTTGKSLSRGGIPHDLYGMTTRSIHQYVLGTLAKLGRNEADCTKFQTGGPDGDLGSNEIKISKDKTIGIVDGSGVLLDPQGLNRDEIGRLASKRQMARYFDKSKLSPQGFFVDVAENDVKLPNGDIVESGLIFRNNFHLNPLCNADIFVPCGGRPESVQLTNVDKMFTATGESRFPIIVEGANLFFTQKARLMIEEKGAIIFKDASANKGGVTSSSLEVLAALALNDEEFDRHMCVKDNVVPEFYENYIKDVHHTIESNARLEFECIWSEHESTKTPRSILSDLLSNKINSLNDSIQTSSLWTDQSLRRKIISAACPKVLLNLLGVDKIMERVPEPYVKAIFGSYLASRFVYKYGLNSNEFAFYTYMETLKQQ,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0769074321722644,,s_519922da8a366161013bc2c9,test
catpreddb_km_km_b0e844e2d50d86,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CC(C)CCN,CC(C)CCN,CC(C)CCN>>,public_strict_iteration1_fulltrue_msa,,0.658964842664435,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_b0fc71d4aec8dc,catpred_iteration1_km,km,P51555,P51555,MSIQKVHAREILDSRGNPTIEVEITTGKGMFRSCVPSGASTGVHEAVELRDGDKKRYGGKGVLKAVENVNTIIGPALLGKNVLNQAELDEMMIKLDGTNNKGKLGANAILGCSMSICRAAAAEKGLPLYKYLAELTGHKEMTMPVPCFNVINGGAHAGNALAMQEFMICPTGATNFHEALRMAAETYQCLKVVIKAKYGQDATNVGDEGGFAPNVSGAREALDLLVEAIAKAGYTGKIEIAMDCAASEFYNEETKKYDLGKKIPADKKDPSLVKDVDGLIAEYVDYGKHYPIASIEDPFAEDDWAAWNKFTVEHGNFQIVGDDLLVTNPARVQMAMDKNACNSVLIKVNQIGTLTETFKTIKMAQEKGWGVMASHRSGETEDTFIADLVVGLNCKQIKTGAPCRSERLCKYNQLMRIEEELGNIPYAGKNWRNSTA,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0960296393922504,,s_6323b871888386cd68c9066f,test
catpreddb_km_km_b115c55fd2cb0f,catpred_iteration1_km,km,P19217,P19217,MSSSKPSFSDYFGKLGGIPMYKKFIEQFHNVEEFEARPDDLVIVTYPKSGTTWLSEIICMIYNNGDVEKCKEDVIFNRVPYLECSTEHVMKGVKQLNEMASPRIVKSHLPVKLLPVSFWEKNCKIIYLSRNAKDVVVSYYFLILMVTAIPDPDSFQDFVEKFMDGEVPYGSWFEHTKSWWEKSKNPQVLFLFYEDMKENIRKEVMKLLEFLGRKASDELVDKIIKHTSFQEMKNNPSTNYTTLPDEVMNQKVSPFMRKGDVGDWKNHFTVALNEKFDMHYEQQMKGSTLKFRTKI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_f28c949d1503440bae214094,test
catpreddb_km_km_b1465461f10170,catpred_iteration1_km,km,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=C(O)CP(=O)(O)O,O=C(O)CP(=O)(O)O,O=C(O)CP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.2671717284030138,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_km_km_b1552e5d558d7c,catpred_iteration1_km,km,P0AEW6,P0AEW6,MKFPGKRKSKHYFPVNARDPLLQQFQPENETSAAWVVGIDQTLVDIEAKVDDEFIERYGLSAGHSLVIEDDVAEALYQELKQKNLITHQFAGGTIGNTMHNYSVLADDRSVLLGVMCSNIEIGSYAYRYLCNTSSRTDLNYLQGVDGPIGRCFTLIGESGERTFAISPGHMNQLRAESIPEDVIAGASALVLTSYLVRCKPGEPMPEATMKAIEYAKKYNVPVVLTLGTKFVIAENPQWWQQFLKDHVSILAMNEDEAEALTGESDPLLASDKALDWVDLVLCTAGPIGLYMAGFTEDEAKRKTQHPLLPGAIAEFNQYEFSRAMRHKDCQNPLRVYSHIAPYMGGPEKIMNTNGAGDGALAALLHDITANSYHRSNVPNSSKHKFTWLTYSSLAQVCKYANRVSYQVLNQHSPRLTRGLPEREDSLEESYWDR,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3222192947339193,,s_bdaacbb97eeee199b78bca5e,test
catpreddb_km_km_b15de15e2d2199,catpred_iteration1_km,km,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,COc1cccc(C=O)c1,COc1cccc(C=O)c1,COc1cccc(C=O)c1>>,public_strict_iteration1_fulltrue_msa,,0.3222192947339193,,s_1f8beb386de84deb2f180511,test
catpreddb_km_km_b15ec5be36908f,catpred_iteration1_km,km,Q08477,Q08477,MPQLSLSSLGLWPMAASPWLLLLLVGASWLLARILAWTYTFYDNCCRLRCFPQPPKRNWFLGHLGLIHSSEEGLLYTQSLACTFGDMCCWWVGPWHAIVRIFHPTYIKPVLFAPAAIVPKDKVFYSFLKPWLGDGLLLSAGEKWSRHRRMLTPAFHFNILKPYMKIFNESVNIMHAKWQLLASEGSARLDMFEHISLMTLDSLQKCVFSFDSHCQEKPSEYIAAILELSALVTKRHQQILLYIDFLYYLTPDGQRFRRACRLVHDFTDAVIQERRRTLPSQGVDDFLQAKAKSKTLDFIDVLLLSKDEDGKKLSDEDIRAEADTFMFEGHDTTASGLSWVLYHLAKHPEYQERCRQEVQELLKDREPKEIEWDDLAQLPFLTMCIKESLRLHPPVPAVSRCCTQDIVLPDGRVIPKGIICLISVFGTHHNPAVWPDPEVYDPFRFDPKNIKERSPLAFIPFSAGPRNCIGQAFAMAEMKVVLGLTLLRFRVLPDHTEPRRKPELVLRAEGGLWLRVEPLS,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-3.096910013008056,,s_9076f319d13a351f264a0aac,test
catpreddb_km_km_b1740110777d71,catpred_iteration1_km,km,P04035,P04035,MLSRLFRMHGLFVASHPWEVIVGTVTLTICMMSMNMFTGNNKICGWNYECPKFEEDVLSSDIIILTITRCIAILYIYFQFQNLRQLGSKYILGIAGLFTIFSSFVFSTVVIHFLDKELTGLNEALPFFLLLIDLSRASTLAKFALSSNSQDEVRENIARGMAILGPTFTLDALVECLVIGVGTMSGVRQLEIMCCFGCMSVLANYFVFMTFFPACVSLVLELSRESREGRPIWQLSHFARVLEEEENKPNPVTQRVKMIMSLGLVLVHAHSRWIADPSPQNSTADTSKVSLGLDENVSKRIEPSVSLWQFYLSKMISMDIEQVITLSLALLLAVKYIFFEQTETESTLSLKNPITSPVVTQKKVPDNCCRREPMLVRNNQKCDSVEEETGINRERKVEVIKPLVAETDTPNRATFVVGNSSLLDTSSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLMETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_53ca26e9a4eeb6dc55931307,test
catpreddb_km_km_b18b76aff382ab,catpred_iteration1_km,km,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.4050046650503694,,s_6a41f9ca86cba24130c89784,test
catpreddb_km_km_b1a1970e1bfff1,catpred_iteration1_km,km,A0A1I7XNU0,A0A1I7XNU0,MTWTQALWAATMLITVYGRAVLHGDHLVHTKLGVIRGIEQKYGDQRVSAFLGVPYARPPVGTRRFAIPEMIEKWTGEMEANFAAKTCYLTIDTAFPQFPGAEMWNPPNGISEDCLNMNIWVPEVHDGSVLVWIYGGGFFSGSPSLALYDGTVLAAKKRTIVVNINYRLGPFGFLYLGDDSLIPGNMGLLDQQVALQWVHDNIESAGSASATAHLAAPDSHNYFNKIIANSGTIINSWASRTPDTMLELSLRLAKRLNCTSHGTDPLLIHNCLKAIPASTIQSEADIVSGDIGLPMTFAFVPVSADRNFFKGDVFDRLRRRDFKKDVSAILGSVKDEGTYWLPYYMNSNRYGFWFNHTISAEDPQNRALITRWTT,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C,CC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,0.0340929308730808,,s_dc7c2b1f8090a43cd4f852fc,test
catpreddb_km_km_b1aec0df1335fd,catpred_iteration1_km,km,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,O=CCO,O=CCO,O=CCO>>,public_strict_iteration1_fulltrue_msa,,1.089905111439398,,s_132f66001f653d7ed2ddbe90,test
catpreddb_km_km_b1b5f0f5c01ecc,catpred_iteration1_km,km,Q2MJP5,Q2MJP5,MNGTVKVNEVIGRISKHIYGHFQEHLGRGIYDGIWVGKDSEIDHVEGIRTDVLKALQALHIPVLRWPGGCFADEYHWANGVGDLSERKPMVNTHWGGTVESNAFGTHEFMRLCELLECEPYICGNVGSGSVQELAEWIEYITFPKGTPMSDWRIQNGKQEPWELTYVGVGNESWGCGGNMTPEYYADLYKRYQTYVREFAGQRIYKIACGANSNDVNWTKVLMERAAPWMDGLSLHYYTVPGTWEKKGSATDFDEDEWFTTLKKASEMERLVVDHGEIMDRYDPDKRIGMIIDEWGTWYDPEPGTNPGFLYQQNTLRDALVCALHFHIFHRHCLRIHMANIAQTVNVLQAMVLTQDEKMLLTPTYHVFHMFQVHQEEEALEVELNAPSYERRGEKIPQVSVSASRSSDKMHISLCHVNPHEKADVSLAIEGIDAKTKVTGRVLTADRMNAHNTFDDPHSVQPEDFRQFAVKHGELTIDLPPMSVVMLTVDLA,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.021189299069938,,s_0d4aff7c9ccc446f63b8f116,test
catpreddb_km_km_b1b9af9c3f29b8,catpred_iteration1_km,km,Q02928,Q02928,MSVSVLSPSRLLGDVSGILQAASLLILLLLLIKAVQLYLHRQWLLKALQQFPCPPSHWLFGHIQELQQDQELQRIQKWVETFPSACPHWLWGGKVRVQLYDPDYMKVILGRSDPKSHGSYRFLAPWIGYGLLLLNGQTWFQHRRMLTPAFHYDILKPYVGLMADSVRVMLDKWEELLGQDSPLEVFQHVSLMTLDTIMKCAFSHQGSIQVDRNSQSYIQAISDLNNLVFSRVRNAFHQNDTIYSLTSAGRWTHRACQLAHQHTDQVIQLRKAQLQKEGELEKIKRKRHLDFLDILLLAKMENGSILSDKDLRAEVDTFMFEGHDTTASGISWILYALATHPKHQERCREEIHSLLGDGASITWNHLDQMPYTTMCIKEALRLYPPVPGIGRELSTPVTFPDGRSLPKGIMVLLSIYGLHHNPKVWPNPEVFDPFRFAPGSAQHSHAFLPFSGGSRNCIGKQFAMNELKVATALTLLRFELLPDPTRIPIPIARLVLKSKNGIHLRLRRLPNPCEDKDQL,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4948853689705397,,s_e8cf4514befa1a1899f825d0,test
catpreddb_km_km_b1c7c001e848b2,catpred_iteration1_km,km,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,CCN1C(=O)C=CC1=O,CCN1C(=O)C=CC1=O,CCN1C(=O)C=CC1=O>>,public_strict_iteration1_fulltrue_msa,,-3.3010299956639813,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_km_km_b1ce696365ca23,catpred_iteration1_km,km,Q924Z4,Q924Z4,MLQTLYDYFWWERLWLPVNLTWADLEDKDGRVYAKASDLYITLPLALLFLVIRYFFELYVATPLAALLNVKEKTRLRAPPNATLEHFYQTSGKQPKQVEVDLLSRQSGLSGRQVERWFRRRRNQDRPSLLKKFREASWRFTYYLIAFVAGMAVTVDKPWFYDLRKVWEGYPIQSIIPSQYWYYMIELSFYWSLLFSIASDVKRKDFKEQIIHHVATIILLCFSWFANYVRAGTLIMALHDASDYLLESAKMFNYAGWKNTCNNLFIVFAIVFIITRLVIMPFWILHCTMIYPLELYPAFFGYYFFNFMMAVLQMLHIFWAYFILRMAHKFITGKLIEDERSDREETESSEGEETAAGAGAKSRLLANGHPILNNNHPKND,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO>>,public_strict_iteration1_fulltrue_msa,,-2.548455006504028,,s_08d3907945866849831e5a64,test
catpreddb_km_km_b1d3969b0c4888,catpred_iteration1_km,km,Q8BW75,Q8BW75,MSNKSDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDNNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTKSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVIVKTLNHEIYEAKYVISAIPPALGMKIHYSPPLPMLRNQLISRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGEEAPIAYTLDDTKPDGTYAAIMGFILAHKARKLVRLTKEERLRKLCELYAKVLNSQEALQPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVGKIFFAGTETASHWSGYMEGAVEAGERAAREILHAIGKIPEDEIWQPEPESLDVPARPITSTFLERHLPSVPGLLKLFGLTTILSATALGFLAHKRGLFVHF,CN1CC=C(c2ccccc2)C1,CN1CC=C(c2ccccc2)C1,CN1CC=C(c2ccccc2)C1>>,public_strict_iteration1_fulltrue_msa,,-0.6196945308011477,,s_a0b888c002ff8513ae40c263,test
catpreddb_km_km_b1db95ad09b315,catpred_iteration1_km,km,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_km_km_b1de54d02c2cb7,catpred_iteration1_km,km,O66548,O66548,MKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2676062401770316,,s_029fee419a480a1fbf8f2568,test
catpreddb_km_km_b1eab208e7869c,catpred_iteration1_km,km,A2RU49,A2RU49,MSSGNYQQSEALSKPTFSEEQASALVESVFGLKVSKVRPLPSYDDQNFHVYVSKTKDGPTEYVLKISNTKASKNPDLIEVQNHIIMFLKAAGFPTASVCHTKGDNTASLVSVDSGSEIKSYLVRLLTYLPGRPIAELPVSPQLLYEIGKLAAKLDKTLQRFHHPKLSSLHRENFIWNLKNVPLLEKYLYALGQNRNREIVEHVIHLFKEEVMTKLSHFRECINHGDLNDHNILIESSKSASGNAEYQVSGILDFGDMSYGYYVFEVAITIMYMMIESKSPIQVGGHVLAGFESITPLTAVEKGALFLLVCSRFCQSLVMAAYSCQLYPENKDYLMVTAKTGWKHLQQMFDMGQKAVEEIWFETAKSYESGISM,NCC(O)CCC(N)C(=O)O,NCC(O)CCC(N)C(=O)O,NCC(O)CCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3360141881884946,,s_dd249254cd4a1f1e10d048d7,test
catpreddb_km_km_b1f4aa733d5061,catpred_iteration1_km,km,Q91XT9,Q91XT9,MAKRTFSSLEAFLIFLLVMMTAITVALLTLLFVTSGTIENHKDSGNHWVSTTQGPTTTQSSPTTQTPTTQTPDLPPSQNFSGYYIGVGRADCTGQVSDINLMGYGKNGQNAQGLLTRLFSRAFILADPDGSNRMAFVSVELCMISQRLRLEVLKRLQSKYGSLYRRDNVILSATHTHSGPAGFFQYTLYILASEGFSNRTFQYIVSGIVKSIDIAHTNLKPGKVLINKGNVANVQINRSPSSYLQNPPSERARYSSDTDKEMVVLKLVDLNGEDLGLISWFAVHPVSMNNSNHLVNSDNMGYAAYLFEQEKNRGYLPGQGPFVAGFASSNLGDVSPNILGPHCVNTGESCDNDKSTCPSGGPSMCMASGPGQDMFESTHIIGRVIYQKAKELHASASQEVTGPVLTAHQWVNMTDVSVQLNATHTVKTCKAALGYSFAAGTIDGVSGLNITQGTTEGNLFWDTLRDQLLGKPSEEIIECQKPKPILIHTGELTKPHPWQPDIVDIQIVTLGSLAIAAIPGEFTTMSGRRLREAVKKEFALYGMKDMTVVIAGLSNVYTHYITTYEEYQAQRYEAASTIYGPHTLSAYIQLFRALAKAIATDTVANMSSGPEPPFFKNLIGSLIPNIADRAPIGKQFGDVLQPAKPEYRVGEVVEVVFVGANPKNSAENQTHQTFLTVEKYEDSVANWQIMHNDASWETRFYWHKGVLGLSNATIHWHIPDTALPGVYRIRYFGHNRKQELLKPAVILAFEGISSPFEIVTT,CCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCC/C=C/C(O)C(CO)N=C(O)CCCCCCCCCCCCCCC>>,public_strict_iteration1_fulltrue_msa,,0.1105897102992489,,s_77a025ed435bfd24ca12897c,test
catpreddb_km_km_b2219c2c533549,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCCCCN,NCCCCCN,NCCCCCN>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_b223de3268eb60,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.1231050101626543,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_b22f2bb2caa99f,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_b255475c7821c1,catpred_iteration1_km,km,I0DFJ0,I0DFJ0,MSENLQLSAEEMRQLGYQAVDLIIDHMNHLKSKPVSETIDSDILRNKLTESIPENGSDPKELLHFLNRNVFNQITHVDHPHFLAFVPGPNNYVGVVADFLASGFNVFPTAWIAGAGAEQIELTTINWLKSMLGFPDSAEGLFVSGGSMANLTALTVARQAKLNNDIENAVVYFSDQTHFSVDRALKVLGFKHHQICRIETDEHLRISVSALKKQIKEDRTKGKKPFCVIANAGTTNCGAVDSLNELADLCNDEDVWLHADGSYGAPAILSEKGSAMLQGIHRADSLTLDPHKWLFQPYDVGCVLIRNSQYLSKTFRMMPEYIKDSETNVEGEINFGECGIELSRRFRALKVWLSFKVFGVAAFRQAIDHGIMLAEQVEAFLGKAKDWEVVTPAQLGIVTFRYIPSELASTDTINEINKKLVKEITHRGFAMLSTTELKEKVVIRLCSINPRTTTEEMLQIMMKIKALAEEVSISYPCVAE,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_bd6fd032a410f5a74b4b4df3,test
catpreddb_km_km_b25c6df0dc76f4,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-3.522878745280338,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_b2666299064ca7,catpred_iteration1_km,km,B5AMJ8,B5AMJ8,MPEIKCGAAEKVKPAASPEAEKPADIAGNISYHAQYSPHFSPFAFGPEQAFYATAESVRDHLIQRWNETYLHFHKTDPKQTYYLSMEYLQGRALTNAVGNLGITGAYAEAVKKFGYELEALAGQEKDAALGNGGLGRLASCFLDSMATLNLPAWGYGLRYRYGLFKQHIAKEGQEEVAEDWLDKFSPWEIPRHDVVFPVRFFGHVEILPDGSRKLVGGEVLKALAYDVPIPGYKTKNAISLRLWEAKATAEDFNLFQFNDGQYESAAQLHARAQQICAVLYPGDATEEGKLLRLKQQFFLCSASLQDMIARFKERKSDRVSGKWSEFPTKVAVQLNDTHPTLAIPELMRLLMDEEGLGWDEAWDITYRTISYTNHTVLPEALEKWSQIVMRKLLPRHMEIIEEIDKRFKELVISKHKEMEGKIDSMKVLDNSNPQKPVVRMANLCVVSSHTVNGVAELHSNILKQELFADYVSIWPTKFQNKTNGITPRRWLRFCNPELSEIVTKWLKSDQWTSNLDLLTGLRKFADDEKLHAEWAAAKLSCKKRLAKHVLDVTGVTIDPTSLFDIQIKRIHEYKRQLLNILGAVYRYKKLKGMSAEEKQKVTPRTVMIGGKAFATYTNAKRIVKLVNDVGAVVNNDPEVNKYLKVVFIPNYNVSVAEVLIPGSELSQHISTAGMEASGTSNMKFSLNGCVIIGTLDGANVEIREEVGEDNFFLFGAKADEVAGLRKDRENGLFKPDPRFEEAKQFIRSGAFGSYDYEPLLDSLEGNSGFGRGDYFLVGYDFPSYIDAQDRVDAAYKDKKKWTKMSILNTAGSGKFSSDRTIAQYAKEIWDIKASPVV,OCC1OC(OC2C(CO)OC(OCC3OC(OC4C(CO)OC(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OCC3OC(OC4C(CO)OC(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OCC3OC(OC4C(CO)OC(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_69e13a3447203fac161e718e,test
catpreddb_km_km_b27006da261534,catpred_iteration1_km,km,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4436974992327127,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_km_km_b2710deecba152,catpred_iteration1_km,km,Q9UNQ0,Q9UNQ0,MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKSGFLPCRKPVEKEILSNINGIMKPGLNAILGPTGGGKSSLLDVLAARKDPSGLSGDVLINGAPRPANFKCNSGYVVQDDVVMGTLTVRENLQFSAALRLATTMTNHEKNERINRVIQELGLDKVADSKVGTQFIRGVSGGERKRTSIGMELITDPSILFLDEPTTGLDSSTANAVLLLLKRMSKQGRTIIFSIHQPRYSIFKLFDSLTLLASGRLMFHGPAQEALGYFESAGYHCEAYNNPADFFLDIINGDSTAVALNREEDFKATEIIEPSKQDKPLIEKLAEIYVNSSFYKETKAELHQLSGGEKKKKITVFKEISYTTSFCHQLRWVSKRSFKNLLGNPQASIAQIIVTVVLGLVIGAIYFGLKNDSTGIQNRAGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKKYS,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.2138846264138024,,s_30326c2220d9e1ae10af82de,test
catpreddb_km_km_b273f2821e0420,catpred_iteration1_km,km,O54416,O54416,MDLVMLKNSFYEKTARARIQAVVDENSFKEILKPTEIEVSPHLSALDIPGSFDDGVIIGTAAINQTPIHIIAQEGQFMGGAVGEIHGAKIVGLLHKAIQDQSQAVVFFVDSGGVRLHEANAGLIAISEIMRAMLQVRHAGIPIITVIGGTCGAFGGMGISACLSSTIIMTEEGRLALSGPEVIETVKGVEEFDSKDRALVWRVTGGKHRFLLNHAQVLVEDDITDIRDAISAQLNQAAPRLDLEHLLQQQQQLEQQQQRWFGKNDGLQIWHEMGIAHPEQIPMLSAQEVKLLKQG,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_1248ab4ce64841b3effd2e35,test
catpreddb_km_km_b2748143b5168f,catpred_iteration1_km,km,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,O=C[C@H](O)CO,O=C[C@H](O)CO,O=C[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.5902280322290656,,s_132f66001f653d7ed2ddbe90,test
catpreddb_km_km_b2876e1e28c63a,catpred_iteration1_km,km,D3K4J1,D3K4J1,MEKGGKKWIIRGNDKLKVGTENTIRGLLEVMNSNLNVNDERPIIPLGHGDPSPFTCFRTTHIVDDALNTAIQSAKFNSYPPPAGIPTARRSIAEHLSRDLPYKLSTEDVFLTSGCRQAIEIITTVLACPGGNILIPKPGYPHYDACAVFHNLEVRHFDLLPEKAWEVDLDAVEALADENTVAIVIINPGNPCGNVYTYEHLKKVAETAKRLGIPVIADEVYAHLIFGSNPFVPMGVFGSTVPIFTLGSISKRWIVPGLRLGWLVITDPSGFLKDTEIVSLIKQCLNMSTSPACVIQGALPQILENTKEDFFENIISLLCQAIDICYEEIKEIACITLLPRPEGSMFLMVKLNTVLLEDISDDMDFCFKLAKEESVIVLPGAVLGLENWLRITFSIDLASLKDGLQRMKMFCRRHAKQQ,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.7491950422196725,,s_23a07e04da444562badc1284,test
catpreddb_km_km_b2880abe5f4514,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_b29e7da8ac347e,catpred_iteration1_km,km,Q8DK72,Q8DK72,MIIVHLCGGLGNQMFQYAAGLAAAHRIGSEVKFDTHWFDATCLHQGLELRRVFGLELPEPSSKDLRKVLGACVHPAVRRLLAGHFLHGLRPKSLVIQPHFHYWTGFEHLPDNVYLEGYWQSERYFSNIADIIRQQFRFVEPLDPHNAALMDEMQSGVSVSLHIRRGDYFNNPQMRRVHGVDLSEYYPAAVATMIEKTNAERFYVFSDDPQWVLEHLKLPVSYTVVDHNRGAASYRDMQLMSACRHHIIANSTFSWWGAWLNPRPDKVVIAPRHWFNVDVFDTRDLYCPGWIVL,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1942445564366718,,s_746ed7a5cb689ce9f0683f3c,test
catpreddb_km_km_b2a6440f1c4c54,catpred_iteration1_km,km,P33280,P33280,MSPSLVDNHAAAYIAAPSSAKAPMIQKPGNTFGMSSPIESKFLSQPRDLGIVAVGFSGGQCKPGVDAAPSALIESGLLTQLREELGYRLHGDDEVHLYTDLVPKEDPPHRNMKNPRAVSNVTKRIAEQVHSHAKEGRLVLTLGGDHSIAIGTIAGSAKAIKERLGREIAVIWVDAHADINTPETSGSGNIHGMPVSFLTGLASEDKEEFFGWLKPDHLLSVKKLVYIGLRDVDPGEKRILRENGIKAFSMHDIDKHGIGRVMEMALGHIGNDTPIHLSFDVDALDPMWAPSTGTPVRGGLTLREGDFICECVHETGSLVAVDLVEVNPTLAAPNDVGAHETVRAGCSLVRCALGESLL,N=C(N)NCCCC(N)C(=O)O,N=C(N)NCCCC(N)C(=O)O,N=C(N)NCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.1172712956557644,,s_4abbf4d04cfa3f1579bcf551,test
catpreddb_km_km_b2a67156f042d8,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.9355420107730816,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_b2b2c05f902ce6,catpred_iteration1_km,km,B0LLV3,B0LLV3,KAIAPPDVSKCGSADLPPGAEVTNCCPPPATKIIDFKLPAPAKLRVRPPAHAVDKAYRDKFYKAMELMKALPDDDPRSFKQQAAVHCAYCDGAYDQAGFPELELQVHNSWLFFPFHRYYLYFFEKILGKLINDPTFAMPFWNWDSPPGMPLPTIYTDPKSPLYDKFRSAKHQPPTLIDLDYNGTEDNVSKETTINANLKIMYRQMVSNSKNAQLFFGNPYRAGDEPDPGGGSIEGTPHGPVHLWTGDNTQPNFEDMGNFYSAGRDPVFYAHHSNVDRMWSIWKTLGGKRTDLTDSDWLDSGFLFYNENAELVRVKVRDCLETKNLGYVYQDVDIPWLSSKPTPRRAKVALSKIAKKLGVAHAAVASSSKVVAGTEFPISLGSKISTVVKRPQQKKRSKKAKEDEEEILVIEGIEFDRDVAVKFDVFVNDVDDLPSGPDKTEFAGSFVSVPHRHKHKKKINTILRLGLTDLLEEIEAEDDDSVVVTLVPKYGAVKIGGIKIEFAS,Cc1ccc(O)cc1,Cc1ccc(O)cc1,Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_80428e566f7c6111926f938e,test
catpreddb_km_km_b2baacfb541200,catpred_iteration1_km,km,Q9VG94,Q9VG94,MDLYNMSGSPSTRAVMMTAKAVGVEFNSIQVNTFVGEQLEPWFVKINPQHTIPTLVDNLFVIWETRAIVVYLVEQYGKDDSLYPKDPQKQALINQRLYFDMGTLYDGIAKYFFPLLRTGKPGTQENLEKLNAAFDLLNNFLDGQDYVAGNQLSVADIVILATVSTTEMVDFDLKKFPNVDRWYKNAQKVTPGWDENLARIQSAKKFLAENLIEKL,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0899051114393979,,s_f8efbcf9ce7b494b2417020b,test
catpreddb_km_km_b2e73ef819becd,catpred_iteration1_km,km,A9H275,A9H275,MTYTVGRYLADRLAQIGLKHHFAVAGDYNLVLLDQLLLNTDMQQIYCSNELNCGFSAEGYARANGAAAAIVTFSVGALSAFNALGGAYAENLPVILISGAPNANDHGTGHILHHTLGTTDYGYQLEMARHITCAAESIVAAEDAPAKIDHVIRTALREKKPAYLEIACNVAGAPCVRPGGIDALLSPPAPDEASLKAAVDAALAFIEQRGSVTMLVGSRIRAAGAQAQAVALADALGCAVTTMAAAKSFFPEDHPGYRGHYWGEVSSPGAQQAVEGADGVICLAPVFNDYATVGWSAWPKGDNVMLVERHAVTVGGVAYAGIDMRDFLTRLAAHTVRRDATARGGAYVTPQTPAAAPTAPLNNAEMARQIGALLTPRTTLTAETGDSWFNAVRMKLPHGARVELEMQWGHIGWSVPAAFGNALAAPERQHVLMVGDGSFQLTAQEVAQMIRHDLPVIIFLINNHGYTIEVMIHDGPYNNVKNWDYAGLMEVFNAGEGNGLGLRARTGGELAAAIEQARANRNGPTLIECTLDRDDCTQELVTWGKRVAAANARPPRAG,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_7a3156ead428537b19b754b8,test
catpreddb_km_km_b30028e848a6ba,catpred_iteration1_km,km,Q68SL7,Q68SL7,MSVVSAVSFMRPLHMRSPGPRGRRHTLPASEFRSLSPEDAISVFEIEREAFISVSGECPLHLDEVRHFLTLCPELSLGWFEEGRLVAFIIGSLWDQERLTTDALTLHKPHGTTVHIHVLAVHRTFRQQGKGSILMWRYLQYLRCLPYIRRAVLMCEDFLVPFYQKSGFKVQGPSDITVGPLTFIEMLYPVRGHAFMRRNSGC,NCCc1c[nH]c2ccccc12,NCCc1c[nH]c2ccccc12,NCCc1c[nH]c2ccccc12>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_ecc820d6303eca4ddb9ee17a,test
catpreddb_km_km_b3022568e781e6,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,CC1(C)C(C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C>>,public_strict_iteration1_fulltrue_msa,,-3.9746941347352296,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_b304e60c35b9ff,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-3.397940008672037,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_b323aa723d526e,catpred_iteration1_km,km,D4N3A0,D4N3A0,MASFNRFCVSSLLAPNNSPQISNAPRSTAVPSMPTTQKWSITEDLAFISNPSKQHNHQTGYRIFSDEFYLKHENKLKDVRRALREVEETPLEGLVMIDTLQRLGIDYHFQGEIGALLQKQQRISTCDYPEHDLFEVSTRFRLLRQEGHNVPADVFNNFRDKEGRFKSELSRDIRGLMSLYEASQLSIQGEDILDQAADFSSQLLSGWATNLDHHQARLVRNALTHPYHKSLATFMARNFNYDCKGQNGWVNNLQELAKMDLTMVQSMHQKEVLQVSQWWKGRGLANELKLVRNQPLKWYMWPMAALTDPRFSEERVELTKPISFIYIIDDIFDVYGTLEELTLFTDAVNRWELTAVEQLPDYMKICFKALYDITNEIAYKIYKKHGRNPIDSLRRTWASLCNAFLEEAKWFASGNLPKAEEYLKNGIISSGMHVVTVHMFFLLGGCFTEESVNLVDEHAGITSSIATILRLSDDLGSAKDEDQDGYDGSYLECYLKDHKGSSVENAREEVIRMISDAWKRLNEECLFPNPFSATFRKGSLNIARMVPLMYSYDDNHNLPILEEHMKTMLYDSSS,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_0e2e8568a29953235c8ab9bd,test
catpreddb_km_km_b328a3d23608f1,catpred_iteration1_km,km,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_km_km_b331862a36c766,catpred_iteration1_km,km,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.7614393726401687,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_b36461a3dce951,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1,O=C(O)C(=O)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_b366704f031413,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_b38389044ad00b,catpred_iteration1_km,km,A9YZY0,A9YZY0,MQAVKQNTSPITLIQPTAEIGAQVYQLIANCPPLDTNSMYCNLLQSSHFAETAVAAMLDEEVVGFISGYRIPQRPDSLFVWQVAVGEKARGQGLATQMLKAILSRPENQDIKRIETTITPDNRASWALFEGLARKLDTEISSSVMFDKTTHFADQHASEMLVKVGPFKSQKL,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O,NCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4259687322722811,,s_caea43b2a05efdc495d3bf93,test
catpreddb_km_km_b393ed01854677,catpred_iteration1_km,km,P0A725,P0A725,MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFPADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEIPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYNGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYLQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCGHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDDAELPLAFKAPSAVLA,CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O,CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O,CCCCCCCCCCCC(O)CC(=O)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C1NC(C)=O>>,public_strict_iteration1_fulltrue_msa,,-2.9498147274412188,,s_0964b8ab750f4f675886036e,test
catpreddb_km_km_b396db612fc0dd,catpred_iteration1_km,km,Q70G56,Q70G56,MQTKKKPQIGFLGIMQELYDDMLPGITERQEKYAREVIEQLQDVADFHFPKAAKNRQDIEHIVKEFNEKDLDGIMIVMLTYGPATNIVNALRNNKLPIMLANIQPVPTVTEDWDMGDLTYNQGVHGAQDTANAILRMGIKCPIITEEWHSEEFKKFVGDWAKAVQTIKALRNMKIAQFGRMHGMYDILGDDAAFTRKIGPQINQEYIGEVYRYMETATEEEINAVIEENRKNFYIDPNLSEESHRYAARLQIGFKKFLINKGYDGFTAHFDVFKGDGRFKQIPMMAASNLMAEGYGYAAEGDAVTASLVAAGHVLIGDAHFTEMYAMDFKRNSILMSHMGEGNWKIARKDRPIKLIDRELGIGKLDNPPTIVFMAQPGPATLVSLVSLEGERYRLVVSKGEILDTEEAKYIEMPYFHFRPSTGVKACLDGWLTNGGTHHECLNLGDNTRRWKILCNLLDIEYVEV,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.161368002234975,,s_5bb818cef7cbd7d4823f00e0,test
catpreddb_km_km_b3991113a38db7,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,Sc1nc2ccccc2[nH]1,Sc1nc2ccccc2[nH]1,Sc1nc2ccccc2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_b39b002c8a32bc,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,Cc1cc(O)ccc1C[C@H](N)C(=O)O,Cc1cc(O)ccc1C[C@H](N)C(=O)O,Cc1cc(O)ccc1C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.568201724066995,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_b3cd98315a6d63,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=CC(=O)c2c(O)cccc2C1=O,CC1=CC(=O)c2c(O)cccc2C1=O,CC1=CC(=O)c2c(O)cccc2C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_b3dbea86a6d3af,catpred_iteration1_km,km,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,O=C(O)c1ccc(O)cc1,O=C(O)c1ccc(O)cc1,O=C(O)c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2881927709588089,,s_a6bfd646457ffec3f91681c4,test
catpreddb_km_km_b3e226f05399ce,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,CCCCC(=O)C(C)=O,CCCCC(=O)C(C)=O,CCCCC(=O)C(C)=O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_b3e798c487f587,catpred_iteration1_km,km,Q59718,Q59718,MSVIAITGSASGIGAALKELLARAGHTVIGIDRGQADIEADLSTPGGRETAVAAVLDRCGGVLDGLVCCAGVGVTAANSGLVVAVNYFGVSALLDGLAEALSRGQQPAAVIVGSIAATQPGAAELPMVEAMLAGDEARAIELAEQQGQTHLAYAGSKYAVTCLARRNVVDWAGRGVRLNVVAPGAVETPLLQASKADPRYGESTRRFVAPLGRGSEPREVAEAIAFLLGPQASFIHGSVLFVDGGMDALMRAKTF,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C,CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C>>,public_strict_iteration1_fulltrue_msa,,1.7075701760979365,,s_d157ec4a40d8cc628dd60cdd,test
catpreddb_km_km_b3f953fa43b7dd,catpred_iteration1_km,km,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,O=Cc1ccc(C=O)o1,O=Cc1ccc(C=O)o1,O=Cc1ccc(C=O)o1>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_km_km_b426369e24ac79,catpred_iteration1_km,km,B4Y0U1,B4Y0U1,MASLNKHIKIHEQCKVSPSSSSTQLSLPLTFFDYIWLRFHPVERIFFYTLPSSHSHPTFFFENLVPKLKSSLSLTLQHFLPLAGNIVWPSDSPKPFLQFNPNDDGVSLLLAQCDDDDVSFDKILEHNSPQEASLSRSFVPHLESSDSFASIISIQITLFPKNGFSIGISTHHAVLDGKSSTMFIKAWSSICKSLEEETQSLNLEPLLEPFLERELIEDPNDFENSFINTWNRISSHFDKSSVKSIKIMSSMFQPIIKDAVRETFELTREDLEKINKRVFSKWNNIEDGAQEKEQEQPKKLSTFVLTCAYVSVCIAKAIQQSESDKKQKFSIGFPVDCRSRLVPPIPKNYCGNCVSNHIVDTEPYDFTKEDGVVIVAKKIYGKTQEMDKGFLDGIETMMYKYMAMIGEGVKGIGVAGSTRFGVYEIDFGFGRPAKVEITSIDRGLTIGLTESKDLKGGVEIGLVLEKHVMDLFQAIFREGLCFD,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.10790539730952,,s_e2910705b7cf72407b0b94ac,test
catpreddb_km_km_b43bf496ad0d96,catpred_iteration1_km,km,A0A2J9QFK1,A0A2J9QFK1,MAKKLLGIDLGGTSIKFGILTLDGQVQEKWAIETNILEDGKHIVPDIVSSIKHRLGLYNLTKEDFVGIGMGSPGAVDRNLKTVTGAFNLNWAATQEVGTIIEAELGIPFAIDNDANVAALGERWVGAGNNNPDVVFVTLGTGVGGGIIADGNLIHGVAGAGGEIGHIIVEPDTGFECTCGNKGCLETVASATGVVRVARHLAEEYEGISSIKAGIDNGDDVSSKDIFVAAQAGDKFANSVVEKVTFYLGLATANISNILNPNTVVVGGGVSAAGEFLRSHIESYFKLYAFPQVKQSTKIKIAELGNDAGIIGAASLAHQFLES,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.2146701649892329,,s_a668980814b2775a4189bbf4,test
catpreddb_km_km_b4429a50bfc260,catpred_iteration1_km,km,Q9UV63,Q9UV63,MSTPHHQFESKSSTAIRRRLSSSVSSKQRPNIMTTTFASLTPMWAGVAGTLVNNNTQYEIAVTVHDGVYSTDFASVIIPVTPGDTVKNSKDIEAQVLNLIRKFSAEHLCKFLGAGITLALLKECPNLCTRLWLDMDIVPIVFNIKPFHTDSVTRPNIKHRISSTTGSYVPSGSETPTVYVEASHLGDPSHLSPNAAQKLPIPRTLDEQSDSAARKCLMYFGPNNNPRLSIGARNPVTVDAGGKIHLIDDLEEYRMTVGAGTWNAVIKLADELREKKVKIGFFSSTPQGGGVALMRHALIRFLTALDVDVAWYVPNPSPQVFRTTKNNHNILQGVAAPDLRLTQEAKDAFDAWILKNGLRWTAEGGPLAPGGVDVVFIDDPQMPGLIPLIKKVRPEVPIVYRSHIEIRNDLVHVAWSPQEEVWKYLWNNIQLADLFISHPVSKFVPSDVPTEKLALLGAATDWLDGLNKDLDPWDSPFYMGEFRPRGSHLNRGEFRSLCAKEKMHELNWPARDYIVQVARFDPSKGIPNVVDSYYKFRNLLRTRSPDMDESEHPQLLICGHGAVDDPDASIIYDQIMALVNSDPYKEYAHDIVVMRLPPSDELLNAMMANSRIALQLSTREGFEVKVSEALHTGKPVIACRTGGIPLQIQHGKSGYLTTPGEKDAVAGHFYDFYTDEALYRKMSDFARTHVSNEVGTVGNAAAWLYLAVMYSRGEKIKPNGAWINDFFREETGEPYKEGETKLPRTKLDMQG,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.649334858712142,,s_8e77aca779535730bf6822e5,test
catpreddb_km_km_b458c9b68bb2da,catpred_iteration1_km,km,P31213,P31213,MQVQCQQSPVLAGSATLVALGALALYVAKPSGYGKHTESLKPAATRLPARAAWFLQELPSFAVPAGILARQPLSLFGPPGTVLLGLFCLHYFHRTFVYSLLNRGRPYPAILILRGTAFCTGNGVLQGYYLIYCAEYPDGWYTDIRFSLGVFLFILGMGINIHSDYILRQLRKPGEISYRIPQGGLFTYVSGANFLGEIIEWIGYALATWSLPALAFAFFSLCFLGLRAFHHHRFYLKMFEDYPKSRKALIPFIF,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C>>,public_strict_iteration1_fulltrue_msa,,-2.214670164989233,,s_7be15bef7aeb161cc050a294,test
catpreddb_km_km_b45a81b444596e,catpred_iteration1_km,km,Q8H6E0,Q8H6E0,MATEQLNVLKALDVAKTQLYHFKAVVIAGMGFFTDAYDLFCIALVTKLLGRIYYTDPALNEPGHLPANVSAAVNGVALCGTLAGQLFFGWLGDKLGRKSVYGFTLILMVLCSIASGLSFGHEAKGVMGTLCFFRFWLGFGVGGDYPLSATIMSEYANKKTRGTFIAAVFAMQGFGILFGTIVTIIVSSAFRHAFPAPPFYIDAAASIGPEADYVWRIIVMFGTIPAALTYYWRMKMPETARYTALIAGNTKQATSDMSKVLNKEISEEAGQGERATGDTWGLFSRQFMKRHGVHLLATTSTWFLLDVAFYSQNLFQKDIFTKIGWIPPAKTMNALEELYRIARAQALIALCGTVPGYWFTVAFIDIIGRFWIQLMGFTMMTIFMLAIAIPYDYLVKPGNHTGFVVLYGLTFFFANFGPNSTTFIVPAEIFPARLRSTCHGISAATGKAGAIIGAFGFLYASQDQKKPETGYSRGIGMRNALFVLAGTNFLGLLFSLLVPESKGKSLEELSKENVGDDGIDA,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.3820591006851792,,s_d52cf5702b4722e8a51aaab2,test
catpreddb_km_km_b4847e9f42c085,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,O=C(O)CCCO,O=C(O)CCCO,O=C(O)CCCO>>,public_strict_iteration1_fulltrue_msa,,0.8864907251724818,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_b48b71c29f54c5,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.0915149811213505,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_b48e0f25a3f146,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,COc1ccc(N)cc1OC,COc1ccc(N)cc1OC,COc1ccc(N)cc1OC>>,public_strict_iteration1_fulltrue_msa,,-0.1870866433571444,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_b48f851c221049,catpred_iteration1_km,km,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.6993323695497569,,s_006f723d5d8d505a1b6694d0,test
catpreddb_km_km_b4cb01f6f20108,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(=O)C(C)(O)C(=O)O,CC(=O)C(C)(O)C(=O)O,CC(=O)C(C)(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6073030467403343,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_b4db19b35f2cfc,catpred_iteration1_km,km,Q7WT42,Q7WT42,MAKKDEKSHKNAPLIGIDIGGTGIKGGIVDLKKGKLLGERFRVPTPQPATPESVAEAVALVVAELSARPEAPAAGSPVGVTFPGIIQHGVVHSAANVDKSWLNTDIDALLTARLGRPVEVINDADAAGLAEARYGAGAGVKGTVLVITLGTGIGSAFIFDGKLVPNAELGHLEIDGHDAETKASAVARERDGLSWDEYSVLLQRYFSHVEFLFSPELFIVGGGISKRADEYLPNLRLRTPIVPAVLRNEAGIVGAAIEIALQHKLAK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_c93f37d836e08bd4e4249043,test
catpreddb_km_km_b4df7fa748dcdc,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-3.041247245223727,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_b4e3dfd7a95664,catpred_iteration1_km,km,A0A832T5N0,A0A832T5N0,MIIETPSKVILFGEHAVVYGYRAISMAIDLTSTIEIKETQEDEIILNLNDLNKSLGLNLNEIKNINPNNFGDFKYCLCAIKNTLDYLNIEPKTGFKINISSKIPISCGLGSSASITIGTIKAVSGFYNKELKDDEIAKLGYMVEKEIQGKASITDTSTITYKGILEIKNNKFRKIKGEFEEFLKNCKFLIVYAEKRKKKTAELVNEVAKIENKDEIFKEIDKVIDEALKIKNKEDFGKLMTKNHELLKKLNISTPKLDRIVDIGNRFGFGAKLTGAGGGGCVIILVNEEKEKELLKELNKEDVRIFNCRMMN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0718820073061253,,s_5501434741f9bcf0405706e0,test
catpreddb_km_km_b4e80f222ff826,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,-1.491220240870052,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_b4f7de9b996d13,catpred_iteration1_km,km,Q84B23,Q84B23,MIVFTDLDGTLLDERGELGPAREALERLRALGVPVVPVTAKTRKEVEALGLEPPFIVENGGGLYLPRDWPVRAGRPKGGYRVVSLAWPYRKVRARLREAEALAGRPILGYGDLTAEAVARLTGLSREAARRAKAREYDETLVLCPEEVEAVLEALEAVGLEWTHGGRFYHAAKGADKGRAVARLRALWPDPEEARFAVGLGDSLNDLPLFRAVDLAVYVGRGDPPEGVLATPAPGPEGFRYAVERYLLPRLSRRGGSGP,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3536600745171112,,s_f841d20eb248ca1e53558388,test
catpreddb_km_km_b522068bcdc173,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7156774363237273,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_b52976474dfdf4,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.508638306165728,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_b53ea735361caa,catpred_iteration1_km,km,Q9A919,Q9A919,MDVLRTPDERFEGLADWSFAPHYTEVTDADGTALRIHHVDEGPKDQRPILLMHGEPSWAYLYRKVIAELVAKGHRVVAPDLVGFGRSDKPAKRTDYTYERHVAWMSAWLEQNDLKDIVLFCQDWGGLIGLRLVAAFPERFSAVVVSNTGLPIGVGKSEGFEAWLNFSQNTPELPVGFILNGGTARDLSDAERSAYDAPFPDESYKEGARIFPALVPITPEHASVEENKAAWAVLETFDKPFVTAFSDADPITRGGEAMFLARVPGTKNVAHTTLKGGHFVQEDSPVEIAALLDGLVAGLPQA,CCCCCCBr,CCCCCCBr,CCCCCCBr>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_e220e6dd4311615191e3744b,test
catpreddb_km_km_b553477227a3dc,catpred_iteration1_km,km,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=P([O-])([O-])NP(=O)([O-])[O-],O=P([O-])([O-])NP(=O)([O-])[O-],O=P([O-])([O-])NP(=O)([O-])[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.0268721464003013,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_km_km_b56118a080f251,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,C[C@@H](N)C(=O)NCC(=O)O,C[C@@H](N)C(=O)NCC(=O)O,C[C@@H](N)C(=O)NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0087739243075051,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_b56db24895128d,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(O)nc5=O)O[C@@H]4CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(O)nc5=O)O[C@@H]4CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5ccc(O)nc5=O)O[C@@H]4CO)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.2112541000813877,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_b57fec60325231,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CNC(=O)c1ccco1,O=C(O)CNC(=O)c1ccco1,O=C(O)CNC(=O)c1ccco1>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_b5886915598935,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_b59e87352745e4,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,COc1ccc2cc(C(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)c(=O)oc2c1,COc1ccc2cc(C(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)c(=O)oc2c1,COc1ccc2cc(C(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)c(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-1.3027706572402824,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_b5f6e359f709f1,catpred_iteration1_km,km,A0A8B4RA61,A0A8B4RA61,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,CCCCCCCC=O,CCCCCCCC=O,CCCCCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_km_km_b622ff712f245b,catpred_iteration1_km,km,Q27705,Q27705,MLSSSHLPTTIVTPKNVPTLGVLVGGGPAPGINGVIGAVTIEAINNGYRVLGFLEGFQNLILQDDSKIVELTIDSVSRIHFEGGSILKTSRANPTKKQEDLQKVVKQLQKFNVSLLVTIGGDDTAFSSMSVAKAANNEIHVVTLPKTIDNDLPLPYGIPTFGYETAREFGANVVRNLMTDASTASRYFIVVAMGRQAGHLALGIGKSAGSHLTLIPEEFLPTTDSTEPEVTFSRICDMIEASIIKRLYTSKKDHGVIVLAEGLLEYMSTDELKQAFGSSLKYDAHDHIMLAELDFGRLVRDEMRERMNRRGLKIAFTEKNLGYELRCAPPNAFDREYTRDLGNGAVRYLLNGGNGALITVQGVKMVPLSFDDLKDPRTGKTRTRQVDVSSEGFQVAKRYMIRLEKKDFEKEETLKGLAATAKCSVEDFIKQFKYLVQ,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_009bffb5a8febe1432335e9c,test
catpreddb_km_km_b62c5e8436dab6,catpred_iteration1_km,km,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O=C(O)/C=C(/CCCC(=O)O)C(=O)O,O=C(O)/C=C(/CCCC(=O)O)C(=O)O,O=C(O)/C=C(/CCCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_d45e89fa98a913150cf54b5f,test
catpreddb_km_km_b63d33da377f47,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_b66efe1dafd409,catpred_iteration1_km,km,A1XAB3,A1XAB3,ANYKTIGVSAAARVSQCNTTFGNEVFSVMYRAKKAGKSVGVVTTTRVQHASP,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_f729835b1d9dff4f84ec667d,test
catpreddb_km_km_b679fb9aec7ce3,catpred_iteration1_km,km,Q9BKL3,Q9BKL3,MSANNVKPFTVFVEGNIGSGKTTFLEHFRQFEDITLLTEPVEMWRDLKGCNLLELMYKDPEKWAMTFQSYVSLTMLDMHRRPAPTPVKLMERSLFSARYCFVEHIMRNNTLHPAQFAVLDEWFRFIQHNIPIDADLIVYLKTSPSIVYQRIKKRARSEEQCVPLSYIEELHRLHEDWLINRIHAECPAPVLVLDADLDLSQITDEYKRSEHQILRKAVNVVMSSPNKHSPKKPISTTPIKITPHMRIL,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1,N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.3675427078152757,,s_5ad77e9ef5727a1c2da6bd8c,test
catpreddb_km_km_b6a2e54c2226de,catpred_iteration1_km,km,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_132f66001f653d7ed2ddbe90,test
catpreddb_km_km_b6aa45c491f340,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.494850021680094,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_b6ce59f5e3dbbf,catpred_iteration1_km,km,Q9T065,Q9T065,MGLLSKKASCNTHGQDSSYFWGWEEYEKNPYDEIKNPDGIIQMGLAENQLSFDLIESWLAKNPDAANFQREGQSIFRELALFQDYHGLPSFKNAMADFMSENRGNRVSFNPNKLVLTAGATPANETLMFCLADPGDAFLLPTPYYPGFDRDLKWRTGAEIVPIQCKSANGFRITKVALEEAYEQAQKLNLKVKGVLITNPSNPLGTTTTRTELNHLLDFISRKKIHLISDEIYSGTVFTNPGFISVMEVLKDRKLENTDVFDRVHIVYSLSKDLGLPGFRVGVIYSNDDFVVSAATKMSSFGLISSQTQYLLSALLSDKTFTKNYLEENQIRLKNRHKKLVSGLEAAGIECLKSNAGLFCWVDMRHLLKSNTFEAEIELWKKIVYEVKLNISPGSSCHCNEPGWFRVCFANLSEETLKVALDRLKRFVDGPSPTRRSQSEHQRLKNLRKMKVSNWVFRLSFHDREPEER,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_317b799108b027cb5c43f73c,test
catpreddb_km_km_b6e5464568763b,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,N[C@@H](CSCC(=O)O)C(=O)O,N[C@@H](CSCC(=O)O)C(=O)O,N[C@@H](CSCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6003929189581638,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_b718c17ad720b7,catpred_iteration1_km,km,D5LLN7,D5LLN7,MAIETIPNDIVYRSKLPDIPIPKHLPLHSYCLHNKNHSSSKPCIIDGATGDIYTFADVELNARRVASGLNKLGIQQGDVIMLLLPNSPAFAFAFLGASFRGAMTTAANPFFTPAEILKQAKASKAKLIITLACYYDKVKDLSSSSDDVHDIKLMCVDSPPDPSCLHFSELLQADENDMPEVDISPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYYSTDDVVLCVLPLFHIYSLNSVLLCGLRAGAAILMMNKFEIVSLLGLIDKYKVSIAPIVPPIVLAIAKFPDLDKYDLSSIRVLKCGGAPLGKELEDTVRAKFPNVTLGQGYGMTEAGPVLTMSLAFAKQPFEVKPGGCGTVVRNAELKIVDPESGASLPRNQPGEICIRGDQIMKGYLNDPESTRTTIDKEGWLHTGDIGFIDDDDELFIVDRLKELIKYKGFQVAPAELEALLITHPSVSDAAVVPMKDEAAGEVPVAFVVRSNNSQLTEDEVKQFISKQVVFYKRINRVFFIEAIPKSPSGKILRKDLRAKLAAGFPN,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1,O=C(O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.167491087293764,,s_b7052409576ea9e57f9adba3,test
catpreddb_km_km_b71b2a5050cce9,catpred_iteration1_km,km,B6ZKF4,B6ZKF4,MAFKQLFAAISVVLSLSAVQAAVVKEKRAACSNGATVSDASCCAWFDVLDDIQQNLFQGAQCGAEAHESIRLVFHDSIAISPAMEAQGKFGGGGADGSIMIFDDIETAFHPNIGLDEIVNLQKPFVQKHGVTPGDFIAFAGAVALSNCPGAPQMNFFTGRAPATQAAPDGLVPEPFHTVDQIINRVNDAGEFDELELVWMLSAHSVAAVNDVDPTVQGLPFDSTPGIFDSQFFVETQLRGTAFPGSGGNQGEVESPLPGEIRLQSDHTIARDSRTACEWQSFVNNQSKLVSDFQFIFLALTQLGQNPDIMTDCSDVIPISKPAPNNTPGFSFFPAGKTMADVEQACAETPFPSLSTLPGPETSVARIPPPPGA,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC>>,public_strict_iteration1_fulltrue_msa,,-1.5670307091255944,,s_0c97b6c3d817a90f873381b1,test
catpreddb_km_km_b73a9b4d04cf18,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,NN=CSCCC[C@H](N)C(=O)O,NN=CSCCC[C@H](N)C(=O)O,NN=CSCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_b771588cd8bfc4,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(=O)N1CCC[C@H]1C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_955f208818110e17c458234b,test
catpreddb_km_km_b78b9688c2f488,catpred_iteration1_km,km,O32717,O32717,MKILFTFPGQGGQRPGMLAMIPDREAILTQARAVLGDEVDTLDSADALQHTRAVQLCLLIAGVAWARELQRQGVDPQMVSGLSIGAFPAAVIAGALDFASALRLVALRGDLMEQAYPEGYGLTAIMGLTRPRVEALMQGNEVYLANLNAETQFVIAGRDEAMAEVAQLALRAGASKAQRLAVSVPSHCALLDKPAAELAKAFAGASLRRPRCAYLSGSTARVLWDPQRIADDLAMNMARPVHWQEAMVAADERDARLAIEMPPGGVLTCLTRQAGWRGETIALERSGLDVARHLAQRLSD,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C(=O)O)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_5151164ed8a7b454ac411616,test
catpreddb_km_km_b79b43362afa30,catpred_iteration1_km,km,F6IXY6,F6IXY6,MKVIVIGCTHAGTAAVNQILASNPETDVTIYERNDNVSFLSCGIALYLGGEVADPQGLFYSSPEQLAKLGANVHMQHDVTDVDTENHEITVTDLKTGESKKDYYDKLVVTTGSWPVIPPIDGIDSPNVYLCKNWTHAQSLWEAAKPAKRVIVIGGGYIGTELVEAYQKQGKEVTLIDGLPRILNKYLDKGFTDRVEKDFVDHGIKMALNQMVKGFSDDGKEVTVKTDKGSYTADMAILCVGFRPNTSLLKGKVDMNPNGSIKTNDYMQTSDPDIYGAGDSVAVHYNPTKKDAYIPLATNAVRQGTLVGLNIFKPTRKYMGTQSTSGLMLFGKTIVSSGMTLEHAQAEKVPAEAVTFEDNYRPEFMPTTKPVLMQLVYNPETREILGAQFMSEHDVSQSANVISVMIQNHNTIDDLGFVDMFFQPIYDRPFNYLNLLGQAAIAHAAEKVTE,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7471469690201071,,s_ff0e45f2a0a3549e1b2abf1d,test
catpreddb_km_km_b7a159a782baca,catpred_iteration1_km,km,P11032,P11032,MRNASGPRGPSLATLLFLLLIPEGGCERIIGGDTVVPHSRPYMALLKLSSNTICAGALIEKNWVLTAAHCNVGKRSKFILGAHSINKEPEQQILTVKKAFPYPCYDEYTREGDLQLVRLKKKATVNRNVAILHLPKKGDDVKPGTRCRVAGWGRFGNKSAPSETLREVNITVIDRKICNDEKHYNFHPVIGLNMICAGDLRGGKDSCNGDSGSPLLCDGILRGITSFGGEKCGDRRWPGVYTFLSDKHLNWIKKIMKGSV,N=C(N)NCCC[C@H](N=C(O)CN=C(O)OCc1ccccc1)C(=O)SCc1ccccc1,N=C(N)NCCC[C@H](N=C(O)CN=C(O)OCc1ccccc1)C(=O)SCc1ccccc1,N=C(N)NCCC[C@H](N=C(O)CN=C(O)OCc1ccccc1)C(=O)SCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_2717a1dc500e71829f5ad886,test
catpreddb_km_km_b7b0e0f29fcacd,catpred_iteration1_km,km,P0AEW6,P0AEW6,MKFPGKRKSKHYFPVNARDPLLQQFQPENETSAAWVVGIDQTLVDIEAKVDDEFIERYGLSAGHSLVIEDDVAEALYQELKQKNLITHQFAGGTIGNTMHNYSVLADDRSVLLGVMCSNIEIGSYAYRYLCNTSSRTDLNYLQGVDGPIGRCFTLIGESGERTFAISPGHMNQLRAESIPEDVIAGASALVLTSYLVRCKPGEPMPEATMKAIEYAKKYNVPVVLTLGTKFVIAENPQWWQQFLKDHVSILAMNEDEAEALTGESDPLLASDKALDWVDLVLCTAGPIGLYMAGFTEDEAKRKTQHPLLPGAIAEFNQYEFSRAMRHKDCQNPLRVYSHIAPYMGGPEKIMNTNGAGDGALAALLHDITANSYHRSNVPNSSKHKFTWLTYSSLAQVCKYANRVSYQVLNQHSPRLTRGLPEREDSLEESYWDR,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,0.0998775886267373,,s_bdaacbb97eeee199b78bca5e,test
catpreddb_km_km_b7c2ef536bfe69,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0409586076789063,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_b7cdd7459e2c81,catpred_iteration1_km,km,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CC(=O)C(C)(O)C(=O)[O-],CC(=O)C(C)(O)C(=O)[O-],CC(=O)C(C)(O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_7aed539f1fd0d29a964f808a,test
catpreddb_km_km_b7e6b700db99f8,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3ccc(O)nc3=O)O[C@@H]2CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3ccc(O)nc3=O)O[C@@H]2CO)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3ccc(O)nc3=O)O[C@@H]2CO)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9164891021048718,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_b7e89e42eb708c,catpred_iteration1_km,km,Q6M996,Q6M996,MPSAESTPRTLYDKVFQAHIVDEKLDGTILLYIDRHLVHEVTSPQAFEGLENAGRQVRRPDCTLATTDHNVPTTSRKALKDIASFIKEDDSRTQCVTLEENVKKFGITYFGLSDKRQGIVHVIGPEQGFTLPGTTVVCGDSHTSTHGAFGALAFGIGTSEVEHVLATQCLITKRSKNMRVQVDGELAPGVSSKDVILHVIGQIGTAGGTGAVIEFCGSVIRSLSMEARMSICNMSIEAGARAGMVAPDEITFEYLKGRPLAPRYGSEEWNKAVTYWKSLASDPDAKYDIDVFIDGKDIIPTVTWGTSPEDVVPITGVVPDPETFATEGKKAAGRRMIEYMGLVPGTPMEDIEVDKVFIGSCTNSRIEDLRAAAQVVKGKKIAANIKRALIVPGSGLVKDQAEAEGLDKIFQEAGFEWREAGCSMCLGMNPDILSPKERCASTSNRNFEGRQGAQGRTHLMSPVMAAAAAIVGKLADVRKLTDYKSSPHVEAAVIPETTSTAKAHTDERIEEDDVEKDKLADQPQDSSPQVNTSVSKSSAGLPKFTNLKGIAAPMEKANIDTDAIIPKQFLKTIKRTGLGSALFYEMRYNPDGSENPNFVLNREPYRSAKIIVCTGANFGCGSSREHAPWALNDFGVKSVIAPSFADIFFNNSFKNGMLPIAIKDQAALERVHAEAAAGREIEIDLPNQLIKDADGNTLCEFEVEEFRKHCLVNGLDDIGLTMQMEDKIAEYEAKMSQQTPWLDGRAYLKRKGQGGKLVAKAVPVPKTNRGEEKKEPLEW,CC(C)C(O)(CC(=O)O)C(=O)O,CC(C)C(O)(CC(=O)O)C(=O)O,CC(C)C(O)(CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0222763947111522,,s_3253321b5e86d1f4e5424852,test
catpreddb_km_km_b7f6ffb8bc4ede,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0604807473813815,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_b80af74bee2947,catpred_iteration1_km,km,Q84B24,Q84B24,MRLEIPNHTERFGVVRLHEVQRILELDSGRVRDESPAVGLRRLDDADLRDVLEQTAIVVPTRNERLKLLEGVLSGIPHEALILVASNSSPDRFQMERDLLEEFAHLTERPALIFHQKDPALAEALRAGGYPHPIGEDGLVRSGKAEGMILALVFAALSGRRYVGFIDADNYFPGAVWEYVRAYAAGFLMAKTPFAMVRILWRYKPKLTEDEGVVFRRYGRVSERNNRALNQLIGGVSGFETDVVKTANAGEHAMSLGLALRLPLASGYAVEPQELVSLLELYGGVFPLEDEEVLQHGVEIFQIETRNPHLHENKGDEHIRDMLLACLATVYHSKLATEEVRQSVLEELQAAGALAPGEEPPPPVLYPPLSSLDLQAVRKALRGHFSRFRVP,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_c3dd7556d64ce291120a1ce1,test
catpreddb_km_km_b816f634adfe00,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,CNc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+](C)CCC(N)C(=O)O)[C@@H](O)[C@H]1O,CNc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+](C)CCC(N)C(=O)O)[C@@H](O)[C@H]1O,CNc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+](C)CCC(N)C(=O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0073209529227445,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_b825b01b5fcb61,catpred_iteration1_km,km,P29717,P29717,MQLSFILTSSVFILLLEFVKASVISNPFKPNGNLKFKRGGGHNVAWDYDNNVIRGVNLGGWFVLEPYMTPSLFEPFQNGNDQSGVPVDEYHWTQTLGKEAASRILQKHWSTWITEQDFKQISNLGLNFVRIPIGYWAFQLLDNDPYVQGQVQYLEKALGWARKNNIRVWIDLHGAPGSQNGFDNSGLRDSYNFQNGDNTQVTLNVLNTIFKKYGGNEYSDVVIGIELLNEPLGPVLNMDKLKQFFLDGYNSLRQTGSVTPVIIHDAFQVFGYWNNFLTVAEGQWNVVVDHHHYQVFSGGELSRNINDHISVACNWGWDAKKESHWNVAGEWSAALTDCAKWLNGVNRGARYEGAYDNAPYIGSCQPMLDISQWSDEHKTDTRRYIEAQLDAFEYTGGWVFWSWKTENAPEWSFQTLTYNGLFPQPVTDRQFPNQCGFH,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(O)C(O)OC(CO)C4O)C3O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.6989700043360189,,s_68bb7581d0f8ab08e668ed60,test
catpreddb_km_km_b82d1521826f7d,catpred_iteration1_km,km,B2HHT4,B2HHT4,MPREIRLPESSVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVIADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRTLADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIPAGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLVVLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARAEKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAGFARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLASLVLAKRA,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.593459819566045,,s_7c84c2d6fea9905641654dda,test
catpreddb_km_km_b8341269ba2b63,catpred_iteration1_km,km,A0A0D4C3L0,A0A0D4C3L0,MGYEKSGYRESDGIYDSSFPSIPTPRDIDVTTYCIFQQQYGDRVALIDAVTGAKLTYSELRSAIDSVAAGLAQSGVKQGDVVMICMPNSIHWPILLFGSLRIGAVVTTANPVGNVQEIGRQAKDSRTAYLITVPELCGKLASLNIPLVLNDMDSLGNKKQFHGAAFARFSELLKADRKKVPQVRIKEKDTATLLYSSGTTGASKGVILTHLNLVESINQRMVADPRSFQVAEEVQIYGVIIPLFHVMGMMAICMPTLRKGDQMVVFPKFDLAEMLGAVQRFRITGLALVPPILVLLSKSPLVEKYDLSSLQLIGFGAAPAGDLSGVSKRFRGVYLRQGYGMTETASSGTGVPLEDVDYANKHNSCGLLVPNMQAKVVDVLTGKPLPPGKEGELWLRGLNVMKGYLNNEKATAETLDKDGWLHTGDLAKIDERGFVYIVDRLKELIKYKGFQVAPAELESILLSHSDIMDAAVVPFPDEEAGEIPVAFVVRRPGTTLTGNSIMEFVASKVSPYKKIRRVIFVDTIPKLESGKILRKELKSKLLPSSKL,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1,O=C(O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.7242280998350686,,s_a0b0bb48fa1855371fae3dab,test
catpreddb_km_km_b85eba40937f61,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.102407705158788,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_b8892950e2de40,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.0253058652647702,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_b89dcb8db07af9,catpred_iteration1_km,km,O97157,O97157,MDKRMITDAFEEIKWNGWGDTGVCIKYDEARQLPIHTNGKPMKHLLKFMKDDVLKVKGEFKIKPTPGLTKEEAIKRLPPPVVKQPFVDELRQVLSKDQIRLDAYARLTHIFGKNYRDLWRVRRGMIDRPPDAVILPNNHDDCVKIMELAQKHNVVVVPFGGGTNVTGGVEPNPFETRRMVISIDMRRMGRMLHIDTESGTAVFEVGVLGPDIDEQLSRYGFMMGHDPDSYAYSTLGGWIAARGSGAMSNKYGDIENMILAMRVVTPVGVVETPLTSRPCGVDLNAMFVGSEGAFGLVTEAVVKIERLPEVKRYEGWLFPSFEVAFTAFHTCTRKGIHPCTMRLYDEDDTRLSFAASTDSGLVSTFFSKCFKKYIATVKGWNLSKISLVVVGFEGTKAQTNCQRSELVGVFQAFGATCLGTKPGNTWQEKKYDLPYLRDFALAHNFWADVFETSVLYTDAIHCWRAVKKSFAEVMAENGKNAWIGCHTAHQYRFGCCLYFTFIGGQADENDLKIFLQVKKRAMEVMLQHRGNLTHHHGIGYEHVPWMKRYNGEGGLDAIMKFKKALDPKNICNPGKLLPSPPSEKETPKATQARQNREMMFDKMGIPGALQAHL,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO,CCCCCCCCCCCCCCCCO>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_61991ebaceb2f67f3f32d3f9,test
catpreddb_km_km_b8ac51731ab291,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,CC1(C)C(C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C>>,public_strict_iteration1_fulltrue_msa,,-3.9746941347352296,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_b8f5e2eeff9013,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_b8f74a60513436,catpred_iteration1_km,km,P27142,P27142,MNLVLMGLPGAGKGTQAEKIVAAYGIPHISTGDMFRAAMKEGTPLGLQAKQYMDRGDLVPDEVTIGIVRERLSKDDCQNGFLLDGFPRTVAQAEALETMLADIGRKLDYVIHIDVRQDVLMERLTGRRICRNCGATYHLIFHPPAKPGVCDKCGGELYQRADDNEATVANRLEVNMKQMKPLVDFYEQKGYLRNINGEQDMEKVFADIRELLGGLAR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.1191864077192086,,s_bac69ee5fb03134f154123a7,test
catpreddb_km_km_b9018f46142b7e,catpred_iteration1_km,km,O85596,O85596,MIIGVPKEIKNHEYRVGMIPASVRELISHGHQVFVETNAGAGIGFSDDDYIAVGASILPTAAEVFAQADMIVKVKEPQAVERAMLKEGQILFTYLHLAPDFPQTEDLIKSKAVCIAYETVTDNMGRLPLLAPMSEVAGRMSIQAGAQTLEKSHGGRGLLLGGVPGVEPAKVVIVGGGVVGANAARMAVGMRADVTILDRNIDTLRKLDEEFQGRAKVVYSTEDAIEKHVLAADLVIGAVLIPGAAAPKLVTKEHIAKMKPGAAVVDVAIDQGGCFETSHATTHADPTYIVDDVVHYCVANMPGAVARTSTFALNNATLPYIVKLANKGYREALLADHGFLEGLNVIHGKVTCKEVAEAFNLEYVQPETAIAMFN,N,N,N>>,public_strict_iteration1_fulltrue_msa,,2.041392685158225,,s_5c4d41ee42fc307757c45309,test
catpreddb_km_km_b907c8b7172332,catpred_iteration1_km,km,Q9C1V4,Q9C1V4,MASLVAGALCILGLTPAAFARAPVAARATGSLDSFLATETPIALQGVLNNIGPNGADVAGASAGIVVASPSRSDPNYFYSWTRDAALTAKYLVDAFIAGNKDLEQTIQQYISAQAKVQTISNPSGDLSTGGLGEPKFNVNETAFTGPWGRPQRDGPALRATALIAYANYLIDNGEASTADEIIWPIVQNDLSYITQYWNSSTFDLWEEVEGSSFFTTAVQHRALVEGNALATRLNHTCSNCVSQAPQVLCFLQSYWTGSYVLANFGGSGRSGKDVNSILGSIHTFDPAGGCDDSTFQPCSARALANHKVVTDSFRSIYAINSGIAEGSAVAVGRYPEDVYQGGNPWYLATAAAAEQLYDAIYQWKKIGSISITDVSLPFFQDIYPSAAVGTYNSGSTTFNDIISAVQTYGDGYLSIVEKYTPSDGSLTEQFSRTDGTPLSASALTWSYASLLTASARRQSVVPASWGESSASSVPAVCSATSATGPYSTATNTVWPSSGSGSSTTTSSAPCTTPTSVAVTFDEIVSTSYGETIYLAGSIPELGNWSTASAIPLRADAYTNSNPLWYVTVNLPPGTSFEYKFFKNQTDGTIVWEDDPNRSYTVPAYCGQTTAILDDSWQ,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5797835966168101,,s_5f0631374fe680a8b20d9d28,test
catpreddb_km_km_b9179ff21ecdbb,catpred_iteration1_km,km,A4ADB8,A4ADB8,MSNKIKVEKPLVILHGDEMAQIAFERLLEQFVTSRLDINLLEVDLSAEKRFTTNGQVVLDAIDALIEHGVGIKNAGMTVNRSQLDELLAKYPDVKESELDKLATKSPNGAIRKGIGGNITREDIEFQNLTSVRPDWIDRDIEVDTMDSGGLDFSYSELSNATGVAKVMFVGSSGDPVELHRRTLKKGDPWMLANNSLEEVEAWAHRFFQRALDEKRDIYLGLKDTVVPGYDGVMRAAIEAIYERDYKEKVAAAGLKYHYELIDAQAARIVSNPPERALWGVPDNVSGMKLYKLVQQLKHYGLPERKANVSISRMSAGGGDQYGSYNTPAPEDGIIKVVVDGVEKHARMVKANDPILFMSNDRDAIKDWVKQVFKDASINKKEVYFGLKREFVNYDEVYSSIILEIRKELAALDTPPPSFMIMRPSRQLSKMICDPPRWGLYPAQNLDGDIFSDISAALGGSLATASSVIKSKDGTLLYEAPHGTAHDLYLRYLETDGKEAHFNSSALIFAVANALEEMARREENEALADYAQRLKAALIDTVAQGTITGDLKGKTLDPESENVVDMYGFLDAIEANLNAS,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.5450428860427037,,s_9013097f0638dbe6542ed67c,test
catpreddb_km_km_b930314c53cfbb,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,CCCCCCCCC=CCCCCCCCC(=O)O,CCCCCCCCC=CCCCCCCCC(=O)O,CCCCCCCCC=CCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.657577319177794,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_b9363a9995ed8c,catpred_iteration1_km,km,D9TT09,D9TT09,MALKNKVQLITYPDSLGGNLKTLNDVLEKYFSDVFGGVHILPPFPSSGDRGFAPITYSEIEPKFGTWYDIKKMAENFDILLDLMVNHVSRRSIYFQDFLKKGRKSEYADMFITLDKLWKDGKPVKGDIEKMFLRRTLPYSTFKIEETGEEEKVWTTFGKTDPSEQIDLDVNSHLVREFLLEVFKTFSNFGVKIVRLDAVGYVIKKIGTSCFFVEPEIYEFLDWAKGQAASYGIELLLEVHSQFEVQYKLAERGFLIYDFILPFTVLYTLINKSNEMLYHYLKNRPINQFTMLDCHDGIPVKPDLDGLIDTKKAKEVVDICVQRGANLSLIYGDKYKSEDGFDVHQINCTYYSALNCDDDAYLAARAIQFFTPGIPQVYYVGLLAGVNDFEAVKKTKEGREINRHNYGLKEIEESVQKNVVQRLLKLIRFRNEYEAFNGEFFIEDCRKDEIRLTWKKDDKRCSLFIDLKTYKTTIDYINENGEEVKYLV,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.1931245983544616,,s_d7aace9489d7fde5984a141e,test
catpreddb_km_km_b93ebc512726a9,catpred_iteration1_km,km,P0A9C3,P0A9C3,MLNETPALAPDGQPYRLLTLRNNAGMVVTLMDWGATLLSARIPLSDGSVREALLGCASPECYQDQAAFLGASIGRYANRIANSRYTFDGETVTLSPSQGVNQLHGGPEGFDKRRWQIVNQNDRQVLFALSSDDGDQGFPGNLGATVQYRLTDDNRISITYRATVDKPCPVNMTNHVYFNLDGEQSDVRNHKLQILADEYLPVDEGGIPHDGLKSVAGTSFDFRSAKIIASEFLADDDQRKVKGYDHAFLLQAKGDGKKVAAHVWSADEKLQLKVYTTAPALQFYSGNFLGGTPSRGTEPYADWQGLALESEFLPDSPNHPEWPQPDCFLRPGEEYSSLTEYQFIAE,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O,OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.0909217939723863,,s_433175aa591455b5ec2cbfbd,test
catpreddb_km_km_b990df439bf603,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,CC(C)[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,CC(C)[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O,CC(C)[C@H](NCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0152524968535583,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_b9924a083a276f,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,O=CC(=O)c1ccccc1,O=CC(=O)c1ccccc1,O=CC(=O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.2291479883578558,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_b9ed47f2008719,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,Oc1ccccc1O,Oc1ccccc1O,Oc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,1.505149978319906,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_ba113686d70014,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,CC1CNc2[nH]c(=N)nc(O)c2N1,CC1CNc2[nH]c(=N)nc(O)c2N1,CC1CNc2[nH]c(=N)nc(O)c2N1>>,public_strict_iteration1_fulltrue_msa,,-1.2129843661361406,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_ba17f1c4b16c82,catpred_iteration1_km,km,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.3665315444204134,,s_75fd08e1a005c55cbd677978,test
catpreddb_km_km_ba4408688a733c,catpred_iteration1_km,km,B9WNA0,B9WNA0,MKRSVSKVWLNEDTPNDPYPLYAPSPLPPKRPGTIRVWVDGCFDMLHFGHANALRQARSMGDELFVGCHTDEEIIRHKGPPSMRQEERYEALRACKWVDAVIEGYPYVTRVEDMKRFEVDFVVHGDDISVDLNGRNSYQAIIDAGMFKAVRRTECISTTDLVGRMLLCVPSELLSDADKKLLDSEVARKRGPHYLTTSRKIAQFSNKLAPPVGATVVYVDGAFDLFHAGHIRFLQKARALGDYLIVGIHDDQLVRESKGEHFPIMSLNERALGVLSCRYVDDVVFGAPRGVTQEMIKILDIKIVACGTSSETRNCKGAFDVYEVPKSLNLFKVVESGSDLSTDMIVERVVKNHVVLLERQFLKHMKDSEAELRKPDVYRNVREV,NCCOP(=O)(O)O,NCCOP(=O)(O)O,NCCOP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.917573699139228,,s_46cd16ccbdd3cc5f9c1b714a,test
catpreddb_km_km_ba4d2b80246e4a,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)C2=O>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_ba6515c4b9c05e,catpred_iteration1_km,km,Q86M89,Q86M89,MVVEPLTLLALAAVATAKNINVEDAIDLEDITAYGYLAKIGKPLADEIRKAEEAEGASRIVGGQASSLGQFPYQAGLLADFSAGQGVCGGSLVRANRVLTAAHCWFDGQNQAWRFTVVLGSIRLFSGGTRVQTSNVVMHGSWNPSNIRNDVAMIRLNSNVGLSNTIALIALPSGSQLNENFAGENAVASGFGRTSDGAGGGITTNQFLSHVTLPVITNAVCRSSFPLIVQDSNICTSGAGGRSTCQGDSGGPLVVTRSGRPLLIGVTSFGSARGCQVGSPAAFARVTSFMSWINGQL,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_da537361b6d2652c6797bef1,test
catpreddb_km_km_ba93736e4c6918,catpred_iteration1_km,km,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,N=C(O)OP(=O)(O)O,N=C(O)OP(=O)(O)O,N=C(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.0681858617461616,,s_2925763e116557ae8a1c8b26,test
catpreddb_km_km_ba96fc55accb74,catpred_iteration1_km,km,Q8DK72,Q8DK72,MIIVHLCGGLGNQMFQYAAGLAAAHRIGSEVKFDTHWFDATCLHQGLELRRVFGLELPEPSSKDLRKVLGACVHPAVRRLLAGHFLHGLRPKSLVIQPHFHYWTGFEHLPDNVYLEGYWQSERYFSNIADIIRQQFRFVEPLDPHNAALMDEMQSGVSVSLHIRRGDYFNNPQMRRVHGVDLSEYYPAAVATMIEKTNAERFYVFSDDPQWVLEHLKLPVSYTVVDHNRGAASYRDMQLMSACRHHIIANSTFSWWGAWLNPRPDKVVIAPRHWFNVDVFDTRDLYCPGWIVL,COC(=O)c1ccccc1N=C(O)CCC(O)=NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1N=C(C)O,COC(=O)c1ccccc1N=C(O)CCC(O)=NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1N=C(C)O,COC(=O)c1ccccc1N=C(O)CCC(O)=NCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-0.1023729087095585,,s_746ed7a5cb689ce9f0683f3c,test
catpreddb_km_km_ba99794fd3b1ce,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(=O)C=O,CC(=O)C=O,CC(=O)C=O>>,public_strict_iteration1_fulltrue_msa,,0.6434526764861874,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_bab1be66326f68,catpred_iteration1_km,km,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.0895054117919751,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_km_km_babf9cb3a343b3,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CC(C)=O,CC(C)=O,CC(C)=O>>,public_strict_iteration1_fulltrue_msa,,-4.031517051446065,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_bad5511a0cdc54,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.0052430554123718,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_bae7ac379b4eca,catpred_iteration1_km,km,Q68CP4,Q68CP4,MTGARASAAEQRRAGRSGQARAAERAAGMSGAGRALAALLLAASVLSAALLAPGGSSGRDAQAAPPRDLDKKRHAELKMDQALLLIHNELLWTNLTVYWKSECCYHCLFQVLVNVPQSPKAGKPSAAAASVSTQHGSILQLNDTLEEKEVCRLEYRFGEFGNYSLLVKNIHNGVSEIACDLAVNEDPVDSNLPVSIAFLIGLAVIIVISFLRLLLSLDDFNNWISKAISSRETDRLINSELGSPSRTDPLDGDVQPATWRLSALPPRLRSVDTFRGIALILMVFVNYGGGKYWYFKHASWNGLTVADLVFPWFVFIMGSSIFLSMTSILQRGCSKFRLLGKIAWRSFLLICIGIIIVNPNYCLGPLSWDKVRIPGVLQRLGVTYFVVAVLELLFAKPVPEHCASERSCLSLRDITSSWPQWLLILVLEGLWLGLTFLLPVPGCPTGYLGPGGIGDFGKYPNCTGGAAGYIDRLLLGDDHLYQHPSSAVLYHTEVAYDPEGILGTINSIVMAFLGVQAGKILLYYKARTKDILIRFTAWCCILGLISVALTKVSENEGFIPVNKNLWSLSYVTTLSSFAFFILLVLYPVVDVKGLWTGTPFFYPGMNSILVYVGHEVFENYFPFQWKLKDNQSHKEHLTQNIVATALWVLIAYILYRKKIFWKI,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9348331157524967,,s_6f365b9098ed024004ad8897,test
catpreddb_km_km_baec02c681fd95,catpred_iteration1_km,km,Q0VC74,Q0VC74,MWCHRLSHLQSRLQDLLRGRVTRWALQQSNFKSLFPLAIYWHHTASKSLNCVWQQHEDHFELQYANNVMRFDYVWLRDHCRSASCYNSKTHQRSLDTASVDLCIQPQTIHLDETTLFFTWPDGHVTRYDLDWLMKNSYEGQKQKVIQPRILWNAEIYQQAQVPAVDFQTFLETKEGLKNFLQNFLLYGIAFVENVPPTQKHTEKLAERISLIRETIYGRMWFFTSDFSRGDTAYTKLALDRHTDTTYFQEPCGIQVFHCLKHEGTGGRTLLVDGFYAAEQVLQKAPEEFELLSKVPLKHEYIENVGECQNHMIGVGPVLNIYPWNKELYLIRYNNYDRAVINTVPYDVVHRWYTAHRTLTRELRRPENEFWVKLKPGKVLFIDNWRVLHGRESFTGYRQLCGCYLTRDDVLNTARLLGLQA,C[N+](C)(C)CCCC[C@H](N)C(=O)O,C[N+](C)(C)CCCC[C@H](N)C(=O)O,C[N+](C)(C)CCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_7f4595ed35d4ed8d48cc8426,test
catpreddb_km_km_bb081bf5da9e07,catpred_iteration1_km,km,Q9SRQ2,Q9SRQ2,MDHQVSLPQSTTTGLSFKVHRQQRELVTPAKPTPRELKPLSDIDDQQGLRFQIPVIFFYRPNLSSDLDPVQVIKKALADALVYYYPFAGRLRELSNRKLAVDCTGEGVLFIEAEADVALAELEEADALLPPFPFLEELLFDVEGSSDVLNTPLLLVQVTRLKCCGFIFALRFNHTMTDGAGLSLFLKSLCELACGLHAPSVPPVWNRHLLTVSASEARVTHTHREYDDQVGIDVVATGHPLVSRSFFFRAEEISAIRKLLPPDLHNTSFEALSSFLWRCRTIALNPDPNTEMRLTCIINSRSKLRNPPLEPGYYGNVFVIPAAIATARDLIEKPLEFALRLIQETKSSVTEDYVRSVTALMATRGRPMFVASGNYIISDLRHFDLGKIDFGPWGKPVYGGTAKAGIALFPGVSFYVPFKNKKGETGTVVAISLPVRAMETFVAELNGVLNVSKG,CCC=CCCO,CCC=CCCO,CCC=CCCO>>,public_strict_iteration1_fulltrue_msa,,-0.7825160557860937,,s_923e9138be0b9931b031104a,test
catpreddb_km_km_bb147e05f5904d,catpred_iteration1_km,km,Q9SJQ9,Q9SJQ9,MSSFTSKFADELIANAAYIGTPGKGILAADESTGTIGKRLASINVENVESNRRALRELLFTTPGALPCLSGVILFEETLYQKSSDGTPFVDMLKSAGVLPGIKVDKGTVELAGTNGETTTQGLDGLGDRCKKYYEAGARFAKWRAVLKIGVNEPSQLAIHENAYGLARYAVICQENGLVPIVEPEILVDGSHDIQKCAAVTERVLAACYKALSDHHVLLEGTLLKPNMVTPGSESAKVAPEVIAEHTVRALQRTVPAAVPAIVFLSGGQSEEEATRNLNAMNQLKTKKPWSLSFSFGRALQQSTLKTWGGKEENVKKAQEAFLVRCKANSEATLGAYKGDAKLGEGAAESLHVKDYKY,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.4430283238465815,,s_9e7368d8dbd96024f38584f7,test
catpreddb_km_km_bb1e4718d35357,catpred_iteration1_km,km,A0A533I0Q4,A0A533I0Q4,MARHLITSALPYINGIKHLGNLVGSQLPADLYARYLRGRGHEVMFICATDEHGTPAELAAAKTGEPVDVYCARMHAEQSKLAAGFGLSFDHYGRSSSAQNRQLTQHFAGKLDQEGLIREVSEKQVYSIDDGRFLPDRYIEGTCPNCGYEKARGDQCENCTKQLDPTDLINPHSTISGSTNLEVRETKHLYLRQSAMKDQIAAWIDSKTDWPVLTTSIAKKWLFDGDGLQDRGITRDLDWGVPVQKGDQPWPGMEGKVFYVWFDAPIEYIGATAEWADANGGDWERWWRTDKGAGDVTYTQFMGKDNVPFHTLGFPTTIMGSGEPWKLVDYIKSFNYLTYDGGQFSTSQGRGVFMDDALSLLPADYWRWWLLSHAPESGDSEFTWENFQQSVNKDLADVLGNFVSRITKFCRSKFGETVPEGGEWGEAERELAAALTARIRAYEAFMDRMEVRKAAGELRAIWVLGNEYLQSAAPWATFKEDPEKAAMQVRLGLNLIALYASLSAPFITFTAATLREAMNSSDTWPDDVDAALTALPPGHAFTVPDNLFAKITDEQREEWTERFKGTRA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0604807473813814,,s_9dbf85e386cda9fc02f76311,test
catpreddb_km_km_bb2991ebf1bde5,catpred_iteration1_km,km,O50215,O50215,MTLKKDMAVDIDSTNFRQAVALFATGIAVLSAETEEGDVHGMTVNSFTSISLDPPTVMVSLKSGRMHELLTQGGRFGVSLLGESQKVFSAFFSKRAMDDTPPPAFTIQAGLPTLQGAMAWFECEVESTVQVHDHTLFIARVSACGTPEANTPQPLLFFASRYHGNPLPLN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)CO)c2cc1C>>,public_strict_iteration1_fulltrue_msa,,-1.8282957030980715,,s_b28907c2bd04d1cb9aa313a2,test
catpreddb_km_km_bb2be8902533c7,catpred_iteration1_km,km,Q79EM8,Q79EM8,MTSPAVTSADITGLVGIVPTPSKPGSEAPDAVDTVDLDETARMVELIVASGVDVLLTNGTFGEVATLTYEELLAFNDTVIRTVANRIPVFCGASTLNTRDTIARSLALMGLGANGLFVGRPMWLPLDDEQLVSYYAAVCDAVPAAAVVVYDNTGVFKGKISSAAYAALAEIPQIVASKHLGVLSGSDAYASDLAAVKGRFPLLPTADNWLPSLEAFPGEVPAAWSGDVACGPEPVMALRRAIAEGLWDDARAVHEDIAWATEPLFPGGDISKFMPYSIQIDRAEFEAAGYIVPGPSRHPYGTAPAAYLEGGAEVGRRWAGIRQKYVATLAEP,O=C(O)C(=O)/C=C/c1ccccc1C(=O)O,O=C(O)C(=O)/C=C/c1ccccc1C(=O)O,O=C(O)C(=O)/C=C/c1ccccc1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_6832e37c9ed8776fff37c95e,test
catpreddb_km_km_bb327cbd92313d,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Nc1ccc(C(=O)[O-])cc1,Nc1ccc(C(=O)[O-])cc1,Nc1ccc(C(=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-2.5850266520291822,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_bb375f658d7ae1,catpred_iteration1_km,km,P9WNG5,P9WNG5,MIALLAPGQGSQTEGMLSPWLQLPGAADQIAAWSKAADLDLARLGTTASTEEITDTAVAQPLIVAATLLAHQELARRCVLAGKDVIVAGHSVGEIAAYAIAGVIAADDAVALAATRGAEMAKACATEPTGMSAVLGGDETEVLSRLEQLDLVPANRNAAGQIVAAGRLTALEKLAEDPPAKARVRALGVAGAFHTEFMAPALDGFAAAAANIATADPTATLLSNRDGKPVTSAAAAMDTLVSQLTQPVRWDLCTATLREHTVTAIVEFPPAGTLSGIAKRELRGVPARAVKSPADLDELANL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7772835288524167,,s_b7aac82d5d857f523cfbd77f,test
catpreddb_km_km_bb39b4935ee2ab,catpred_iteration1_km,km,Q9UV63,Q9UV63,MSTPHHQFESKSSTAIRRRLSSSVSSKQRPNIMTTTFASLTPMWAGVAGTLVNNNTQYEIAVTVHDGVYSTDFASVIIPVTPGDTVKNSKDIEAQVLNLIRKFSAEHLCKFLGAGITLALLKECPNLCTRLWLDMDIVPIVFNIKPFHTDSVTRPNIKHRISSTTGSYVPSGSETPTVYVEASHLGDPSHLSPNAAQKLPIPRTLDEQSDSAARKCLMYFGPNNNPRLSIGARNPVTVDAGGKIHLIDDLEEYRMTVGAGTWNAVIKLADELREKKVKIGFFSSTPQGGGVALMRHALIRFLTALDVDVAWYVPNPSPQVFRTTKNNHNILQGVAAPDLRLTQEAKDAFDAWILKNGLRWTAEGGPLAPGGVDVVFIDDPQMPGLIPLIKKVRPEVPIVYRSHIEIRNDLVHVAWSPQEEVWKYLWNNIQLADLFISHPVSKFVPSDVPTEKLALLGAATDWLDGLNKDLDPWDSPFYMGEFRPRGSHLNRGEFRSLCAKEKMHELNWPARDYIVQVARFDPSKGIPNVVDSYYKFRNLLRTRSPDMDESEHPQLLICGHGAVDDPDASIIYDQIMALVNSDPYKEYAHDIVVMRLPPSDELLNAMMANSRIALQLSTREGFEVKVSEALHTGKPVIACRTGGIPLQIQHGKSGYLTTPGEKDAVAGHFYDFYTDEALYRKMSDFARTHVSNEVGTVGNAAAWLYLAVMYSRGEKIKPNGAWINDFFREETGEPYKEGETKLPRTKLDMQG,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.7323937598229685,,s_8e77aca779535730bf6822e5,test
catpreddb_km_km_bb4a53dcd32625,catpred_iteration1_km,km,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.1249387366083,,s_d45caf713d065ae4220c2800,test
catpreddb_km_km_bb4ff3835ada95,catpred_iteration1_km,km,A3DEX4,A3DEX4,MPKKLKKIIKLCSMVFVIGILTLLLPEKGAADYPIFSQRFTADPAAVVYNGRLYIYCSHDSDATPGQSTYNIPDITCISTDDLKNWTDHGEVFNAKRDSRWASVSWAPSIVYRNNKFYLYYGNGGNGIGVAVSDSPTGPFKDPLPGPLVSWNTPGVQPAQNMWLFDPGVFVDDDGQAYMYFGGNGQNNIRVIKLGNDMISTVGSAMTMSAPRFFEAAYMHKYNGKYYFSYASDFSQGASKIEYMMSDKPTTGFQYKGVILPQPPDNYSNNNHHAIVEYKGNWYVVYHNRTVAKQRGLDPVYQRNVCIDQMFYNADGTIKQVVPTVDGLKQLKYVDPYTKNLAVTMHKESGIETEECSEGGRNVAFIENGDWIQVKGVDFGNVGPTSFEARVASATNGGNIEIRLDSPTGTLIGTCKVEGTGDWQKWVTKTCSVSKVTGVHDLFFRFTGGSGYLFNFSWWKFNSDATPTPTPPPQPSTVPVTERSAFSKIEVEDFNDIKSSTIQKIGTPNGGSGIGYIENGDWLAYKNIDFGNGATTFKALVASTLSPNIELRLDSPTGTLIGTLKVAATGGFNAYEEQSCNISKVTGKHDLYLVFSGAVNIDWFTFGGSSGIIKRGDTNSDGKINSTDVTALKRHLLRVTQLTGDNLANADVNGDGNVNSTDLLLLKRYILGEIENFPI,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.02237265858991,,s_55fc837940c28ac01a3c5307,test
catpreddb_km_km_bb5af056669339,catpred_iteration1_km,km,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=c1cc[nH]c(=O)[nH]1,O=c1cc[nH]c(=O)[nH]1,O=c1cc[nH]c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.4996870826184038,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_km_km_bb5bd90a3e4d44,catpred_iteration1_km,km,A0A1S5R263,A0A1S5R263,MADTFTQRYALVTGANKGIGLEICRQLASKGIVVILASRDEKRGLEARERLLKESRSISDGDVVFHQLDVVDPASVVVVADFIKTKFGRLDILVNNAGVGGVEIEGDISVFQEYAEANLNIIAAKGAQAHPFHPKTNGKMIETLKDAKECIETNYYGTKRVTEALIPLLQKSDSPTIVNVSSALSTLLLQPNEWAKGVFSSEDSSLNEEKVEEVLHEFHKDFIDGKLQQNNWPPNFAAYKVSKEAVNAYTRIIARKYPSFCINSVCPGFVRTDICYSLGQLSEAEGAEAPVKLALLPRGGPSGSFFFREEALSLY,CC(C)[C@@H]1CC[C@@H](C)CC1=O,CC(C)[C@@H]1CC[C@@H](C)CC1=O,CC(C)[C@@H]1CC[C@@H](C)CC1=O>>,public_strict_iteration1_fulltrue_msa,,-0.3448615651886179,,s_2b36d9cf1f15751f8b1cf0b8,test
catpreddb_km_km_bb75114a60d9d8,catpred_iteration1_km,km,Q9NY33,Q9NY33,MADTQYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQTSPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSNMGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMFSLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFKEVDGEGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYAPILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQDKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQLLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHELLGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTIASSYEECRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDARVRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPPECFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSERFPEDGPELEEILTQLATADARFWKGPSEAPSGQA,C[C@H](N)C(O)=N[C@@H](C)C(O)=Nc1ccc2ccccc2c1,C[C@H](N)C(O)=N[C@@H](C)C(O)=Nc1ccc2ccccc2c1,C[C@H](N)C(O)=N[C@@H](C)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.5243288116755703,,s_7dedd52b4f229d3044bbbe67,test
catpreddb_km_km_bbbbc98f71723d,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CC(=O)OCC[N+](C)(C)C,CC(=O)OCC[N+](C)(C)C,CC(=O)OCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_bbcfcd790d9169,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-3.193820026016113,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_bbf6181b535ad9,catpred_iteration1_km,km,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.2676062401770315,,s_2bf532d075628659b9957308,test
catpreddb_km_km_bbff26eb81d442,catpred_iteration1_km,km,A0A0H3PBA4,A0A0H3PBA4,MNRRNFLKFNALTLASMGVAYANPMHDMHSMHKNHSINHDLDTSFINFAPKNLKLLDPKQFPQGEILKALPLLKNESKEKNIFRATIEIKENHIELIKGKKTLFYTYNGLVPAPKIEVFEGDKLEILVKNKLKEATTIHWHGVPVPPDQDGSPHDPILAGEERIYRFEIPQDSAGTYWYHPHPHYTTSKQVFMGLAGAFVIKAKKDALSHLKERDLMISDLRLDENAQIPNNNLNDWLNGREGEFVLINGQFKPKIKLATNERIRIYNATAARYLNLRIQGAKFILVGTDGGLIEKAIYKEEFFLSPASRVEVLIDAPKDGEFRLESAYYDRDKMMVKEEPNTLFLANINLKKENVELPKNLKIFKPSEEPKEFKEIIMSEDHMQMHGMMGKSESELKIALASMFLINGKSYDLKRIDLSSKLGVVEDWIVINKSHMDHPFHIHGTQFELISSKLNGKVQKAEFRALRDTINVRPNEELRLRMKQDFKGLRMYHCHILEHEDLGMMGNLEVKE,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_156ab3956782e3458257c298,test
catpreddb_km_km_bc156f02b1ade3,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCc1ccncc1,NCc1ccncc1,NCc1ccncc1>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_bc2cbbe8190fde,catpred_iteration1_km,km,Q9S762,Q9S762,MSLLLPTNLQQYPSSSSFPSSTPILSPPPSTAFSVIVPRRRCLRLVTSCVSTVQSSVATNGSSPAPAPAAVVVERDQIRLGLPSKGRMAADAIDLLKDCQLFVKQVNPRQYVAQIPQLPNTEVWFQRPKDIVRKLLSGDLDLGIVGLDTLSEYGQENEDLIIVHEALNFGDCHLSIAIPNYGIFENINSLKELAQMPQWSEERPLRLATGFTYLGPKFMKENGIKHVVFSTADGALEAAPAMGIADAILDLVSSGITLKENNLKEIEGGVVLESQAALVASRRALNERKGALNTVHEILERLEAHLKADGQFTVVANMRGNSAQEVAERVLSQPSLSGLQGPTISPVYCTQNGKVSVDYYAIVICVPKKALYDSVKQLRAAGGSGVLVSPLTYIFDEDTPRWGQLLRNLGI,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.8637706285142782,,s_44f804b8834e7e7e1f692098,test
catpreddb_km_km_bc6fe78db65225,catpred_iteration1_km,km,C6KT09,C6KT09,MICVKNILKRYKNSPLNELRNNRKYYEGSFVKSIKFSTSNYGSNEKKPNDIEKNKNVSINLNEGNILQSEIYDTVVIGGGVTGTALFFLLSKFTNLKKLAIIERRDNFALVASHGKNNSQTIHCGDIETNYSFEKAKFIKRYADMLRNYLTNIPKEKRENISSVTQKMVLGVGEKECQFLEERYPVFRQLFNSMKLYNKDDIHEVEPRVALKDSHTLREEQLSALYMPPELTTCDYQKLSESFIESARTVPNKTISINLLTEVINIEEVNDSLYKIHTNKGIINSRFVVVCACGHSLMIAQKMNYGLEYSCMPVAGSFYFTDNILKGKVYTIQNPALPFAAVHGDPDIIEKGKTRFGPTAIPLPLLERDNIKTLLDFLKVWNPDLSLFQVYYNLFKDMTMLKYVARNVLFEIPVLNKYLFLKDVKKIIPSLTIKDLTYCVGYGGVRPQLINKKSKKLILGEGKIDPGKNIIFNITPSPGATTCLGNGEFDMNTICERLNAKINKNDVKKYLYEGEYPVNYL,CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O,CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O,CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O>>,public_strict_iteration1_fulltrue_msa,,-2.207608310501746,,s_de66c8a48e5fb2f983bdf6f3,test
catpreddb_km_km_bc721eaa774268,catpred_iteration1_km,km,Q9S762,Q9S762,MSLLLPTNLQQYPSSSSFPSSTPILSPPPSTAFSVIVPRRRCLRLVTSCVSTVQSSVATNGSSPAPAPAAVVVERDQIRLGLPSKGRMAADAIDLLKDCQLFVKQVNPRQYVAQIPQLPNTEVWFQRPKDIVRKLLSGDLDLGIVGLDTLSEYGQENEDLIIVHEALNFGDCHLSIAIPNYGIFENINSLKELAQMPQWSEERPLRLATGFTYLGPKFMKENGIKHVVFSTADGALEAAPAMGIADAILDLVSSGITLKENNLKEIEGGVVLESQAALVASRRALNERKGALNTVHEILERLEAHLKADGQFTVVANMRGNSAQEVAERVLSQPSLSGLQGPTISPVYCTQNGKVSVDYYAIVICVPKKALYDSVKQLRAAGGSGVLVSPLTYIFDEDTPRWGQLLRNLGI,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.8637706285142782,,s_44f804b8834e7e7e1f692098,test
catpreddb_km_km_bc7f9970385ca5,catpred_iteration1_km,km,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,CC(N)C(=O)N1CCCC1C(=O)O,CC(N)C(=O)N1CCCC1C(=O)O,CC(N)C(=O)N1CCCC1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_668310886d09794f507cf2a6,test
catpreddb_km_km_bc81936a788ade,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.3263545120719484,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_bc89e8aa6c981a,catpred_iteration1_km,km,O14936,O14936,MADDDVLFEDVYELCEVIGKGPFSVVRRCINRETGQQFAVKIVDVAKFTSSPGLSTEDLKREASICHMLKHPHIVELLETYSSDGMLYMVFEFMDGADLCFEIVKRADAGFVYSEAVASHYMRQILEALRYCHDNNIIHRDVKPHCVLLASKENSAPVKLGGFGVAIQLGESGLVAGGRVGTPHFMAPEVVKREPYGKPVDVWGCGVILFILLSGCLPFYGTKERLFEGIIKGKYKMNPRQWSHISESAKDLVRRMLMLDPAERITVYEALNHPWLKERDRYAYKIHLPETVEQLRKFNARRKLKGAVLAAVSSHKFNSFYGDPPEELPDFSEDPTSSGLLAAERAVSQVLDSLEEIHALTDCSEKDLDFLHSVFQDQHLHTLLDLYDKINTKSSPQIRNPPSDAVQRAKEVLEEISCYPENNDAKELKRILTQPHFMALLQTHDVVAHEVYSDEALRVTPPPTSPYLNGDSPESANGDMDMENVTRVRLVQFQKNTDEPMGITLKMNELNHCIVARIMHGGMIHRQGTLHVGDEIREINGISVANQTVEQLQKMLREMRGSITFKIVPSYRTQSSSCERDSPSTSRQSPANGHSSTNNSVSDLPSTTQPKGRQIYVRAQFEYDPAKDDLIPCKEAGIRFRVGDIIQIISKDDHNWWQGKLENSKNGTAGLIPSPELQEWRVACIAMEKTKQEQQASCTWFGKKKKQYKDKYLAKHNAVFDQLDLVTYEEVVKLPAFKRKTLVLLGAHGVGRRHIKNTLITKHPDRFAYPIPHTTRPPKKDEENGKNYYFVSHDQMMQDISNNEYLEYGSHEDAMYGTKLETIRKIHEQGLIAILDVEPQALKVLRTAEFAPFVVFIAAPTITPGLNEDESLQRLQKESDILQRTYAHYFDLTIINNEIDETIRHLEEAVELVCTAPQWVPVSWVY,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1875048937245936,,s_3e12dee9f2e5002005e6b3d5,test
catpreddb_km_km_bcc9e6b5f652a6,catpred_iteration1_km,km,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.165312372440436,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_km_km_bcf16dbe7527a9,catpred_iteration1_km,km,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_7339ebca9bb234fe98b49268,test
catpreddb_km_km_bcf80ec32971e7,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-],C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-],C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.2441251443275085,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_bd0ad359f010bb,catpred_iteration1_km,km,A0A2J9QFK1,A0A2J9QFK1,MAKKLLGIDLGGTSIKFGILTLDGQVQEKWAIETNILEDGKHIVPDIVSSIKHRLGLYNLTKEDFVGIGMGSPGAVDRNLKTVTGAFNLNWAATQEVGTIIEAELGIPFAIDNDANVAALGERWVGAGNNNPDVVFVTLGTGVGGGIIADGNLIHGVAGAGGEIGHIIVEPDTGFECTCGNKGCLETVASATGVVRVARHLAEEYEGISSIKAGIDNGDDVSSKDIFVAAQAGDKFANSVVEKVTFYLGLATANISNILNPNTVVVGGGVSAAGEFLRSHIESYFKLYAFPQVKQSTKIKIAELGNDAGIIGAASLAHQFLES,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2146701649892329,,s_a668980814b2775a4189bbf4,test
catpreddb_km_km_bd294c338c137d,catpred_iteration1_km,km,Q8N4J0,Q8N4J0,MQRRRRPPPPTSRLPEGCGGGGGGSEEVEVQFSAGRWGSAAAVSAAAAAATRSTEEEEERLEREHFWKIINAFRYYGTSMHERVNRTERQFRSLPANQQKLLPQFLLHLDKIRKCIDHNQEILLTIVNDCIHMFENKEYGEDGNGKIMPASTFDMDKLKSTLKQFVRDWSETGKAERDACYQPIIKEILKNFPKERWDPSKVNILVPGAGLGRLAWEIAMLGYACQGNEWSFFMLFSSNFVLNRCSEINKYKLYPWIHQFSNNRRSADQIRPIFFPDVDPHSLPPGSNFSMTAGDFQEIYSECNTWDCIATCFFIDTAHNVIDYIDTIWKILKPGGIWINLGPLLYHFENLANELSIELSYEDIKNVVLQYGFKVEVEKESVLSTYTVNDLSMMKYYYECVLFVVRKPQ,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_480b955f6b56cd604a59a8c8,test
catpreddb_km_km_bd2b8b0d48acc4,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2.[I-],C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2.[I-],C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2.[I-]>>,public_strict_iteration1_fulltrue_msa,,-0.8961962790440432,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_bd4a14670c14bf,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.259637310505756,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_bd51e6051171bb,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.8124104856611605,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_bd5638247fc477,catpred_iteration1_km,km,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0163737128754655,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_km_km_bd68fc233b9c9d,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7971533827290875,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_bd77eafa965154,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCC/C=C\C/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5086383061657274,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_bd78e9a9c8447f,catpred_iteration1_km,km,B6T563,B6T563,MKIIIDTDPGIDDSVAILMAFQMPGVQVLGLTTIFGNCTTEHATRNALILCEKASHLEVPVAEGSHEPLKGGKPHVADFVHGPDGLGNVDLPDPTIKKVEESATDFLVDKVSRFPGEVSVLALGPLTNIALAIKKDPSFVKNVKKIVVLGGAFFAAGNATPSAEANIHSDPEAADMVFTSGADIYVVGLNITTQVSFTDKDLLELRNSQGKYAQFLCDVCKFYLDWHTESYGAPVIFLHDPVSFAALVRPELFTFKKGVVRVETQGICVGHTSMDMLLKKWNSENPWTGYSPISVAWTVDVPKVVAFVKELVTKP,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6968039425795112,,s_29497d9eb647a01fb19fc6cf,test
catpreddb_km_km_bd950f577b5047,catpred_iteration1_km,km,K4CB47,K4CB47,MGSEKMMKINIKESTLVKPSKPTPTKRIWSSNLDLIVGRIHLLTVYFYKPNGSSNFFDNKVIKEALSNVLVSFYPMAGRLGRDEQGRIEVNCNGEGVLFVEAESDSCVDDFGDFTPSLELRKLIPSVETSGDISTFPLVIFQITRFKCGGVALGGGVFHTLSDGLSSIHFINTWSDIARGLSVAVPPFIDRTLLRARDPPTSSFEHVEYHPPPTLNSSKNRESSTTTMLKFSSEQLGLLKSKSKNEGSTYEILAAHIWRCTCKARGLPEDQLTKLHVATDGRSRLCPPLPPGYLGNVVFTATPIAKSCELQSEPLTNSVKRIHNELIKMDDNYLRSALDYLELQPDLSTLIRGPAYFASPNLNINSWTRLPVHECDFGWGRPIHMGPACILYEGTIYIIPSPNSKDRNLRLAVCLDAGHMSLFEKYLYEL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS>>,public_strict_iteration1_fulltrue_msa,,-1.0757207139381184,,s_8cb0426bcd3214c6ac076000,test
catpreddb_km_km_bdbb34ca2d114a,catpred_iteration1_km,km,P53004,P53004,MNAEPERKFGVVVVGVGRAGSVRMRDLRNPHPSSAFLNLIGFVSRRELGSIDGVQQISLEDALSSQEVEVAYICSESSSHEDYIRQFLNAGKHVLVEYPMTLSLAAAQELWELAEQKGKVLHEEHVELLMEEFAFLKKEVVGKDLLKGSLLFTAGPLEEERFGFPAFSGISRLTWLVSLFGELSLVSATLEERKEDQYMKMTVCLETEKKSPLSWIEEKGPGLKRNRYLSFHFKSGSLENVPNVGVNKNIFLKDQNIFVQKLLGQFSEKELAAEKKRILHCLGLAEEIQKYCCSRK,C=CC1=C(C)C(C=c2[nH]/c(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O,C=CC1=C(C)C(C=c2[nH]/c(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O,C=CC1=C(C)C(C=c2[nH]/c(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O>>,public_strict_iteration1_fulltrue_msa,,-1.3337807700421975,,s_11342393ff618e3c41413bb9,test
catpreddb_km_km_bdc5f534adf6d3,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O,CC[C@](O)(C(=O)O)[C@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2994119156743594,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_bdcea2a9cc09cd,catpred_iteration1_km,km,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8685095773224492,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_km_km_bdd1f624873418,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_bdd2d6a3984a59,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_bdd4d8720d496b,catpred_iteration1_km,km,A0A832SVS8,A0A832SVS8,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5161792179584944,,s_2bf532d075628659b9957308,test
catpreddb_km_km_bddf0232a976c5,catpred_iteration1_km,km,G5DGA8,G5DGA8,MMVKIQDSVYLVTGGGSGLGEATAKLLLTEGARVTIFSRNEYKNEFPHDQVLSVKGDVRSESDVKRALEATIQKFGKLDGVMHCAGVFQNGDELFNMDTQQPGDYTVLTDIVTTNLLGTFNVNRLAIPYFLTNQPDEEGQKGIIINCSSTSGHSPMSSAVAYSTSKAAIIGLSYALAKQLSTLGIRVMDIAPALCDTPMFRRAVGFNQDIANFRNLFPARLIQPIEYANAVKHIIETPMLNGSSYQLDGALRP,C=CC(=C)CC(=O)CC(C)C,C=CC(=C)CC(=O)CC(C)C,C=CC(=C)CC(=O)CC(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_be1fd4afe3a92494c2d08c64,test
catpreddb_km_km_bddfcb5b26f647,catpred_iteration1_km,km,P53004,P53004,MNAEPERKFGVVVVGVGRAGSVRMRDLRNPHPSSAFLNLIGFVSRRELGSIDGVQQISLEDALSSQEVEVAYICSESSSHEDYIRQFLNAGKHVLVEYPMTLSLAAAQELWELAEQKGKVLHEEHVELLMEEFAFLKKEVVGKDLLKGSLLFTAGPLEEERFGFPAFSGISRLTWLVSLFGELSLVSATLEERKEDQYMKMTVCLETEKKSPLSWIEEKGPGLKRNRYLSFHFKSGSLENVPNVGVNKNIFLKDQNIFVQKLLGQFSEKELAAEKKRILHCLGLAEEIQKYCCSRK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.0902280322290656,,s_11342393ff618e3c41413bb9,test
catpreddb_km_km_bdf0e037ceac66,catpred_iteration1_km,km,A0A482P6A8,A0A482P6A8,MEESKVSLNDKNEGRWCLKGTTALVTGGSKGIGYAIVEELAGLGARVYTCSRNEKELQECLDIWKKNGLNVEGSVCDLLSRTEREKLMQTVAHVFDEKLNILVNNAGVVIHKEAKDFTEEDYNIIMGTNFEAAYHLSQIAYPLLKASQNGNVIFLSSIAGFSALPSVALYSASKGAINQMTKNLACEWAKDNIRVNSVAPGVILTPLVETAIKKNPHQKEEIDNFIVKTPMGRAGKPQEVSALIAFLCFPAASYITGQIIWADGGFTANGGF,CN1[C@@H]2CC[C@H]1CC(=O)C2,CN1[C@@H]2CC[C@H]1CC(=O)C2,CN1[C@@H]2CC[C@H]1CC(=O)C2>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_f98c926f36109796b46ceace,test
catpreddb_km_km_be18055f83507d,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.1135092748275181,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_be1d6a231adf1a,catpred_iteration1_km,km,Q12571,Q12571,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSINTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,Oc1ccccc1O,Oc1ccccc1O,Oc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_7be56673c21fd425bdc26c98,test
catpreddb_km_km_be2dcfc0a49d50,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,NCc1ccccc1,NCc1ccccc1,NCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.6922913143227868,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_be6241f7d31245,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,CCOC(=O)[C@H](Cc1ccc(O)cc1)N=C(C)O,CCOC(=O)[C@H](Cc1ccc(O)cc1)N=C(C)O,CCOC(=O)[C@H](Cc1ccc(O)cc1)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,0.9444826721501688,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_be751082a0875f,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5128616245228135,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_be8f2bcdcbd6d7,catpred_iteration1_km,km,Q54116,Q54116,MRVLVTGGAGFIGSHYVRQLLGGAYPAFAGADVVVLDKLTYAGNEENLRPVADDPRFRFVRGDICEWDVVSEVMREVDVVVHFAAETHVDRSILGASDFVVTNVVGTNTLLQGALAANVSKFVHVSTDEVYGTIEHGSWPEDHLLEPNSPYSAAKAGSDLIARAYHRTHGLPVCITRCSNNYGPYQFPEKVLPLFITNLMDGRRVPLYGDGLNVRDWLHVTDHCRGIQLVAESGRAGEIYNIGGGTELTNKELTERVLELMGQDWSMVQPVTDRKGHDRRYSVDHTKISEELGYEPVVPFERGLAETIEWYRDNRAWWEPLKSAPDGGK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.7212463990471711,,s_213bbd42cf1cb8794df441b4,test
catpreddb_km_km_bebd5f9bd8e816,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,CC(C)C[C@](O)(C(=O)O)[C@H](C)C(=O)O,CC(C)C[C@](O)(C(=O)O)[C@H](C)C(=O)O,CC(C)C[C@](O)(C(=O)O)[C@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9030899869919436,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_bef88ed4e357e3,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,CCOc1ccc(N)cc1,CCOc1ccc(N)cc1,CCOc1ccc(N)cc1>>,public_strict_iteration1_fulltrue_msa,,0.0043213737826425,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_befadaacadad6c,catpred_iteration1_km,km,O42479,O42479,MAAAGRAARPLVAGGRQLRVPLRWRGQVAAAAPSTKPQAEPETRKPKTGILMLNMGGPERLDDVHDFLLRLFLDRDLMTLPAQNKLAPFIAKRRTPRIQEQYSRIGGGSPIKKWTAVQGEGMVKLLDSMSPQTAPHKYYIGFRYVHPLTEEAIEEMEDDGIERAIAFTQYPQYSCSTTGSSLNAIYRYYNKKGKKPKMKWSIIDRWPTHPLLIQCFADHIQKELDLFPPDKRKDVVILFSAHSLPMSVVNRGDPYPQEVGATVQRVMEKLNHSNPYRLVWQSKVGPMPWLVPQTDETIKGLCQRGKKNMLLVPIAFTSDHIETLYELDIEYAQVLANECGVENIRRAESLNGNPLFSKALADLVCSHIQSNEICSKQLTLCCPLCVNPVCRETKAFFTNQQL,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C,C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C>>,public_strict_iteration1_fulltrue_msa,,-2.229147988357856,,s_4bd741ea99f7e281e0df9fc7,test
catpreddb_km_km_bf004296c4ffe1,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.9138003416612076,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_bf00c9e929a864,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCN,CCN,CCN>>,public_strict_iteration1_fulltrue_msa,,1.1072099696478683,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_bf253d7d5b7fbe,catpred_iteration1_km,km,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_48d0e57876a633501632a01a,test
catpreddb_km_km_bf2a0d06a5278e,catpred_iteration1_km,km,Q837B3,Q837B3,MSQKETFYITTPIYYPSGKLHIGNSYTTIACDAMARYKRLMGFDVFYLTGVDEHGQKIEKKAAELNVTPKEYVDKMAADVQKLWKTLDISYDKFIRTTDDYHMAAVQQIFDRLVEQGDIYLGEYEGWYSVSDEEFFTETQLAEVYRDDEGNVIGGKAPSGHEVELVKEESYFFRMSKYADRLVQYYEEHPEFIQPESRKNEMLNNFIKPGLEDLAVSRTTFSWGIPLKNDPKHVVYVWIDALSNYITALGYGSEDDSLFQKYWPANVQMVGKEIVRFHTIYWPIMLMALDLPLPKKVFGHGWLLMKDGKMSKSKGNVVYPEMLVERYGLDALRYYLLRAIPFGSDGVFTPEDFVSRLNYDLANDLGNLLNRTIAMINKYCDGKVPAYASKVTPFDSELSTTAANVIGKYHEAMEKMEFNTAIAEIWTLVSRANKYIDETAPWVLAKEEEKRNELESVMIHLAESLRIVAILLQPVMTETPGKIFEQLGLDPETMNMENIHFGEFPTDVTVTSKGTPIFPRLEIETEVTYIQKKMSQSESATEEDIKWNPEETTLVSTKEKQIKYDDFDKVELKVAEVIDCKKVKGADKLLQFRLDAGDENHRQILSGIAEFYPDPAALIGKKVVIVANLKPRKMRGQISQGMILSAESPEGKLQIVEAPKEMPNGAGIA,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_98f559e7ab60e4e34cabb98e,test
catpreddb_km_km_bf44bfaf14357b,catpred_iteration1_km,km,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,O=c1[nH]cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_d41fba0c5b340501d312a097,test
catpreddb_km_km_bf49f1da211f02,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NCCC[C@H](N)C(=O)[O-],N=C(N)NCCC[C@H](N)C(=O)[O-],N=C(N)NCCC[C@H](N)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.9684829485539352,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_bf53175e0cedbe,catpred_iteration1_km,km,Q20065,Q20065,MRAVLLVCLLAGLAHADLFTAIADLQHMLGAEKDVTTIIDQYIEAERARLDDLRRYAHEYVHRNAHAESVGPEFVTNPINAYLLIKRLTTEWKKVENIMLNNKASTFLKNITDNRVRSEVKFPGEEDLSGAATALLRLQDTYSLDTLDLSNGIIGGEKVSNKLSGHDTFEVGRSAYNQKDYYHCLMWMQVALVKIENENPPTIEEWEILEYLAYSLYQQGNVRRALSLTKRLAKIAPNHPRAKGNVKWYEDMLQGKDMVGDLPPIVNKRVEYDGIVERDAYEALCRGEIPPVEPKWKNKLRCYLKRDKPFLKLAPIKVEILRFDPLAVLFKNVIHDSEIEVIKELASPKLKRATVQNSKTGELEHATYRISKSAWLKGDLDPVIDRVNRRIEDFTNLNQATSEELQVANYGLGGHYDPHFDFARKEEKNAFKTLNTGNRIATVLFYMSQPERGGATVFNHLGTAVFPSKNDALFWYNLRRDGEGDLRTRHAACPVLLGVKWVSNKWIHEKGQEFTRPCGLEEEVQENFIGDLSPYANDP,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_e144ac3184fb273d67172e22,test
catpreddb_km_km_bf6b5f451ea207,catpred_iteration1_km,km,P20966,P20966,MKTLLIIDANLGQARAYMAKTLLGAAARKAKLEIIDNPNDAEMAIVLGDSIPNDSALNGKNVWLGDISRAVAHPELFLSEAKGHAKPYTAPVAATAPVAASGPKRVVAVTACPTGVAHTFMAAEAIETEAKKRGWWVKVETRGSVGAGNAITPEEVAAADLVIVAADIEVDLAKFAGKPMYRTSTGLALKKTAQELDKAVAEATPYEPAGKAQTATTESKKESAGAYRHLLTGVSYMLPMVVAGGLCIALSFAFGIEAFKEPGTLAAALMQIGGGSAFALMVPVLAGYIAFSIADRPGLTPGLIGGMLAVSTGSGFIGGIIAGFLAGYIAKLISTQLKLPQSMEALKPILIIPLISSLVVGLAMIYLIGKPVAGILEGLTHWLQTMGTANAVLLGAILGGMMCTDMGGPVNKAAYAFGVGLLSTQTYGPMAAIMAAGMVPPLAMGLATMVARRKFDKAQQEGGKAALVLGLCFISEGAIPFAARDPMRVLPCCIVGGALTGAISMAIGAKLMAPHGGLFVLLIPGAITPVLGYLVAIIAGTLVAGLAYAFLKRPEVDAVAKAA,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O,OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.2676062401770314,,s_d1cd3a901d578e50e3eaf718,test
catpreddb_km_km_bf8172807bbb11,catpred_iteration1_km,km,A8AAX2,A8AAX2,MSENPLESLKVKRRELDKLDKEILRLLKRRFEIVKEITDTKKNLGLPVYDRDREEEVMVTRTVWGLELGIPQEFTKEMFKMILEESKKIQLYTPEKVYVGIYGYGGMGEQLVKVFSRAGHRVVVTGRNLEKAEGLAKRFKVEWGEPKEVAKEVEWLILAVPPKAVPGLVKELAPLMRSGALLSDISSVKKTLVEEVLKVLPEYIEYISLHPLFGPEVEPLGETVVVVPVKSYDYWVRLVQNIFVSMGFEVITSTPEEHDRAMAVTQVLHHFALVSLDEAAKKLSKEYGVDYMRYATRSFKKTLETIQRLKELSEVIDEIQEMNEYAAHAREEFLKVASQMDKRWRKGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.207608310501746,,s_1fd33a5fb1335a22b4e2aa22,test
catpreddb_km_km_bf88d809fa26d5,catpred_iteration1_km,km,A0A291P0C1,A0A291P0C1,MKKHLLAGACALAMGFAVIPGTFADETCNSPFTTALITGQEQYLHVWTLGMPGVGDESDKLVTISVDPKSDKYGKVINTLSVGGRGEAHHTGFTDDRRYLWAGRLDDNKIFIFDLIDPANPKLIKTITDFADRTGYVGPHTFYALPGRMLIQALSNTKTHDGQTGLAVYSNAGELVSLHPMPVTDGGDGYGYDIGINPAKNVLLTSSFTGWNNYMMDLGKMVKDPEAMKRFGNTMAIWDLKSMKAEKILNVPGAPLEIRWSLKPEHNWAYTATALTSKLWLIKQDDKGEWIAKETGTIGDPSKIPLPVDISITADAKGLWVNTFLDGTTRFYDISEPEHPKEVFSKKMGNQVNMVSQSYDGKRVYFTTSLIANWDKKGAENDQWLKAYDWDGKELVEKFTVDFNELKLGRAHHMKFSSKTNAAELGTNQSFPTRQ,CS,CS,CS>>,public_strict_iteration1_fulltrue_msa,,-3.6020599913279625,,s_bbd73d932e41df5192d0924e,test
catpreddb_km_km_bfae7cda7ff7de,catpred_iteration1_km,km,Q2T596,Q2T596,MTTAVLDAAQTARVTPFAELTDALRTAALDAAAGRIASPARLVVPLNEGGVMLSMPASAPDLAIHKLVTVCPRNRGSGLPTIQGQVSVVDPTTGAPLFALDGPTVTGRRTAAVTLLAMRTFLAAAPRDVLLIGTGTQAAHHVDALAALFPGVRVRVKARTAAQAAAFCERLRTVLPTLEPLGGDALPDALDAIITSTTSATPVYDEEARAGRLVVGVGAFTPEAAEVGARTIAGSALYVDDPAGARHEAGDLIVAGVDWARVRSLADALRAPAATRASASASTASDGPASGLPVFFKSVGCAAWDLAACRVAREFISRTRACT,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1>>,public_strict_iteration1_fulltrue_msa,,0.5481072926732027,,s_2e79ab266838958367fcf03d,test
catpreddb_km_km_bfb14d690f36fc,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O,Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1191864077192085,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_bfbed7a40681c8,catpred_iteration1_km,km,P45568,P45568,MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEASAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTILLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVSILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFNASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFCKLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALNLSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS,[Mn+2],[Mn+2],[Mn+2]>>,public_strict_iteration1_fulltrue_msa,,-1.0267738674934634,,s_27015adbfee76024dda17db7,test
catpreddb_km_km_bfd6495f2da3a6,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.9746941347352298,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_bfea498114f813,catpred_iteration1_km,km,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@H]12)c1ccco1>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_48d0e57876a633501632a01a,test
catpreddb_km_km_bfed6ffd0b4515,catpred_iteration1_km,km,P50317,P50317,MGDLTIPTMDDIDIQSKKVLLRIDINSPVDENGKIIDDSRIKAHIGTIKELINKGNSVVLISHQGRPGDKDFTSLEEHAKLISKYLDREVIFVDDVIGPYAREMIKKLENNGILLLDNIRLISEELIEAPPQQHVKSFLVKKLAPLFDIYINDAFATAHRSQPSIVGFPLALPSAAGRVMEREVSALAKIFNAEDTPKIFTLGGGKVHDTIRIIENLVRKRIADRILTGGLVAELFSVAKGMNLNPKNMEILEKLGILSLIPRARKLLLSGAPIEIPVDYKVEINGNVIEEPASKVTGIIKDIGSTTAEIYSSFIKDAKVVVLRGPMGVIEDERFKSGSKSVLKASLEGQGYVIIGGGHMISALDEDMKIDSSKVHISTGGGALLLFLSGERLPALEALSMSVVNSGD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9867717342662448,,s_84c1c44d3d3765119cda3118,test
catpreddb_km_km_bff51567a0dc69,catpred_iteration1_km,km,P0AFG8,P0AFG8,MSERFPNDVDPIETRDWLQAIESVIREEGVERAQYLIDQLLAEARKGGVNVAAGTGISNYINTIPVEEQPEYPGNLELERRIRSAIRWNAIMTVLRASKKDLELGGHMASFQSSATIYDVCFNHFFRARNEQDGGDLVYFQGHISPGVYARAFLEGRLTQEQLDNFRQEVHGNGLSSYPHPKLMPEFWQFPTVSMGLGPIGAIYQAKFLKYLEHRGLKDTSKQTVYAFLGDGEMDEPESKGAITIATREKLDNLVFVINCNLQRLDGPVTGNGKIINELEGIFEGAGWNVIKVMWGSRWDELLRKDTSGKLIQLMNETVDGDYQTFKSKDGAYVREHFFGKYPETAALVADWTDEQIWALNRGGHDPKKIYAAFKKAQETKGKATVILAHTIKGYGMGDAAEGKNIAHQVKKMNMDGVRHIRDRFNVPVSDADIEKLPYITFPEGSEEHTYLHAQRQKLHGYLPSRQPNFTEKLELPSLQDFGALLEEQSKEISTTIAFVRALNVMLKNKSIKDRLVPIIADEARTFGMEGLFRQIGIYSPNGQQYTPQDREQVAYYKEDEKGQILQEGINELGAGCSWLAAATSYSTNNLPMIPFYIYYSMFGFQRIGDLCWAAGDQQARGFLIGGTSGRTTLNGEGLQHEDGHSHIQSLTIPNCISYDPAYAYEVAVIMHDGLERMYGEKQENVYYYITTLNENYHMPAMPEGAEEGIRKGIYKLETIEGSKGKVQLLGSGSILRHVREAAEILAKDYGVGSDVYSVTSFTELARDGQDCERWNMLHPLETPRVPYIAQVMNDAPAVASTDYMKLFAEQVRTYVPADDYRVLGTDGFGRSDSRENLRHHFEVDASYVVVAALGELAKRGEIDKKVVADAIAKFNIDADKVNPRLA,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9200669193484232,,s_bf43e86a2f3fadbc4bd9c8e6,test
catpreddb_km_km_bff54a71c1cabc,catpred_iteration1_km,km,O60704,O60704,MRLSVRRVLLAAGCALVLVLAVQLGQQVLECRAVLAGLRSPRGAMRPEQEELVMVGTNHVEYRYGKAMPLIFVGGVPRSGTTLMRAMLDAHPEVRCGEETRIIPRVLAMRQAWSKSGREKLRLDEAGVTDEVLDAAMQAFILEVIAKHGEPARVLCNKDPFTLKSSVYLSRLFPNSKFLLMVRDGRASVHSMITRKVTIAGFDLSSYRDCLTKWNKAIEVMYAQCMEVGKEKCLPVYYEQLVLHPRRSLKLILDFLGIAWSDAVLHHEDLIGKPGGVSLSKIERSTDQVIKPVNLEALSKWTGHIPGDVVRDMAQIAPMLAQLGYDPYANPPNYGNPDPFVINNTQRVLKGDYKTPANLKGYFQVNQNSTSSHLGSS,O=C(O)CC[C@H](NCc1ccccc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O,O=C(O)CC[C@H](NCc1ccccc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O,O=C(O)CC[C@H](NCc1ccccc1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0874264570362855,,s_a49165424debfdaef30bf5a5,test
catpreddb_km_km_c0295851dda14a,catpred_iteration1_km,km,Q9AE70,Q9AE70,MTLKGKTALVTGSTSGIGLGIAQVLARAGANIVLNGFGDPAPALAEIARHGVKAVHHPADLSDVAQIEALFALAEREFGGVDILVNNAGIQHVAPVEQFPLESWDKIIALNLSAVFHGTRLALPGMRARNWGRIINIASVHGLVGSTGKAAYVAAKHGVVGLTKVVGLETATSNVTCNAICPGWVLTPLVQKQIDDRAANGGDPLQAQHDLLAEKQPSLAFVTPEHLGELVLFLCSEAGSQVRGAAWNVDGGWLAQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_3d3d5d951341d2362831d124,test
catpreddb_km_km_c050f86ef220f9,catpred_iteration1_km,km,O64437,O64437,MFIESFRVESPHVRYGAAEIESDYQYDTTELVHESHDGASRWIVRPKSVRYNFRTTTTVPKLGVMLVGWGGNNGSTLTAGVIANREGISWATKDKVQQANYYGSLTQASTIRVGSYNGEEIYAPFKSLLPMVNPDDLVFGGWDISNMNLADAMTRAKVLDIDLQKQLRPYMESMVPLPGIYDPDFIAANQGSRANNVIKGTKKEQMEQIIKDIREFKEKSKVDKVVVLWTANTERYSNVCVGLNDTMENLLASVDKNEAEISPSTLYAIACVMEGIPFINGSPQNTFVPGLIDLAIKNNCLIGGDDFKSGQTKMKSVLVDFLVGAGIKPTSIVSYNHLGNNDGMNLSAPQTFRSKEISKSNVVDDMVSSNAILYELGEHPDHVVVIKYVPYVGDSKRAMDEYTSEIFMGGKSTIVLHNTCEDSLLAAPIILDLVLLAELSTRIQLKAEGEEKFHSFHPVATILSYLTKAPLVPPGTPVVNALAKQRAMLENIMRACVGLAPENNMILEYK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.9753909886649093,,s_412c330e5a4ac7faa11fcc10,test
catpreddb_km_km_c07fe714a77406,catpred_iteration1_km,km,A0A075BSX9,A0A075BSX9,MTEKIYDAIVVGAGFSGLVAARELSAQGRSVLIIEARHRLGGRTHVVNFLGRPVEIGGAGVHWCQPHVFAEMQRYGFGFKEAPLADLDKAYMVFADGQKIDVPPATFDEEYTTAFEKFCSRSRELFPRPYSPLDNHEVSNLDGVSARDHLESLGLNELQLASMNAELTLYGGAPTTELSYPSFVKFHALASWDTITFTDSEKRYHVQGGTNALCQAIFDDCRADSEFGVPVEAVAQTDNGVTVTLADKRVFRALTCVLTLPTKVYADVRFEPPLPPEKRAFIEHAEMADGAELYVHVRQNLGNTFTFCDDPNPFNAVQTYAYDDELGTILKITIGRQSLINLENFDAIAAEIRKIHGDVEVLEALPYNWAMDEYARTSYPAMRKGWFSRYKDMAKPENRLFFAGSATADGWHEYIDGAIESGIRVGREIRHFMKATA,CN1CCC[C@H]1c1ccc(O)nc1,CN1CCC[C@H]1c1ccc(O)nc1,CN1CCC[C@H]1c1ccc(O)nc1>>,public_strict_iteration1_fulltrue_msa,,-0.165155645971896,,s_f559454f7a41afe33325e9b9,test
catpreddb_km_km_c080c1c1c86237,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(Cc1ccccc1)C(O)=NCC(=O)O,CC(Cc1ccccc1)C(O)=NCC(=O)O,CC(Cc1ccccc1)C(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6127838567197355,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_c085178ac02a47,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.161150909262745,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_c08b68f32477a6,catpred_iteration1_km,km,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.6882461389442457,,s_55a74685ac62fb5c184ff381,test
catpreddb_km_km_c099a54f856b71,catpred_iteration1_km,km,Q3A7N7,Q3A7N7,MADEIFDLIVLGAGPGGYVGAIRAAQLGMKVAVVESRPTLGGVCLNEGCIPSKALLDSSEHFALARDKFDMHGIEIPAPKLNLAKMMERKEGVVSDLTGGIAFLFKKNKVTWIKGRGKLLGAGGDGLQQVEVTGKNAGVVKGKNVLLATGGKVAQVPGITVDNDVIIDNVGALSIDKVPEHLMIIGAGYIGLELGSVWLRLGSKVTVVEMLPKMLPKTDADTTQALQRSLKKQGMTFNMGTTVGGIEVSGGKATVKLVKNDKEKEVVCDKVLMSIGRKPNTDGLGLEELGVEMGERGTIKVDDNYATNVPGIYAIGDLIPGPMLAHKASEEAVVFVERLVGKNSEVHYGTIPGVCYTWPEVASVGKTEQQLQEEGTPVKVGKFNFVGNGRARAMAETEGFVKIIAHAENGQVLGVHIFGPRASDMIAEAVAVMSYGGTAHDIGAMFHGHPTLSEAVKEAALDVDGAAVHC,NC(=O)CCCCC(S)CCS,NC(=O)CCCCC(S)CCS,NC(=O)CCCCC(S)CCS>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_d02c2fdf8b0ae996ba178ff8,test
catpreddb_km_km_c09ea719dc1ddc,catpred_iteration1_km,km,C5BN23,C5BN23,MRNPLRYTLLAFLLGHLGIAQSAPLTADQDHAQLLHVLGIENLRRGADGNTDSPFAANTDEAKANTALDSLPPLLTSVSGQAIASATDWEANRPALLNTFSQEIYGYVPGGAPELHWKAGSTTPIDDSGTSAIRQHFTSTLVHPENAALNLSLNFTLVLPKSNKPVPVVVVMSFDPGIWERFRDRMPAERYAQIQADNARWREQVVNAGWGYAEIIPTEFQADSGDGLSQGIIGFVNNGKPRNPTDWGALRAWAWSASQVLTYLQTDSRVAADRISVHGHSRFGKAALVAMAFDNRFAAGFISSSGEGGAKLWRRNFGEQVGNLAGAGEYHWMAGNFVKYAGPKKVNDIPVDAHQLLALCAPRPVLVSVGSQGESWVDPKGMLLAAYHATPAYALFGEQGVTQNELPAVGNGLLAGKLAFRQHEGGHTPAPNWETFITFATRQWASPNRLK,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5403294747908738,,s_21282d4f8da81a8e39870ab1,test
catpreddb_km_km_c0cb95bbfc325c,catpred_iteration1_km,km,A5K867,A5K867,MISEPVDIKYLENNQYSDEGIKAYEFIFGEDYISSGGIIATTKILSDIQLDANSKVLDIGSGLGGGCKYINEKYGAHVHGVDICEKMVTIAKLRNQDKAKIEFEAKDILKKDFPESTFDMIYSRDSILHLSYADKKMLFEKCYKWLKPNGILLITDYCADKIENWDEEFKAYIKKRKYTLMPIQEYGDLIKSCKFQNVEAKDISDYWLELLQLELSKLEEKKEEFLKVYSIKEYNSLKDGWTRKIKDTKRDLQKWGYFKAQKMI,NCCOP(=O)(O)O,NCCOP(=O)(O)O,NCCOP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_a04a4a6a53f401afa791b675,test
catpreddb_km_km_c0ddaa31e0660d,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O,CC(C)C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8394780473741984,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_c105b89d1f9bf8,catpred_iteration1_km,km,P71447,P71447,MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLEKMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSYYTLEFLKEVWLQKQK,[Mg+2],[Mg+2],[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_a76484e5b19a83bd01990ff4,test
catpreddb_km_km_c109d768712228,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_451a9f71732397357584e474,test
catpreddb_km_km_c11c1a84eeed26,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-],CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-],CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_c128a085a53c0f,catpred_iteration1_km,km,Q9I5F3,Q9I5F3,MSRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAVTEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFSVPSGLKAWIDQIVRLGVTFDFVLDNGVAQYRPLLRGKRALIVTSRGGHGFGPGGENQAMNHADPWLRTALGFIGIDEVTVVAAEGEESGGRSFEDSCDEAEQRLLALARSA,O=C(O)CCNC(=O)c1ccc(N/N=C2/C=CC(=O)C(C(=O)O)=C2)cc1,O=C(O)CCNC(=O)c1ccc(N/N=C2/C=CC(=O)C(C(=O)O)=C2)cc1,O=C(O)CCNC(=O)c1ccc(N/N=C2/C=CC(=O)C(C(=O)O)=C2)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.0061230850587888,,s_b4a31a08446712d2d07ed420,test
catpreddb_km_km_c133747abcd802,catpred_iteration1_km,km,P22243,P22243,MALRITPVTLQSERYRSFSFPKKANLRSPKFAMASTLGSSTPKVDNAKKPFQPPREVHVQVTHSMPPQKIEIFKSIEGWAEQNILVHLKPVEKCWQAQDFLPDPASEGFDEQVKELRARAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAVWTRAWTAEENRHGDLLHTYLYLSGRVDMRQIQKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFVSHGNTARHAKDHGDVKLAQICGTIASDEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFEHFSAVAQRLGVYTAKDYADILEFLVGRWKVADLTGLSGEGRKAQDYVCGLPPRIRRLEERAQGRAKEGPVVPFSWIFDRQVKL,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0809219076239263,,s_b893464d5f7c257bff8216c6,test
catpreddb_km_km_c1534c604ed23a,catpred_iteration1_km,km,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,S,S,S>>,public_strict_iteration1_fulltrue_msa,,0.6864007875403684,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_km_km_c15436bd3b958e,catpred_iteration1_km,km,P42801,P42801,MFIESFKVESPNVKYTENEIHSVYDYETTEVVHEKTVNGTYQWIVKPKTVKYDFKTDIRVPKLGVMLVGLGGNNGSTLTAGVIANKEGISWATKDKVQQANYFGSLTQASSIRVGSFNGEEIYAPFKSLLPMVNPDDVVFGGWDISDMNLADAMARARVLDIDLQKQLRPYMENIVPLPGIFDPDFIAANQGSRANHVIKGTKKEQVDHIIKDMREFKEKNKVDKVVVLWTANTERYSNVVVGMNDTMENLMESVDRDEAEISPSTLYAIACVLEGIPFINGSPQNTFVPGLIDMAIRNNVLIGGDDFKSGQTKMKSVLVDFLVGAGIKPTSIVSYNHLGNNDGMNLSAPQTFRSKEISKSNVVDDMVASNGILFEPGEHPDHVVVIKYVPYVADSKRAMDEYTSEIFMGGKNTIVMHNTCEDSLLAAPIILDLVLLAELSTRIQFKSEGEGKFHSFHPVATILSYLTKAPLVPPGTPVINALSKQRAMLENIMRACVGLAPENNMIMEFK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-3.337242168318426,,s_55d7aff8c1bb0ab170027d37,test
catpreddb_km_km_c16bc9acbf5c6c,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4634415574284698,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_c1718a2b8dd711,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCCCCC(N)C(=O)O,CCCCCC(N)C(=O)O,CCCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_c17d905e1909f0,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)c3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)c3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)c3ccccc3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.4934949675951279,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_c18eab9591d931,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,O[C@@H]1C=CC=C[C@@H]1O,O[C@@H]1C=CC=C[C@@H]1O,O[C@@H]1C=CC=C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2006594505464183,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_c192c778f92bff,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-0.5243288116755703,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_c19ae1bc25e43f,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,COC(=O)[C@H](CC(C)C)N=C(C)O,COC(=O)[C@H](CC(C)C)N=C(C)O,COC(=O)[C@H](CC(C)C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.4771212547196624,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_c1d25ebb9fe09e,catpred_iteration1_km,km,B6E2X2,B6E2X2,MSFRTQPPAPARLNRCQLFGPGSRPAIFEKMAQSAADVINLDLEDSVAPDDKPQARRNIIEASHNIDWGNKYLSVRINGLDTPFWYRDVVELLEDGSERIDQIMIPKVGCAADVYAVDALVTAIEAAKGRKKRISLEVIIESAAGIAHVEEIAAASPRLQAMSLGAADFAASMGMATTGIGGTQENYYMLHAGVKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQALRSATLGMVGKWAIHPKQVALANEVFTPSDAAVAEAREILAAMEKAKAEGAGATVYKGRLVDIASIRQAEVIVRQAEMAKV,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O,C[C@@H](C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_d20d8d975a86869d0f4564a7,test
catpreddb_km_km_c1e2035e0af16f,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12,O=C(Cc1cccs1)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.2839966563652008,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_c1e82541cb7494,catpred_iteration1_km,km,Q9ZN55,Q9ZN55,MKTSNTKTPKPVLIAGPCVIESLENLRSIAIKLQPLANNERLDFYFKASFDKANRTSLESYRGPGLEKGLEMLQTIKDEFGYKILTDVHESYQASVAAKVADILQIPAFLCRQTDLIVEVSQTNAIVNIKKGQFMNPKDMQYSVLKALKTRDSSIQSPTYETALKNGVWLCERGSSFGYGNLVVDMRSLKIMREFAPVIFDATHSVQMPGGANGKSSGDSSFPPILPRAAAAVGIDGLFAETHIDPKNALSDGANMLKPDELEHLVTDMLKIQNLF,O=CC(O)C(O)C(O)COP(=O)(O)O,O=CC(O)C(O)C(O)COP(=O)(O)O,O=CC(O)C(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8207422885636224,,s_6c6a9128c0ab4434580051fd,test
catpreddb_km_km_c1fedbab3a17b7,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC[C@H](C)[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC[C@H](C)[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC[C@H](C)[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.744727494896694,,s_955f208818110e17c458234b,test
catpreddb_km_km_c20d6a396d0a62,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCCCC(O)=NC1CCOC1=O,CCCCCCCC(O)=NC1CCOC1=O,CCCCCCCC(O)=NC1CCOC1=O>>,public_strict_iteration1_fulltrue_msa,,-0.1674910872937636,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_c21a9c17806301,catpred_iteration1_km,km,Q5LRT0,Q5LRT0,MLGQMMYQPLLISSLIDHAARYHGEAQIWSVSTEGGVEETNWAGIADNARRLGSVLTDAGLAPQSRVATLAWNNRRHLEIYYGVSGAGFVLHTINPRLFPEQLVYILNHAEDRILFFDATFLPLVEGIRPHLTTVERLVLMGPRDEAAAARIEGLEFYDEFVATGDAGFDWPDLDERTASSLCYTSGTTGNPKGVLYSHRSTVLHSFGSNTRDCIGFSARDVVMPVVPMFHVNAWGTPYACAMSGSCMVLPGPDLHGEALVGLIDRYRVTIALGVPTIWQGLLATARAKGSTLESLTRTVIGGAACPPSMIAEFRDRYGVDTVHAWGMSEMSPLGTTNQPLAKHGALPIEAQHKLRENQGRPPYGVELKIVDDDGNTLPNDGQTQGDLMVRGHWVLDSYFQLQDQPILSDGWFATGDVATLDRDGYMTIRDRSKDIIKSGGEWISSVELENIAVAHPKLATAAVIGVPHPKWDERPLLVAVKAEGETPDEAELLAFFDGKIAKWQVPDRVVFVEALPLNATGKVLKRTLREQFRDVLTG,C=CC(=O)O.[Na],C=CC(=O)O.[Na],C=CC(=O)O.[Na]>>,public_strict_iteration1_fulltrue_msa,,0.7201593034059569,,s_a5f87fece84bb75d5e29c14c,test
catpreddb_km_km_c224b90e16ba89,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3098039199714864,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_c22a8f8f63fb1d,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-1.6003262785189618,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_c23decfebd620e,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1191864077192086,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_c240f8704e5e0c,catpred_iteration1_km,km,B5AMJ8,B5AMJ8,MPEIKCGAAEKVKPAASPEAEKPADIAGNISYHAQYSPHFSPFAFGPEQAFYATAESVRDHLIQRWNETYLHFHKTDPKQTYYLSMEYLQGRALTNAVGNLGITGAYAEAVKKFGYELEALAGQEKDAALGNGGLGRLASCFLDSMATLNLPAWGYGLRYRYGLFKQHIAKEGQEEVAEDWLDKFSPWEIPRHDVVFPVRFFGHVEILPDGSRKLVGGEVLKALAYDVPIPGYKTKNAISLRLWEAKATAEDFNLFQFNDGQYESAAQLHARAQQICAVLYPGDATEEGKLLRLKQQFFLCSASLQDMIARFKERKSDRVSGKWSEFPTKVAVQLNDTHPTLAIPELMRLLMDEEGLGWDEAWDITYRTISYTNHTVLPEALEKWSQIVMRKLLPRHMEIIEEIDKRFKELVISKHKEMEGKIDSMKVLDNSNPQKPVVRMANLCVVSSHTVNGVAELHSNILKQELFADYVSIWPTKFQNKTNGITPRRWLRFCNPELSEIVTKWLKSDQWTSNLDLLTGLRKFADDEKLHAEWAAAKLSCKKRLAKHVLDVTGVTIDPTSLFDIQIKRIHEYKRQLLNILGAVYRYKKLKGMSAEEKQKVTPRTVMIGGKAFATYTNAKRIVKLVNDVGAVVNNDPEVNKYLKVVFIPNYNVSVAEVLIPGSELSQHISTAGMEASGTSNMKFSLNGCVIIGTLDGANVEIREEVGEDNFFLFGAKADEVAGLRKDRENGLFKPDPRFEEAKQFIRSGAFGSYDYEPLLDSLEGNSGFGRGDYFLVGYDFPSYIDAQDRVDAAYKDKKKWTKMSILNTAGSGKFSSDRTIAQYAKEIWDIKASPVV,OCC1OC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(OC3C(CO)OC(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3467874862246563,,s_69e13a3447203fac161e718e,test
catpreddb_km_km_c256e5b7936363,catpred_iteration1_km,km,O69787,O69787,MTTGKPNILIIMVDQLNGKLFPDGPADFLHAPNLKALAKRSARFHNNYTSSPLCAPARASFMAGQLPSRTRVYDNAAEYQSSIPTYAHHLRRAGYYTALSGKMHFVGPDQLHGFEERLTTDIYPADFGWTPDYRKPGERIDWWYHNLGSVTGAGVAEITNQMEYDDEVAFLANQKLYQLSRENDDESRRPWCLTVSFTHPHDPYVARRKFWDLYEDCEHLTPEVGAIPLDEQDPHSQRIMLSCDYQNFDVTEENVRRSRRAYFANISYLDEKVGELIDTLTRTRMLDDTLILFCSDHGDMLGERGLWFKMNFFEGSARVPLMIAGPGIAPGLHLTPTSNLDVTPTLADLAGISLEEVRPWTDGVSLVPMVNGVERTEPVLMEYAAEASYAPLVAIREGKWKYVYCALDPEQLFDLEADPLELTNLAENPRGPVDQATLTAFRDMRAAHWDMEAFDAAVRESQARRWVVYEALRNGAYYPWDHQPLQKASERYMRNHMNLDTLEESKRYPRGE,CP(=O)([O-])Oc1ccc([N+](=O)[O-])cc1,CP(=O)([O-])Oc1ccc([N+](=O)[O-])cc1,CP(=O)([O-])Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,1.8260748027008264,,s_bf3f5fbb31d22548fdedd197,test
catpreddb_km_km_c25a0fb4df118b,catpred_iteration1_km,km,P9WLH5,P9WLH5,MKVVIEADGGSRGNPGPAGYGAVVWTADHSTVLAESKQAIGRATNNVAEYRGLIAGLDDAVKLGATEAAVLMDSKLVVEQMSGRWKVKHPDLLKLYVQAQALASQFRRINYEWVPRARNTYADRLANDAMDAAAQSAAADADPAKIVATESPTSPGWTGARGTPTRLLLLRHGQTELSEQRRYSGRGNPGLNEVGWRQVGAAAGYLARRGGIAAVVSSPLQRAYDTAVTAARALALDVVVDDDLVETDFGAWEGLTFAEAAERDPELHRRWLQDTSITPPGGESFDDVLRRVRRGRDRIIVGYEGATVLVVSHVTPIKMLLRLALDAGSGVLYRLHLDLASLSIAEFYADGASSVRLVNQTGYL,Cc1cc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2cc1C,Cc1cc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2cc1C,Cc1cc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2cc1C>>,public_strict_iteration1_fulltrue_msa,,0.0293837776852096,,s_791dbfefef7d028e09c49213,test
catpreddb_km_km_c25d2dbdff10b0,catpred_iteration1_km,km,Q27705,Q27705,MLSSSHLPTTIVTPKNVPTLGVLVGGGPAPGINGVIGAVTIEAINNGYRVLGFLEGFQNLILQDDSKIVELTIDSVSRIHFEGGSILKTSRANPTKKQEDLQKVVKQLQKFNVSLLVTIGGDDTAFSSMSVAKAANNEIHVVTLPKTIDNDLPLPYGIPTFGYETAREFGANVVRNLMTDASTASRYFIVVAMGRQAGHLALGIGKSAGSHLTLIPEEFLPTTDSTEPEVTFSRICDMIEASIIKRLYTSKKDHGVIVLAEGLLEYMSTDELKQAFGSSLKYDAHDHIMLAELDFGRLVRDEMRERMNRRGLKIAFTEKNLGYELRCAPPNAFDREYTRDLGNGAVRYLLNGGNGALITVQGVKMVPLSFDDLKDPRTGKTRTRQVDVSSEGFQVAKRYMIRLEKKDFEKEETLKGLAATAKCSVEDFIKQFKYLVQ,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_009bffb5a8febe1432335e9c,test
catpreddb_km_km_c2657458df93aa,catpred_iteration1_km,km,A2A1C5,A2A1C5,MKKFALKTAVVAIVGYLGVVGYVHQYDKGQMEKLLAEGSYSAEQQKIAKVFFNNGCQYCHTPNAELPFYAHVPLVGSMLQNDIKEGNRVFLLNELLNGLKDPSKLSEVDLAKLERVIENDEMPIAKFLHIHWGSRPDEDEKTALLNWIREQRKAFLPVNTEGTDNHRLVQPIPDEIMTDAAKVALGHKLFMDGRLSGDGTIKCHTCHQLDKGGVDRLDTSTGIDGKKGGINAPTVFNAAFNFAQFWDGRAVDLADQAGGPPLNPVEMGSHSWEEIVARFEQDEDFKQAFLQVYPQISKETLTNAIGEYEKTLITPNSDFDRYLKGENTLTAQQLKGYELFKQYKCDTCHTGVNMGGQSYEYMGIYGDYFKDRGTPLTDADQGRFAQTQDPYDMHRFKVPSLRNIALTAPYMHDASAKDLKEAVRIMLKYQSNAKPQQQDIDDITSFLESLTGEFEGKKLQ,COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC,COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC,COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC>>,public_strict_iteration1_fulltrue_msa,,-0.9546770212133424,,s_8d5d06350cafbbb674827046,test
catpreddb_km_km_c26d7a931d20ba,catpred_iteration1_km,km,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.552072775277004,,s_7339ebca9bb234fe98b49268,test
catpreddb_km_km_c2852b33a59618,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.380211241711606,,s_27293a9716281920c2a47964,test
catpreddb_km_km_c2a2e6413193b9,catpred_iteration1_km,km,Q91XT9,Q91XT9,MAKRTFSSLEAFLIFLLVMMTAITVALLTLLFVTSGTIENHKDSGNHWVSTTQGPTTTQSSPTTQTPTTQTPDLPPSQNFSGYYIGVGRADCTGQVSDINLMGYGKNGQNAQGLLTRLFSRAFILADPDGSNRMAFVSVELCMISQRLRLEVLKRLQSKYGSLYRRDNVILSATHTHSGPAGFFQYTLYILASEGFSNRTFQYIVSGIVKSIDIAHTNLKPGKVLINKGNVANVQINRSPSSYLQNPPSERARYSSDTDKEMVVLKLVDLNGEDLGLISWFAVHPVSMNNSNHLVNSDNMGYAAYLFEQEKNRGYLPGQGPFVAGFASSNLGDVSPNILGPHCVNTGESCDNDKSTCPSGGPSMCMASGPGQDMFESTHIIGRVIYQKAKELHASASQEVTGPVLTAHQWVNMTDVSVQLNATHTVKTCKAALGYSFAAGTIDGVSGLNITQGTTEGNLFWDTLRDQLLGKPSEEIIECQKPKPILIHTGELTKPHPWQPDIVDIQIVTLGSLAIAAIPGEFTTMSGRRLREAVKKEFALYGMKDMTVVIAGLSNVYTHYITTYEEYQAQRYEAASTIYGPHTLSAYIQLFRALAKAIATDTVANMSSGPEPPFFKNLIGSLIPNIADRAPIGKQFGDVLQPAKPEYRVGEVVEVVFVGANPKNSAENQTHQTFLTVEKYEDSVANWQIMHNDASWETRFYWHKGVLGLSNATIHWHIPDTALPGVYRIRYFGHNRKQELLKPAVILAFEGISSPFEIVTT,CCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC,CCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC>>,public_strict_iteration1_fulltrue_msa,,0.5843312243675308,,s_77a025ed435bfd24ca12897c,test
catpreddb_km_km_c2b0732d69401d,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.1487416512809247,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_c2e12277ada7c4,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.337242168318426,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_c30701ad73f8bc,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,CNc1nc[nH]c2ncnc1-2,CNc1nc[nH]c2ncnc1-2,CNc1nc[nH]c2ncnc1-2>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_c3073b43cd8edb,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CC(C)O,CC(C)O,CC(C)O>>,public_strict_iteration1_fulltrue_msa,,-3.2518119729938,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_c31972cc2959f9,catpred_iteration1_km,km,A0A075B5H4,A0A075B5H4,MFSDLKGKRILITGSTEGIGMATAIELARYGAVVGLNSHVDPADPALLLGKLREAGGDGAFFRADITKTAECQRLVSAFVERFDGIDVLINNAGGLAGRSNLENIDDAFYDRVMDLNGRSVLMMTKFAIPHLRASAKASGTTSAVISTGSIAAREGGGIGAGVYAASKAWLHDIHRNWVKEFTKDSIRFNIVAPGTVDTAFHADKSDELKTRIANSIPMGRFGTVQELAPAYVFFASHAASGYITGQILDVNGGQICP,O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO,O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.380211241711606,,s_27293a9716281920c2a47964,test
catpreddb_km_km_c3348a4709fad0,catpred_iteration1_km,km,A0A1J0AHX8,A0A1J0AHX8,MAVQMQPSFILTEKFEKLKFTDFVSVDSVSTPSTPSTPCSPPAEPFSIEVITAGDADEVLRFLRCFFIRDEPLNHSIGLLDGKETCPELESYSIKGLDSGLNLKAVSNGKIIGVCLNGILTRGYLEEIEEANCEDKKFESILRLLDHVAVQSDIFSHFPDVDKAMVVKILSVDSSLRGRGIAKDLMNRTRDLARELGCGIMTADCTSHFTARALKKLGFECIYSLNYEDYKVNGEVVFTPETPHAAVTVYTQRIVK,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_2a8d7422e6046b195bbd75d4,test
catpreddb_km_km_c340ccb25897f5,catpred_iteration1_km,km,P37213,P37213,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.2329900014453394,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_c347a92748e86d,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,CC(C)C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O,CC(C)C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O,CC(C)C[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8239087409443188,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_c34fe6acf32b3a,catpred_iteration1_km,km,P26221,P26221,MSVTEPPPRRRGRHSRARRFLTSLGATAALTAGMLGVPLATGTAHAEPAFNYAEALQKSMFFYEAQRSGKLPENNRVSWRGDSGLNDGADVGLDLTGGWYDAGDHVKFGFPMAFTATMLAWGAIESPEGYIRSGQMPYLKDNLRWVNDYFIKAHPSPNVLYVQVGDGDADHKWWGPAEVMPMERPSFKVDPSCPGSDVAAETAAAMAASSIVFADDDPAYAATLVQHAKQLYTFADTYRGVYSDCVPAGAFYNSWSGYQDELVWGAYWLYKATGDDSYLAKAEYEYDFLSTEQQTDLRSYRWTIAWDDKSYGTYVLLAKETGKQKYIDDANRWLDYWTVGVNGQRVPYSPGGMAVLDTWGALRYAANTAFVALVYAKVIDDPVRKQRYHDFAVRQINYALGDNPRNSSYVVGFGNNPPRNPHHRTAHGSWTDSIASPAENRHVLYGALVGGPGSPNDAYTDDRQDYVANEVATDYNAGFSSALAMLVEEYGGTPLADFPPTEEPDGPEIFVEAQINTPGTTFTEIKAMIRNQSGWPARMLDKGTFRYWFTLDEGVDPADITVSSAYNQCATPEDVHHVSGDLYYVEIDCTGEKIFPGGQSEHRREVQFRIAGGPGWDPSNDWSFQGIGNELAPAPYIVLYDDGVPVWGTAPEEGEEPGGGEGPGGGEEPGEDVTPPSAPGSPAVRDVTSTSAVLTWSASSDTGGSGVAGYDVFLRAGTGQEQKVGSTTRTSFTLTGLEPDTTYIAAVVARDNAGNVSQRSTVSFTTLAENGGGPDASCTVGYSTNDWDSGFTASIRITYHGTAPLSSWELSFTFPAGQQVTHGWNATWRQDGAAVTATPMSWNSSLAPGATVEVGFNGSWSGSNTPPTDFTLNGEPCALA,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,-0.1567672219019906,,s_0e997f70382eb1f8c86d7e42,test
catpreddb_km_km_c359b442017014,catpred_iteration1_km,km,O64437,O64437,MFIESFRVESPHVRYGAAEIESDYQYDTTELVHESHDGASRWIVRPKSVRYNFRTTTTVPKLGVMLVGWGGNNGSTLTAGVIANREGISWATKDKVQQANYYGSLTQASTIRVGSYNGEEIYAPFKSLLPMVNPDDLVFGGWDISNMNLADAMTRAKVLDIDLQKQLRPYMESMVPLPGIYDPDFIAANQGSRANNVIKGTKKEQMEQIIKDIREFKEKSKVDKVVVLWTANTERYSNVCVGLNDTMENLLASVDKNEAEISPSTLYAIACVMEGIPFINGSPQNTFVPGLIDLAIKNNCLIGGDDFKSGQTKMKSVLVDFLVGAGIKPTSIVSYNHLGNNDGMNLSAPQTFRSKEISKSNVVDDMVSSNAILYELGEHPDHVVVIKYVPYVGDSKRAMDEYTSEIFMGGKSTIVLHNTCEDSLLAAPIILDLVLLAELSTRIQLKAEGEEKFHSFHPVATILSYLTKAPLVPPGTPVVNALAKQRAMLENIMRACVGLAPENNMILEYK,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3124399997553919,,s_412c330e5a4ac7faa11fcc10,test
catpreddb_km_km_c37c03b789162d,catpred_iteration1_km,km,Q70FD1,Q70FD1,MTDYIPTFRFDGHLTIVTGACGGLAEALIKGLLAYGSDIALLDIDQEKTAAKQAEYHKYATEELKLKEVPKMGSYACDISDSDTVHKVFAQVAKDFGKLPLHLVNTAGYCENFPCEDYPAKNAEKMVKVNLLGSLYVSQAFAKPLIKEGIKGASVVLIGSMSGAIVNDPQNQVVYNMSKAGVIHLAKTLACEWAKYNIRVNSLNPGYIYGPLTKNVINGNEELYNRWISGIPQQRMSEPKEYIGAVLYLLSESAASYTTGASLLVDGGFTSW,OCC1(O)OC[C@H](O)[C@H]1O,OCC1(O)OC[C@H](O)[C@H]1O,OCC1(O)OC[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9822712330395684,,s_a843d0660fbde59f70dcb9df,test
catpreddb_km_km_c396f14b8e480d,catpred_iteration1_km,km,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,N=c1nc(O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1O,N=c1nc(O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1O,N=c1nc(O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1O>>,public_strict_iteration1_fulltrue_msa,,-1.254144804826271,,s_205b4fb49279b335382e3627,test
catpreddb_km_km_c399a79091d076,catpred_iteration1_km,km,D1C7Y4,D1C7Y4,MTERLTSPPATRVEPVTEVLHGHTIVDPYRWLEDDESPETRAWVDAQNAYTRRVLDASPSHARIRARLETLLSIGDISAPVMRGERAFFLRREGYENQPKLYLREGDSERVLLDPNQESAEGTTALDWWYPSPDGTLVAFGYSQDGDEESVLQVLDVARDTLLAERIDRTRFCSLAWLPDASGFYYTRYPQPGEVPPGEERYHRKVFFHRLGDDPAADPLVFGDGLPAEAQPHVRLSRDGRWLIVTVSHGWARADLYLHDRTRPEAGFIPVFVEEEALVEGFVHRGQLYLLTNLDAPRYRLLAVDPERPERQHWREIIAEPEEARIEQVVPVGDRLVVQTLVRATSRLTLHDLDGRPVSTLDLPGLGTVSGLNAESEGDRAFFRFESFTVPPTVFQCDTASGRITEWAAVEAPIDPAAYTTEQVWYRSADGTLVSMFIVARAGTPRDGSAPALLTGYGGFNISRTPLFDRRMFFWLEQGGVYALPNLRGGGEYGEEWHRAGMRERKQNVFDDFIAAAEYLIAEGYTRPERLAILGGSNGGLLVGAAMTQRPDLFRAVVCQVPLLDMLRYHRFLIARLWIPEYGSADDPEQFAYLYAYSPYHRVEDGTPYPAVLLTTATSDTRVAPLHARKMAARLQAATGSDLPVLLRVETAAGHGAGKPLGKQIAEQTDIWTFVCDQLGVTVA,O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1,O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1,O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C(=O)CN=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_6acae0c283175e15d0d1aa56,test
catpreddb_km_km_c3b88e87ab718f,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.1191864077192086,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_c3c0bb747eca33,catpred_iteration1_km,km,C8CJG6,C8CJG6,MFYMTAQDYSVFDVVVVGSGAAGMVAALTAAHQGLSTVVVEKAPHYGGSTARSGGGVWIPNNEVLQRDGVKDTAAEARKYLHAIIGDVVPAEKIDTYLDRSPEMLSFVLKNSPLKLCWVPGYSDHYPETPGGKATGRSVEPKPFNAKKLGPDEKGLEPPYGKVPLNMVVLQQDYVRLNQLKRHPRGVLRSIKVGVRSVWANATGKNLVGMGRALIAPLRIGLQKAGVPVLLNTALTDLYIEDGVVRGIYVREAGAPESAEPKLIRARRGVILGSGGFEHNQEMRTKYQRQPITTEWTVGAVANTGDGILAAEKLGAALELMEDAWWGPTVPLEGAPWFALSERNSPGSIIVNMNGKRFMNESMPYVEACHHMYGGQYGQGAGPGENVPAWMIFDQQYRDRYIFAGLQPGQRIPKKWMESGIIVKADSLAELAEKTGVAADALKATIERFNGFARSGVDEDFHRGESAYDRYYGDPTNKPNPNLGEIKHGPFYAAKMVPGDLGTKGGIRTDVHGRALRDDNSVIEGLYAAGNVSSPVMGHTYPGPGGTIGPAMTFGYLAALHLAGKA,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_b5ac5daf98080f0adc396a85,test
catpreddb_km_km_c3c22656f180c3,catpred_iteration1_km,km,P00557,P00557,MKKPELTATSVEKFLIEKFDSVSDLMQLSEGEESRAFSFDVGGRGYVLRVNSCADGFYKDRYVYRHFASAALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLPETELPAVLQPVAEAMDAIAAADLSQTSGFGPFGPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNNVLTDNGRITAVIDWSEAMFGDSQYEVANIFFWRPWLACMEQQTRYFERRHPELAGSPRLRAYMLRIGLDQLYQSLVDGNFDDAAWAQGRCDAIVRSGAGTVGRTQIARRSAAVWTDGCVEVLADSGNRRPSTRPRAKE,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2083202536691404,,s_eac8227e88a870211484bad2,test
catpreddb_km_km_c3cc26815c5c75,catpred_iteration1_km,km,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O=C(O)/C=C(/CCCCC(=O)O)C(=O)O,O=C(O)/C=C(/CCCCC(=O)O)C(=O)O,O=C(O)/C=C(/CCCCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4436974992327127,,s_d45e89fa98a913150cf54b5f,test
catpreddb_km_km_c3db95f013477f,catpred_iteration1_km,km,P71447,P71447,MFKAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLADKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLEKMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSYYTLEFLKEVWLQKQK,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,1.155336037465062,,s_a76484e5b19a83bd01990ff4,test
catpreddb_km_km_c3ddd2e646cd0d,catpred_iteration1_km,km,Q6IP81,Q6IP81,MADPSSFASPEKFNIKHMHLKLHVDFTSRAIAASTSLTVRSLQDSLASLILDTKDLTIKKVAVNGKDATFALGTTHSFKGTPLEITLPFSLTRGQEVIVEIDSVTSPKSSALQWLNKEQTAGKIHPYLFSQCQATHCRSIIPCQDTPSVKFTYYSQVSVPKELMALMSALRDGELSEQSDSNRKIYRFKQNVPIPSYLIALVVGALEGRKVGPRTTIWTEKELLEPSVYEFAETEKMLKYAEDLAGPYVWGQYDLLILPPSFPYGGMENPCLTFVTPTVLAGDRSLASVIAHEISHSWTGNLVTNETWENFWLNEGHTVYLERRIDGRLYGEEFRQFKALGGWKELQNSVNTFGATNPLTNLVPNLHEVDVDAAFSSVPYEKGFALLFYLEQLLGGPEIFLGFLKSYIQMFAFKSVTTEEWKKFLYSYFKDKVDILDKVDWKGWMHTPGMPPVQPKYDMTLANACITLGQKWVKATESDLGSFSADDVKDLSSHQLIEVLAILLLEKPLPVSHVKRMQEVYNLNDVKNSEIRFRWLRLCIRAGWEDVIPLALAMATEQGRMKFTRPLYRDLYNFEKAREQTVNTFLKNRSFMHPVTEMLVAKDLHISAS,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O,CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@H]1CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_075ae610bc9a7e816aa16a6b,test
catpreddb_km_km_c3f921f1ea4b9c,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCc1ccccn1,NCCc1ccccn1,NCCc1ccccn1>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_c40d3fe5ee7f9d,catpred_iteration1_km,km,A2RU49,A2RU49,MSSGNYQQSEALSKPTFSEEQASALVESVFGLKVSKVRPLPSYDDQNFHVYVSKTKDGPTEYVLKISNTKASKNPDLIEVQNHIIMFLKAAGFPTASVCHTKGDNTASLVSVDSGSEIKSYLVRLLTYLPGRPIAELPVSPQLLYEIGKLAAKLDKTLQRFHHPKLSSLHRENFIWNLKNVPLLEKYLYALGQNRNREIVEHVIHLFKEEVMTKLSHFRECINHGDLNDHNILIESSKSASGNAEYQVSGILDFGDMSYGYYVFEVAITIMYMMIESKSPIQVGGHVLAGFESITPLTAVEKGALFLLVCSRFCQSLVMAAYSCQLYPENKDYLMVTAKTGWKHLQQMFDMGQKAVEEIWFETAKSYESGISM,NC[C@@H](O)CC[C@H](N)C(=O)O,NC[C@@H](O)CC[C@H](N)C(=O)O,NC[C@@H](O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3360141881884946,,s_dd249254cd4a1f1e10d048d7,test
catpreddb_km_km_c4116fea349913,catpred_iteration1_km,km,P58795,P58795,MTKVLVLYYSSYGHIETMAYAVAEGVESTGAEAVVKRVPELVPEEVAKSSHFKMDQPAPVATVDELAEYDAIIVGAGTRFGTVASQMRNFWDQTGGLWFSGKLVGKVGSAFTSSATQHGGQESTILGFIPTFLHHGMAVVGLPYAFQGQMGVDEIKGGSPYGASTITDGDGSRQPSAIELDAARYQGAHVAKLAAKLSA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_4c96caaf4c01798e4214903b,test
catpreddb_km_km_c4498bdb6b1e32,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,O=C1C=CC(=O)c2c(O)cccc21,O=C1C=CC(=O)c2c(O)cccc21,O=C1C=CC(=O)c2c(O)cccc21>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_c4500b66e44945,catpred_iteration1_km,km,O64530,O64530,MASTLFSRTFLAASHRLITPSLPQKIFNPATFLSRSLHSQLGSASTAYKSTTWARRAMASTGVETKAGYSTSSVSTSEPVVSVDWLHANLREPDLKILDASWYMPDEQRNPIQEYQVAHIPRALFFDLDGISDRKTSLPHMLPTEEAFAAGCSALGIDNKDEVVVYDGKGIFSAARVWWMFRVFGHEKVWVLDGGLPRWRASGYDVESSASGDAILKASAASEAIEKIYQGQTVSPITFQTKFQPHLVWTLDQVKNNMEDPTYQHIDARSKARFDGTAPEPRKGIRSGHIPGSKCIPFPQMFDSCNTLLPAEELKKRFDQEDISLDKPIMASCGTGVTACILAMGLHRLGKTDVPIYDGSWTEWATQPDLPIESVESSS,O=C(O)C(=O)CS,O=C(O)C(=O)CS,O=C(O)C(=O)CS>>,public_strict_iteration1_fulltrue_msa,,0.8047972046126101,,s_e5519e2cd7d384381c51c0fd,test
catpreddb_km_km_c499005f3b3a24,catpred_iteration1_km,km,Q9FUY7,Q9FUY7,MMMKISFNTCFQILLGFIVFIASITLLGRIFSRPSKTKDRCRQLPPGRPGWPILGNLPELIMTRPRSKYFHLAMKELKTDIACFNFAGTHTITINSDEIAREAFRERDADLADRPQLSIVESIGDNYKTMGTSSYGEHFMKMKKVITTEIMSVKTLNMLEAARTIEADNLIAYIHSMYQRSETVDVRELSRVYGYAVTMRMLFGRRHVTKENMFSDDGRLGKAEKHHLEVIFNTLNCLPGFSPVDYVDRWLGGWNIDGEEERAKVNVNLVRSYNNPIIDERVEIWREKGGKAAVEDWLDTFITLKDQNGNYLVTPDEIKAQCVEFCIAAIDNPANNMEWTLGEMLKNPEILRKALKELDEVVGKDRLVQESDIRNLNYLKACCRETFRIHPSAHYVPPHVARQDTTLGGYFIPKGSHIHVCRPGLGRNPKIWKDPLAYEPERHLQGDGITKEVTLVETEMRFVSFSTGRRGCVGVKVGTIMMAMMLARFLQGFNWKLHRDFGPLSLEEDDASLLMAKPLLLSVEPRLASNLYPKFRP,CSCCCCCCCC(N)C(=O)O,CSCCCCCCCC(N)C(=O)O,CSCCCCCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4271283977995198,,s_288feb46e99335d506565a69,test
catpreddb_km_km_c4ab45343e0695,catpred_iteration1_km,km,P22243,P22243,MALRITPVTLQSERYRSFSFPKKANLRSPKFAMASTLGSSTPKVDNAKKPFQPPREVHVQVTHSMPPQKIEIFKSIEGWAEQNILVHLKPVEKCWQAQDFLPDPASEGFDEQVKELRARAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAVWTRAWTAEENRHGDLLHTYLYLSGRVDMRQIQKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFVSHGNTARHAKDHGDVKLAQICGTIASDEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFEHFSAVAQRLGVYTAKDYADILEFLVGRWKVADLTGLSGEGRKAQDYVCGLPPRIRRLEERAQGRAKEGPVVPFSWIFDRQVKL,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_b893464d5f7c257bff8216c6,test
catpreddb_km_km_c4bd3ffa0d1673,catpred_iteration1_km,km,Q9KQ59,Q9KQ59,MFKSQTAILPEAGPFALYTLLKVRQNHAHVLQALKALPALVEEINQNQPGAELTVSVAFSKGFWSHFEMASPPELIDFPELGEGETHAPSTDVDVLIHCHATRHDLLFYTLRKGISDIAQDIEIVDETYGFRYLDARDMTGFIDGTENPKAEKRAEVALVADGDFAGGSYVMVQRFVHNLPAWNRLNLAAQEKVIGRTKPDSVELENVPAASHVGRVDIKEEGKGLKIVRHSLPYGSVSGDHGLLFIAYCHTLHNFKTMLESMYGVTDGKTDQLLRFTKAVTGAYFFAPSQVMLQELTLKNQ,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_3cbca65e461c0a174ffca49a,test
catpreddb_km_km_c4c74d4f84dbf5,catpred_iteration1_km,km,A5JTV4,A5JTV4,AITRRVACLDGVNTATNAACCALFAVRDDIQQNLFDGGECGEEVHESLRLTFHDAIGISPSLAATGKFGGGGADGSIMIFDDIEPNFHANNGVDEIINAQKPFVAKHNMTAGDFIQFAGAVGVSNCPGAPQLSFFLGRPAATQPAPDGLVPEPFDSVTDILNRFADAGGFTTQEVVWLLASHSIAAADHVDPTIPGSPFDSTPEIFDTQFFVETLLKGTLFPGTSGNQGEVESPLAGEIRLQSDADFARDSRTACEWQSFVNNQPRMQVLFKAAMQKLSILGHDLTQMIDCSDVIPVPPSTAVRGSHLPAGNTLDDIEQACASTPFPSLTADPGPATSVAPVPPS,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_ba4ab0237d968158eaf62550,test
catpreddb_km_km_c4d2175689d06b,catpred_iteration1_km,km,G1U5X6,G1U5X6,MALAISAARVWGPRRQAVPLLLRQLGARGLTRSQLPRWQQQQQFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYQSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALENTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDRGKGRQMPVHYGCKERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGIMSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHFLLSRGWWDEEQEKAWRKQSRKKVMEAFEQAERKLKPSPSLLFSDVYQEMPPQLRKQQESLARHLQTYGEHYPLDHFDK,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1456939581989194,,s_e20fe1e71bdaa77d152d5f75,test
catpreddb_km_km_c4dbaa452a01d1,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,CCC(=O)C(=O)O,CCC(=O)C(=O)O,CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.658964842664435,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_c4ef98958ca5bf,catpred_iteration1_km,km,Q99Z67,Q99Z67,MAKQYKNLVNGEWKLSENEITIYAPATGEELGSVPAMTQAEVDAVYASAKKALSDWRALSYVERAAYLHKAADILVRDAEKIGAILSKEVAKGHKAAVSEVIRTAEIINYAAEEGLRMEGEVLEGGSFEAASKKKIAIVRREPVGLVLAISPFNYPVNLAGSKIAPALIAGNVVALKPPTQGSISGLLLAEAFAEAGIPAGVFNTITGRGSVIGDYIVEHEAVSFINFTGSTPIGEGIGKLAGMRPIMLELGGKDSAIVLEDADLALAAKNIVAGAFGYSGQRCTAVKRVLVMDKVADQLAAEIKTLVEKLSVGMPEDDADITPLIDTSAADFVEGLIKDATDKGATALTAFNREGNLISPVLFDHVTTDMRLAWEEPFGPVLPIIRVTTVEEAIKISNESEYGLQASIFTTNFPKAFGIAEQLEVGTVHLNNKTQRGTDNFPFLGAKKSGAGVQGVKYSIEAMTTVKSVVFDIQ,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1765257708296989,,s_89298c75d444ed32e558ce54,test
catpreddb_km_km_c5050928eecf50,catpred_iteration1_km,km,P74334,P74334,MVTSPPTSSPSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIGDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRGVFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSNLATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSSTLTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEKQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESGTETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILDAQDITAPAIATLKLKHHIPYPLHGSWAQT,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)C=O)C(C)(C)C[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-2.5850266520291822,,s_70ae931ba6eb5833a7ffc65c,test
catpreddb_km_km_c51f7fb743aaa7,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,O=c1ccc2ccc(O)cc2o1,O=c1ccc2ccc(O)cc2o1,O=c1ccc2ccc(O)cc2o1>>,public_strict_iteration1_fulltrue_msa,,-0.4698003017969178,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_c522117b389091,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_c53047b70343ff,catpred_iteration1_km,km,Q79FV4,Q79FV4,MRSRQTRDRYRLLPEGYQVTPGRNRHPGTMVGNTPVLWIPELSGTSDPDRGFWAKLEGFNPGGMKDRPALYMVECARARGDIAPGAAIVESTGGTLGLGLALAGKVYRHPVTLVTDPGLEPIIARMLTAYGAGVDMVTQPHPVGGWQQARKDRVAQLMAEYPGAWNPNQYGNPDNVGAYRSLALELVAQLGRIDVLVCSVGTGGHSAGVARVLREFNPDMRLIGVDTIGSTIFGQPASNRLMRGLGSSIYPRNVDYRAFDEVHWVAPPEAVWACRSLAATHYASGGWSVGAVALVAGWAARNLPADTTIAAVFPDGPQRYFDTIYNDAYCNEHELLGGQPPTEPDEIASPLDAVVTRWTRSTTVIDPTQVVS,O=S([O-])([O-])=S,O=S([O-])([O-])=S,O=S([O-])([O-])=S>>,public_strict_iteration1_fulltrue_msa,,-0.891837860656666,,s_6290ac0913cc53eba61e3fff,test
catpreddb_km_km_c54541d0f6ea77,catpred_iteration1_km,km,Q2KIN2,Q2KIN2,MTAGRLYLRLLRAPSKFMVQRLLEGVPPSRGLHAGRGPRRLSVEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNVLAAGSQKAGAATSLGNLLDMMYQEPARWSYTFQTFSFLSRLKVQLEPFPEKLLAVGRAVQIFERSVYSDRYIFAKTLFENGSLSDIEWHIYQDWHYFLLQEFASRLRLHGFIYLQAAPQVCLKRLQRRARQEEKEVELAYLEQLHGQHEAWLVHKTTPLHSEALLNIPVLVLDVNDDFSEEVTIQEELMRRVNTFVKNL,Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1>>,public_strict_iteration1_fulltrue_msa,,-1.0705810742857071,,s_7bedb8ca227493a3a288bf3a,test
catpreddb_km_km_c56bb16603b1bd,catpred_iteration1_km,km,C3UVB0,C3UVB0,MDFNLSKELQMLQKEVRNFVNKKIVPFADQWDNENHFPYEEAVRPMGELGFFGTVIPEEYGGEGMDQGWLAAMIVTEEIARGSSALRVQLNMEVLGCAYTILTYGSEALKKKYVPKLSSAEFLGGFGITEPDAGSDVMAMSSTAEDKGDHWLLNGSKTWISNAAQADVLIYYAYTDKAAGSRGLSAFVIEPRNFPGIKTSNLEKLGSHASPTGELFLDNVKVPKENILGKPGDGARIVFGSLNHTRLSAAAGGVGLAQACLDAAIKYCNERRQFGKPIGDFQMNQDMIAQMAVEVEAARLLAYKAAAAKDEGRLNNGLDVAMAKYAAGEAVSKCANYAMRILGAYGYSTEYPVARFYRDAPTYYMVEGSANICKMIIALDQLGVRKANR,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.279860393382206,,s_022614515dc223ed0a15777a,test
catpreddb_km_km_c56ee02c78dc62,catpred_iteration1_km,km,A0A9R0J2J0,A0A9R0J2J0,MKSIPLILMGCGGVGRQLLQHIVSCRLIHANLHGVRLRVVGVADSKSLLSVPDIFTTELDDNSINEICRLKSNGSSLSSLTSYGAYQVFSNSETITNISEIASHLVRSTGLAVVDCSASSDTIGILQKVVEMNGCIVLANKKPLTSSMENYDKLVLHPHRLRHESTVGAGLPVIVSINRLLSSGDTIHRIVGSLSGTLGYVMSEVEDGKPLSEVVKTAKALGYTEPDPRDDLGGMDVARKALIIARLLGQRIELDSIKVESLYPAEMGPNVMNVEEFLATGVPQLDNNLADRVEKAATNGNVLRYVCVIEGSRCEVGIQEVPKNSALGRLRGSDNVVEVYSRCYSEQPLIIQGAGAGNDTTAAGVLADILDIQDLFT,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_ac300403574b680dbb9f32d5,test
catpreddb_km_km_c5776cb2156304,catpred_iteration1_km,km,Q46FL0,Q46FL0,MLNDKQSVENIPRILISADRSSSGKTTISMGLMAALVSRGYKVQPFKVALDYIDPSYHTEITGRFCRNLDGYLMDENGILDVYTHACEAGEKADIAIIEGVRGLYEGFESLSDLGSTAQIAKILNCPVIFVINARSITRSSAALINGYRNFDPDVEIAGVILNNIGSRRHAKKAKEAIEYYTGVPVIGIVPRDPAMQISMRHLGLMPALEGRRRLGDGGFEARLRGIEEIINKGIDVDRFMEIAKSAKALKSPENSVFSSVSDPGAPRPKIGVALDEAFNFYYRDNIDLLNLAGAEIVYFSPVKDASLPEVDGLYIGGGYPELFAAELEANESMRQDIKKASAAGMPIYAECGGLMYLTEKISTGVPGKGTYHDASMPESTYSMVGALPGHTIMGQTRVVSYNIGTLNKDCLLGKKYNSFKGHEFHHSEIREIPEDAEFAITLSRGTGIKNGMDGLISGNTLGSYAHLHGVAYREFASSLVEAARNFRDSRVLP,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.5528419686577808,,s_46ec1531f93f949facc56420,test
catpreddb_km_km_c5846fb398ffac,catpred_iteration1_km,km,Q9LDV4,Q9LDV4,MRRFLINQAKGLVDHSRRQHHHKSPSFLSPQPRPLASSPPALSRFFSSTSEMSASDSTSSLPVTLDSINPKVLKCEYAVRGEIVNIAQKLQEDLKTNKDAYPFDEIIYCNIGNPQSLGQLPIKFFREVLALCDHASLLDESETHGLFSTDSIDRAWRILDHIPGRATGAYSHSQGIKGLRDVIAAGIEARDGFPADPNDIFLTDGASPAVHMMMQLLLSSEKDGILSPIPQYPLYSASIALHGGSLVPYYLDEATGWGLEISDLKKQLEEARSKGISVRALVVINPGNPTGQVLAEENQRDIVNFCKQEGLVLLADEVYQENVYVPDKKFHSFKKVARSLGYGEKDISLVSFQSVSKGYYGECGKRGGYMEVTGFTSDVREQIYKMASVNLCSNISGQILASLVMSPPKPGDDSYDSYMAERDGILSSMAKRAKTLEDALNSLEGVTCNRAEGAMYLFPRINLPQKAIEAAEAEKTAPDAFYCKRLLNATGVVVVPGSGFGQVPGTWHFRCTILPQEDKIPAIVNRLTEFHKSFMDEFRN,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O,C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.0170333392987805,,s_66aaf18e02944085544f36fc,test
catpreddb_km_km_c58e587f1b8c84,catpred_iteration1_km,km,P50281,P50281,MSPAPRPPRCLLLPLLTLGTALASLGSAQSSSFSPEAWLQQYGYLPPGDLRTHTQRSPQSLSAAIAAMQKFYGLQVTGKADADTMKAMRRPRCGVPDKFGAEIKANVRRKRYAIQGLKWQHNEITFCIQNYTPKVGEYATYEAIRKAFRVWESATPLRFREVPYAYIREGHEKQADIMIFFAEGFHGDSTPFDGEGGFLAHAYFPGPNIGGDTHFDSAEPWTVRNEDLNGNDIFLVAVHELGHALGLEHSSDPSAIMAPFYQWMDTENFVLPDDDRRGIQQLYGGESGFPTKMPPQPRTTSRPSVPDKPKNPTYGPNICDGNFDTVAMLRGEMFVFKERWFWRVRNNQVMDGYPMPIGQFWRGLPASINTAYERKDGKFVFFKGDKHWVFDEASLEPGYPKHIKELGRGLPTDKIDAALFWMPNGKTYFFRGNKYYRFNEELRAVDSEYPKNIKVWEGIPESPRGSFMGSDEVFTYFYKGNKYWKFNNQKLKVEPGYPKSALRDWMGCPSGGRPDEGTEEETEVIIIEVDEEGGGAVSAAAVVLPVLLLLLVLAVGLAVFFFRRHGTPRRLLYCQRSLLDKV,COc1ccc2c(CC(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)cc(=O)oc2c1,COc1ccc2c(CC(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)cc(=O)oc2c1,COc1ccc2c(CC(=O)N3CCC[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(O)=N[C@@H](CCCNC(=N)N)C(=N)O)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-2.0228787452803374,,s_5f83c7ecb5c2eb7ffdf8d83f,test
catpreddb_km_km_c592ebb64f70fa,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN([C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,NC(=O)C1=CN([C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,NC(=O)C1=CN([C@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.1191864077192086,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_c5a45ad877e4ec,catpred_iteration1_km,km,Q95JH4,Q95JH4,MDPKYQRVALNDGHFMPVLGFGSYAPPEVPRNRVVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFRPQLVQPALESSLKKLQLDYVDLYLIHFPMALKPGETPLPKDENGKVMFDTVDLCAIWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNNPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDQNSPALLEDPVLCALAKKHKRSPALIALRYQLQRGVVVLAKSYNEQRIRENVQVFEFQLTSEDMKVLDDLNRNFRYVVMDFLVDHPDYPFSDEY,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21,O[C@H]1CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.3767507096020995,,s_1f9dafe578e10e0347c193ca,test
catpreddb_km_km_c5ac02ef64060d,catpred_iteration1_km,km,I3EBM6,I3EBM6,MPLVSMTEMLNKAKAEGYAVGQFNLNNLEFTQAILLAAEEEKSPVILGVSEGAGRYMGGFKTVVNMVKGLMEDYKITVPVAIHLDHGSSFEKCKEVIDAGFTSVMIDASHHPFEENVEVTKKVVEYAHARGVSVEAELGTVGGQEDDVIADGVIYADPKECEELVKRTGIDCLAPALGSVHGPYKGEPNLGFKEMEEIGRITGVPLVLHGGTGIPTKDIQRAISLGTAKINVNTENQIASAKKVREVLAENPNMYDPRKYLGPARDAIKETVIGKMREFGSSGKA,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2365720064370627,,s_dfd08d794d93cb583b2aee40,test
catpreddb_km_km_c5c3ab85584dd1,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,O=C1C=CC(=O)c2ccccc21,O=C1C=CC(=O)c2ccccc21,O=C1C=CC(=O)c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.9034377008227688,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_c5ca48793682d6,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](C)N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3098943791441968,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_c5e5e9565b95d6,catpred_iteration1_km,km,Q3ZFI4,Q3ZFI4,MASSLKKLITSFLLFFFYTIIVASSEPSCRRYKSIISFGDSIADTGNYLHLSDVNHPPQAAFLPYGETFFSVPTGRDSDGRLIIDFIAEFLGLPYVPPYFGSQNVSFEQGVNFAVYGATALDRAFFIEKGIVSDFTNVSLSVQLNTFKQILPTLCASSSRDCREMLGDSLILMGESGGNDYNYPFFEDKSINEIKELTPLIIKAISDAIVDLIDLGGKTFLVPGSFPVGCSAAYLTLFQTAKEKDYDPLTGCLPWLNDFGKHHDEQLKTEIRRLRKLYPHVNIMYADYYNSLYRLYQKPTKYGFKNRPLAACCGVGGQYNFTIGEECGYEGVGYCQNPSEYINWDGYHITEAAHQKMAHGILNGPYATPAFNWSCLDAASVDNESSFGS,COc1ccc(/C=C/C(=O)OCC[N+](C)(C)C)cc1O,COc1ccc(/C=C/C(=O)OCC[N+](C)(C)C)cc1O,COc1ccc(/C=C/C(=O)OCC[N+](C)(C)C)cc1O>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_0d1c5c7c65b126e6daf574bd,test
catpreddb_km_km_c60d317addd4b8,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,CCN(CC)C(=S)S,CCN(CC)C(=S)S,CCN(CC)C(=S)S>>,public_strict_iteration1_fulltrue_msa,,-1.9208187539523751,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_c61066c809df5b,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(C)CCC(O)=NCC(=O)O,CC(C)CCC(O)=NCC(=O)O,CC(C)CCC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_c61241ccf73533,catpred_iteration1_km,km,D1L8A9,D1L8A9,MGSEGSVKTMNITVRDSSMVQPAKNTPEKKLWNSNLDLVVGRIHILTVYFYRSNGSQNFFEPRVLKEALSNVLVSFYPMAGRLGKDDEGRVEINCNGEGVLFVEAESDCCVDDFGDFTPSSEMRRLTPTVDYSGAISSYPLIILQVTYFKCGGVSLGVGVHHTLSDGVSSLHFINTWSDMARGLSIAIPPFIDRTLLRPRIPPTPTFDHVEYHPPPSMITKPLSGPKGVSTAILKLSLDQLTTLKAKAKNEGNGKDHSTYEILAAHLWRCACKARDLSPNQTSKLYIATDGRSRLCPPLPPGYLGNVVFTATPMAESGDLQVEPVTSTAKRIHNSLTRMDNEYLRSALDFLETTPDLKTLVRGPNYFASPNLNINSWTRLPVHDADFGWGRPIFMGPASILYEGTIYIIPSTTNDRSLSLAVCLDAGHMARFEKCLYEF,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.532243948755967,,s_819ec7d199f125325da247a2,test
catpreddb_km_km_c620265784f250,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,CSCCC(N)C(=O)O,CSCCC(N)C(=O)O,CSCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_482422f32efc21500360d70c,test
catpreddb_km_km_c6592c2cf360fc,catpred_iteration1_km,km,D4GR05,D4GR05,MTAELVTFGETMIRLSPPEGERIETARSLEFRTAGAESNVAVAASRLGCSAAWLSKLPDSPLGRRVTTELRTHGVEPYVRWDDDARQGAYYIEQGRAPRPTNVIYDRADAAVTTARPDELAVDIVEDAAAFYTSGITPALSETLRETTGELLQTATEAGTTTAFDLNYRSKLWSPSDARDACESLFPKVDVLVAAERDIRAVLELDGDAPTLASELAGDFDFETVVVTRGEDGALARHGGTVYEQPVFETDTVDAIGTGDAFVGAFLSRLIAGEPVETALAYGAATAALKRTVHGDLAVVTPDEVERVLRGGDAGIDR,O=C(O)C(=O)C[C@@H](O)[C@H](O)CO,O=C(O)C(=O)C[C@@H](O)[C@H](O)CO,O=C(O)C(=O)C[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_23723ed579b05be4546284e4,test
catpreddb_km_km_c663215129fc1e,catpred_iteration1_km,km,A8BB85,A8BB85,MSAGKTVVIALGGNAMLQAKEKGDYDTQRKNVEIAASEIYKIHKAGYKVVLTSGNGPQVGAIKLQNQAAAGVSPEMPLHVCGAMSQGFIGYMMSQAMDNVFCANNEPANCVTCVTQTLVDPKDQAFTNPTKPVGRFYTEQEAKDLMAANPGKILREDAGRGWRVVVPSPRPLEIVEYGVIKTLIDNNVLVICTNGGGIPCKRENKVISGVDAVIDKDLATSLLAKTLNSDYLMILTDVLNACINYKKPDERKLEEIKLSEILALEKDGHFAAGSMGPKVRAAIEFTQATGKMSIITSLSTAVDALNGKCGTRIIKD,N=C(O)OP(=O)(O)O,N=C(O)OP(=O)(O)O,N=C(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0705810742857071,,s_72c06ac273d521cddbd7338f,test
catpreddb_km_km_c669d949675c75,catpred_iteration1_km,km,Q9ZBA9,Q9ZBA9,MSKFDTSALEAFVRHIPQNYKGPGGVVAVVKDGEVVLQHAWGFADLRTRTPMTLDTRMPICSVSKQFTCAVLLDAVGEPELLDDALEAYLDKFEDERPAVRDLCNNQSGLRDYWALSVLCGADPEGVFLPAQAQSLLRRLKTTHFEPGSHYSYCNGNFRILADLIEAHTGRTLVDILSERIFAPAGMKRAELISDTALFDECTGYEGDTVRGFLPATNRIQWMGDAGICASLNDMIAWEQFIDATRDDESGLYRRLSGPQTFKDGVAAPYGFGLNLHETGGKRLTGHGGALRGWRCQRWHCADERLSTIAMFNFEGGASEVAFKLMNIALGVSSSEVSRVEADSAWFGSWLDDETGLVLSLEDAGHGRMKARFGTSPEMMDVVSANEARSAVTTIRRDGETIELVRASENLRLSMKRVKGEAKHDIIGRYHSDELDADLLLVSEGGAIYGAFEGFLGKSDMYPLYSVGSDVWLLPVQRSMDAPSPGEWKLVFRRDDKGEITGLSVGCWLARGVEYRRVQP,NCC(N)=O,NCC(N)=O,NCC(N)=O>>,public_strict_iteration1_fulltrue_msa,,1.3483048630481609,,s_f9b363a235cbf81d687bb5d3,test
catpreddb_km_km_c69e87182559a1,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,C[C@](O)(C(=O)O)[C@@H](CC(=O)O)C(=O)O,C[C@](O)(C(=O)O)[C@@H](CC(=O)O)C(=O)O,C[C@](O)(C(=O)O)[C@@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9829666607012196,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_c69fab1c3c0fa5,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CCCCCc1ccccc1,O=C(O)CN=C(O)CCCCCc1ccccc1,O=C(O)CN=C(O)CCCCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.2924298239020635,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_c6b6c17ebb1475,catpred_iteration1_km,km,A0A5H2WXM2,A0A5H2WXM2,MGSLSLSSVGLTMVCAPVMGESVDQVVEEMHKAKAQGADVVEVRLDCIKQFQAHQDLEIILKSKPLPVIIVYRPKCEGGLYEGDETARLEALRSALKLGADYVDFELKVAAELMSKQNKLHCGGTKVIVSCFLDGVTPSKEELSNLATHMKATGADIIKIVTSASNITELAGLFHLLSYSQMPVVAYAVGERGLISQLLSPKFGSTLVYGSIEGMAVPGLPTLESLRKTYKVEHINSDTTVFGLISKPVGHSKGPILHNPTLRHMNFNGLYVPMFVDNLKEFFEVYSTPDFAGFSVGFPYKEAVIQFCDEVHPLAQTIGAVNTIVRRPSDGKLIGYNTDCEASVTAMEDALQECRCINGEKSLVSPLAGKEFVLVGAGGAGRALAFGAKTRGARIIIFDIDFERAKMLAHAVSGEARPFGDLPYFQPEKGSILANATPIGMHPNKDRIPVSEASLGVFQLVFDAVYTPRKTTLLKEAEAAGAITVSGVEMFLRQAIGQFNLFTGGEAPKEFMREIVLAKF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.9913998282380824,,s_96f343a16d414342eb00f6c5,test
catpreddb_km_km_c6f1b1c7829194,catpred_iteration1_km,km,C5J3R6,C5J3R6,MATPTIKLNSGYDMPLVGFGLWKVNRETCADQVYEAIKAGYRLFDGACDYGNEVEAGQGVARAIKEGIVKREDLFIVSKLWNTFHEADKVEPIARKQLADWGLDYFDLYLIHFPIALKYVDPAEIYPPGWTGTKKEVEFSNATIQETWQAMETLVDKKLTRSIGISNFSAQLIMDLLRYARIRPATLQIEHHPYLTQQALVEYVQKEGIAVTAYSSFGPLSFLELGHQVAKDTPLLFEHSTVKSIAEKHGKTPAQVLLRWATQRNIAVIPKSNNPGRLAQNLDVTAWDLEPADIEALSALNKNLRFNNPPSYGLYIPIFA,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O,OC1OC[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.5775003294561425,,s_62555097f732fd455d7734ac,test
catpreddb_km_km_c7111e161705b9,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.6468863875720423,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_c71fa857c35be8,catpred_iteration1_km,km,Q92458,Q92458,MVNNAALLAALSALLPTALAQNNQTYANYSAQGQPDLYPETLATLTLSFPDCEHGPLKNNLVCDSSAGYVERAQALISLFTLEELILNTQNSGPGVPRLGLPNYQVWNEALHGLDRANFATKGGQFEWATSFPMPILTTAALNRTLIHQIADIISTQARAFSNSGRYGLDVYAPNVNGFRSPLWGRGQETPGEDAFFLSSAYTYEYITGIQGGVDPEHLKVAATVKHFAGYDLENWNNQSRLGFDAIITQQDLSEYYTPQFLAAARYAKSRSLMCAYNSVNGVPSCANSFFLQTLLRESWGFPEWGYVSSDCDAVYNVFNPHDYASNQSSAAASSLRAGTDIDCGQTYPWHLNESFVAGEVSRGEIERSVTRLYANLVRLGYFDKKNQYRSLGWKDVVKTDAWNISYEAAVEGIVLLKNDGTLPLSKKVRSIALIGPWANATTQMQGNYYGPAPYLISPLEAAKKAGYHVNFELGTEIAGNSTTGFAKAIAAAKKSDAIIYLGGIDNTIEQEGADRTDIAWPGNQLDLIKQLSEVGKPLVVLQMGGGQVDSSSLKSNKKVNSLVWGGYPGQSGGVALFDILSGKRAPAGRLVTTQYPAEYVHQFPQNDMNLRPDGKSNPGQTYIWYTGKPVYEFGSGLFYTTFKETLASHPKSLKFNTSSILSAPHPGYTYSEQIPVFTFEANIKNSGKTESPYTAMLFVRTSNAGPAPYPNKWLVGFDRLADIKPGHSSKLSIPIPVSALARVDSHGNRIVYPGKYELALNTDESVKLEFELVGEEVTIENWPLEEQQIKDATPDA,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_577e1452403bbeb8c4453dd0,test
catpreddb_km_km_c72169de5f4077,catpred_iteration1_km,km,O29610,O29610,MQYEKVKPPENGEKIRYENGKLIVPDNPIIPYFEGDGIGKDVVPAAIRVLDAAADKIGKEVVWFQVYAGEDAYKLYGNYLPDDTLNAIKEFRVALKGPLTTPVGGGYRSLNVTIRQVLDLYANVRPVYYLKGVPSPIKHPEKVNFVIFRENTEDVYAGIEWPRGSEEALKLIRFLKNEFGVTIREDSGIGIKPISEFATKRLVRMAIRYAIENNRKSVTLVHKGNIMKYTEGAFRDWGYEVAKQEFGEYCITEDELWDKYGGKQPEGKIVVKDRIADNMFQQILTRTDEYDVIALPNLNGDYLSDAAAALIGGLGIAPGSNIGDGIGVFEPVHGSAPKYAGQNKVNPTAEILTGALMFEYIGWKDASEMIKKAVEMTISSGIVTYDIHRHMGGTKVGTREFAEAVVENLQSL,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.628613941761934,,s_5d09c2f232622d7ffb91a1fc,test
catpreddb_km_km_c73dba4c1c20d4,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CCCC(=O)OCC[N+](C)(C)C,CCCC(=O)OCC[N+](C)(C)C,CCCC(=O)OCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-0.1778792070781356,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_c73e43aceed640,catpred_iteration1_km,km,P03956,P03956,MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](C)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](C)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5563025007672873,,s_9777b390daeddca2aa6c9052,test
catpreddb_km_km_c74207e3c9b022,catpred_iteration1_km,km,A0A4Y5R9F4,A0A4Y5R9F4,MAPSIFSDEPQHGNTTKPYSHDPSASTPASSQQNGNTPHDQNGSSCVVDKKKGRHAGAGHKSILQSDALYQYVLETSVYPRENPYQRELREITEKHPWNLMTTPPDEGQFLMLLMKLINAKNTMELGVYTGYSLLSTALALPDDGKIIAMDINRENYELGAPVIEKAGLSHKVDFREGLILPQLDEMLLEERNLGFFDFIFVDADKDNYVKYHERLIKLVKVGGVIGYDNTLWNGSLVAPEDAPYPKYICHYRPFVLELNRVLAGDKRIEISQVPIGDGLTLCRRIK,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.306178430819474,,s_99bb8b4a9f1f4ed06cb0729c,test
catpreddb_km_km_c747bcc8a5cf0c,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C,C[C@H](CCC(O)=NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.5898040223147685,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_c789930997594f,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)S)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)S)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)S)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_c79ff12f098cb1,catpred_iteration1_km,km,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.9100948885606018,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_km_km_c7a9e787ec8093,catpred_iteration1_km,km,Q9HGR3,Q9HGR3,MLPRTLLGLALTAATGLCASLQQVTNWGSNPTNIRMYTYVPDKLATKPAIIVALHGCGGTAPSWYSGTRLPSYADQYGFILIYPGTPNMSNCWGVNDPASLTHGAGGDSLGIVAMVNYTIAKYNADASRVYVMGTSSGGMMTNVMAATYPEVFEAGAAYSGVAHACFAGAASATPFSPNQTCARGLQHTPEEWGNFVRNSYPGYTGRRPRMQIYHGLADNLVYPRCAMEALKQWSNVLGVEFSRNVSGVPSQAYTQIVYGDGSKLVGYMGAGVGHVAPTNEQVMLKFFGLIN,COC(=O)/C=C/c1ccc(O)cc1,COC(=O)/C=C/c1ccc(O)cc1,COC(=O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_c30215f5949a041d7b73c98a,test
catpreddb_km_km_c7bd7d3751da84,catpred_iteration1_km,km,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_km_km_c7eab19a05d10c,catpred_iteration1_km,km,D4N500,D4N500,MEKAKLMKLGNGMEIPSVQELAKLTLAEIPSRYVCANENLLLPMGASVINDHETIPVIDIENLLSPEPIIGKLELDRLHFACKEWGFFQVVNHGVDASLVDSVKSEIQGFFNLSMDEKTKYEQEDGDVEGFGQGFIESEDQTLDWADIFMMFTLPLHLRKPHLFSKLPVPLRETIESYSSEMKKLSMVLFNKMEKALQVQAAEIKGMSEVFIDGTQAMRMNYYPPCPQPNLAIGLTSHSDFGGLTILLQINEVEGLQIKREGTWIAVKPLPNAFVVNVGDILEIMTNGIYHSVDHRAVVNSTNERLSIATFHDPSLESVIGPISSLITPETPALFKSGSTYGDLVEECKTRKLDGKSFLDSMRI,COC1=CC=C2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5,COC1=CC=C2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5,COC1=CC=C2C3Cc4ccc(O)c5c4C2(CCN3C)C1O5>>,public_strict_iteration1_fulltrue_msa,,-1.812479279163537,,s_e36fe41b61be86b8015e2b49,test
catpreddb_km_km_c8028340b38d4d,catpred_iteration1_km,km,P07824,P07824,MSSKPKPIEIIGAPFSKGQPRGGVEKGPAALRKAGLVEKLKETEYNVRDHGDLAFVDVPNDSPFQIVKNPRSVGKANEQLAAVVAETQKNGTISVVLGGDHSMAIGSISGHARVHPDLCVIWVDAHTDINTPLTTSSGNLHGQPVAFLLKELKGKFPDVPGFSWVTPCISAKDIVYIGLRDVDPGEHYIIKTLGIKYFSMTEVDKLGIGKVMEETFSYLLGRKKRPIHLSFDVDGLDPVFTPATGTPVVGGLSYREGLYITEEIYKTGLLSGLDIMEVNPTLGKTPEEVTRTVNTAVALTLSCFGTKREGNHKPETDYLKPPK,N=C(N)NCCCCN,N=C(N)NCCCCN,N=C(N)NCCCCN>>,public_strict_iteration1_fulltrue_msa,,1.0334237554869496,,s_58345ae90df4d9185ef408b3,test
catpreddb_km_km_c80920c8515f43,catpred_iteration1_km,km,Q05A13,Q05A13,MNSVADTAIFFGKFLYYFLESLVFKVIPKRKKDVSGEIVLITGAGSGLGRLLAIHFASHGATLVLWDINQEGNMETCRLVKQKGDVKVFAYKCDCSSRIEVYRVADQVKEEVGDVTILINNAGVVTGKSFLNTPDHLVEKSFLVNAISHFWTCKAFLPAMVKANHGHLVCISSIAGLVGINGLSDYSSSKFAAFGFAESLFLELTMIMKTKVKSTIVCPYFIKTGMFEGCTTKYPLLLPLLEQEYVAQKIFNAILEEQVYLIIPKFAYVALFLKQIISPKMMIALGEYLGVDTCMTSFTGRVKAEELQMETKRKEQ,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-3.0604807473813813,,s_80451f6193ec13c29c76f6e2,test
catpreddb_km_km_c82b239a2703ae,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(=O)c1ccccc1,CC(=O)c1ccccc1,CC(=O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.0453229787866574,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_c85002229d4463,catpred_iteration1_km,km,Q16820,Q16820,MDLWNLSWFLFLDALLVISGLATPENFDVDGGMDQDIFDINEGLGLDLFEGDIRLDRAQIRNSIIGEKYRWPHTIPYVLEDSLEMNAKGVILNAFERYRLKTCIDFKPWAGETNYISVFKGSGCWSSVGNRRVGKQELSIGANCDRIATVQHEFLHALGFWHEQSRSDRDDYVRIMWDRILSGREHNFNTYSDDISDSLNVPYDYTSVMHYSKTAFQNGTEPTIVTRISDFEDVIGQRMDFSDSDLLKLNQLYNCSSSLSFMDSCSFELENVCGMIQSSGDNADWQRVSQVPRGPESDHSNMGQCQGSGFFMHFDSSSVNVGATAVLESRTLYPKRGFQCLQFYLYNSGSESDQLNIYIREYSADNVDGNLTLVEEIKEIPTGSWQLYHVTLKVTKKFRVVFEGRKGSGASLGGLSIDDINLSETRCPHHIWHIRNFTQFIGSPNGTLYSPPFYSSKGYAFQIYLNLAHVTNAGIYFHLISGANDDQLQWPCPWQQATMTLLDQNPDIRQRMSNQRSITTDPFMTTDNGNYFWDRPSKVGTVALFSNGTQFRRGGGYGTSAFITHERLKSRDFIKGDDVYILLTVEDISHLNSTQIQLTPAPSVQDLCSKTTCKNDGVCTVRDGKAECRCQSGEDWWYMGERCEKRGSTRDTIVIAVSSTVAVFALMLIITLVSVYCTRKKYRERMSSNRPNLTPQNQHAF,COc1ccc2c(CC(O)=N[C@@H](Cc3ccc(O)cc3)C(O)=N[C@H](C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=N)O)C(C)C)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](Cc3ccc(O)cc3)C(O)=N[C@H](C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=N)O)C(C)C)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](Cc3ccc(O)cc3)C(O)=N[C@H](C(O)=N[C@@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=N)O)C(C)C)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-6.154901959985743,,s_7e00cb863d179a1e3d8cafd0,test
catpreddb_km_km_c86605a433d0ba,catpred_iteration1_km,km,Q7A4T2,Q7A4T2,MVRESIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIRQY,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6556077263148893,,s_e51672960cc30b8c8f13ec0e,test
catpreddb_km_km_c873bc6dbfb2a6,catpred_iteration1_km,km,P0C0F4,P0C0F4,MKIAVAGSGYVGLSLGVLLSLQNEVTIVDILPSKVDKINNGLSPIQDEYIEYYLKSKQLSIKATLDSKAAYKEAELVIIATPTNYNSRINYFDTQHVETVIKEVLSVNSHATLIIKSTIPIGFITEMRQKFQTDRIIFSPEFLRESKALYDNLYPSRIIVSCEENDSPKVKADAEKFALLLKSAAKKNNVPVLIMGASEAEAVKLFANTYLALRVAYFNELDTYAESRKLNSHMIIQGISYDDRIGMHYNNPSFGYGGYCLPKDTKQLLANYNNIPQTLIEAIVSSNNVRKSYIAKQIINVLKEQESPVKVVGVYRLIMKSNSDNFRESAIKDVIDILKSKDIKIIIYEPMLNKLESEDQSVLVNDLENFKKQANIIVTNRYDNELQDVKNKVYSRDIFGRD,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_613ff69dedff2ae8096b03f3,test
catpreddb_km_km_c87cde4740563a,catpred_iteration1_km,km,P9WGR1,P9WGR1,MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL,CCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3581385787320388,,s_d9241b63fbac3c7e22a88593,test
catpreddb_km_km_c89fc8a4b05af5,catpred_iteration1_km,km,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O,C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)N=C1O>>,public_strict_iteration1_fulltrue_msa,,-0.9984675754690646,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_km_km_c8cc6294eeb706,catpred_iteration1_km,km,Q5JDG9,Q5JDG9,MKLDVIGIGNLNYDIIFTLERFPEFHEKINARGAHFGLGGAAANTISWLAHFGLKTGYIGAVGNDDVGEMHIKYFQGIGVDTGGIDVVEEPSGVAVAMVAGDDKRIVKYPGANLRRRFKPEYASRAKFLHLSSNPPELIEEAVNFASQRGIKVSLDIGEAPLPRELESKVDYLMMNEDEYRRKYGSLDPSLCRAKNLVVTLNGGGALVREGDNVFEVRGLSAKVVDSTGAGDSFDAGVIYGVLNGWSLLDSAKLGMLLAYLTVQKVGARSAIVPLEEVKRIAREVGLDLPFNRT,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,1.2787536009528289,,s_f908f38bc94d284bc9412649,test
catpreddb_km_km_c8e464ad9dd175,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O,Cc1onc(-c2ccccc2)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-5.522878745280337,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_c8f88a71031fd9,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO,O=C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.2902699636069649,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_c8fd4be22a963e,catpred_iteration1_km,km,Q70FD1,Q70FD1,MTDYIPTFRFDGHLTIVTGACGGLAEALIKGLLAYGSDIALLDIDQEKTAAKQAEYHKYATEELKLKEVPKMGSYACDISDSDTVHKVFAQVAKDFGKLPLHLVNTAGYCENFPCEDYPAKNAEKMVKVNLLGSLYVSQAFAKPLIKEGIKGASVVLIGSMSGAIVNDPQNQVVYNMSKAGVIHLAKTLACEWAKYNIRVNSLNPGYIYGPLTKNVINGNEELYNRWISGIPQQRMSEPKEYIGAVLYLLSESAASYTTGASLLVDGGFTSW,O=C(CO)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.6720978579357175,,s_a843d0660fbde59f70dcb9df,test
catpreddb_km_km_c914897ccbaf14,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1>>,public_strict_iteration1_fulltrue_msa,,-3.9665762445130506,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_c918ed10753e6e,catpred_iteration1_km,km,O67636,O67636,MAILSSMFNPSPPQGFCKKNIIKILKSLSMQNVLIVGVGFMGGSFAKSLRRSGFKGKIYGYDINPESISKAVDLGIIDEGTTSIAKVEDFSPDFVMLSSPVRTFREIAKKLSYILSEDATVTDQGSVKGKLVYDLENILGKRFVGGHPIAGTEKSGVEYSLDNLYEGKKVILTPTKKTDKKRLKLVKRVWEDVGGVVEYMSPELHDYVFGVVSHLPHAVAFALVDTLIHMSTPEVDLFKYPGGGFKDFTRIAKSDPIMWRDIFLENKENVMKAIEGFEKSLNHLKELIVREAEEELVEYLKEVKIKRMEID,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1487416512809248,,s_bc9221c35c7214224092dbad,test
catpreddb_km_km_c920b6868028c9,catpred_iteration1_km,km,Q02567,Q02567,MAFKSLIAFVALAAAVRAAPTAVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSANNGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGGFTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQSDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCPSERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA,[Mn+2],[Mn+2],[Mn+2]>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_b994a3b9aa22f2c21cb44923,test
catpreddb_km_km_c9595663a93dfb,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1,CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_c971665939ea1b,catpred_iteration1_km,km,Q93IG4,Q93IG4,MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENLKIPENKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIKNPN,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.812076781845422,,s_006f723d5d8d505a1b6694d0,test
catpreddb_km_km_c975bb2e57af1f,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,OCC1(O)OC[C@H](O)[C@H]1O,OCC1(O)OC[C@H](O)[C@H]1O,OCC1(O)OC[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1804560644581313,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_c998c86a24a6f7,catpred_iteration1_km,km,Q9I5F3,Q9I5F3,MSRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAVTEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFSVPSGLKAWIDQIVRLGVTFDFVLDNGVAQYRPLLRGKRALIVTSRGGHGFGPGGENQAMNHADPWLRTALGFIGIDEVTVVAAEGEESGGRSFEDSCDEAEQRLLALARSA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.2692177243336108,,s_b4a31a08446712d2d07ed420,test
catpreddb_km_km_c99ee1cb5a3142,catpred_iteration1_km,km,Q65CC7,Q65CC7,MHLLVRALVEEMAGRGVPHRVLTMSPPKVPKDIRIGQRIKVHARRLPVLPIPSDLEGYFGLVGAWAKGSLLWVLRNRKRLRREIGARVHAHCDGSGAAAFYPYLMSRILGVPLVVQIHSSRYLSQHPTTLFERVTDPIAKWAERHAVRKAAAVLMLTDRARDEMRRKAQLPAERVHRLAYLASDQFKDADTEARRAELRERYGLDDRPIVLYVGRIAAEKGVEYYIEAAAELTRRGRDCQFVIAGDGPARPDLEKLIGARGLRDRVTITGFMSHEFIPSMISLGELVVLPSRYEELGIVILECMTMRRPLVAHDVNGVNKLIEDGTTGIVVPPFRTPEMADAVERLLDDPELRERMAENAAPLPAAKYSLSAAGDQLAGIYREIGL,N[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O,N[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O,N[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_6ee1d2392fde898fa85f518c,test
catpreddb_km_km_c9a3fb65302f10,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_c9b335457715de,catpred_iteration1_km,km,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)O,CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)O,CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_6054a43023a3df240062cbaf,test
catpreddb_km_km_c9b5e70a4521bc,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CN,CN,CN>>,public_strict_iteration1_fulltrue_msa,,-0.2010349266657581,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_c9b7dbe415a5d7,catpred_iteration1_km,km,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCCCCCCCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.4857479223381887,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_c9d795479d0586,catpred_iteration1_km,km,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO,CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO,CCCCCCCCCCCCCCC[C@H](O)[C@H](N)CO>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_km_km_c9f28aef3346c7,catpred_iteration1_km,km,Q8TLW1,Q8TLW1,MSRMTSLLSQFVSKTDFESYEDFQENFKILVPENFNFAYDVVDVYARDSPEKLAMIWCDDYGNEKIFTFKDLKYYSDKAANFFVKHGIGKGDYVMLTLKSRYDFWYCMLGLHKLGAIAVPATHMLKTRDIVYRIEKAGLKMIVCIAEDDVPEQVDEAHAECGDIPLKKAKVGGDVLEGWIDFRKELEESSPIFERPTGEVSTKNEDICLVYFSSGTAGFPKMVEHDNTYPLGHILTAKYWQNVEDDGLHYTVADSGWGKCVWGKLYGQWIAGCAVFVYDYDRFEAKNMLEKASKYGVTTFCAPPTIYRFLIKEDLSHYNFSTLKYAVVAGEPLNPEVFNRFLEFTGIKLMEGFGQTETVVTIATFPWMEPKPGSIGKPTPGYKIELMDRDGRLCEVGEEGEIVINTMEGKPVGLFVHYGKDPERTEETWHDGYYHTGDMAWMDEDGYLWFVGRADDIIKTSGYKVGPFEVESALIQHPAVLECAITGVPDPVRGQVIKATIVLTKDYTPSDSLKNELQDHVKNVTAPYKYPRIIEFVPELPKTISGKIRRVEIRDKDQSQ,CCC(C)C(=O)[O-],CCC(C)C(=O)[O-],CCC(C)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.9503648543761232,,s_5df5588f23339e6a8fa46c15,test
catpreddb_km_km_c9f8c197988919,catpred_iteration1_km,km,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_0424465e822fd7a94a631a04,test
catpreddb_km_km_ca19375d87cca6,catpred_iteration1_km,km,J7JYU5,J7JYU5,MAQKEQITFYTHFYSPYCDRVHLALEEVKADYTVYTVDVMNKPKWYTEQINPVGKIPAITYGGPKVKPEEPSPESCKLRESLVILEFLADLFPEAGLLPTDPVLRAKARLFASDVDAHVFEGFKAYFFMREPASKLLDALDRFQQQLPARGFAVGDKWTLADMAAAPFLVRTYLLLEHDLGVYPAGEGPKTLALLRGERFARLNQYLADLRAQPSFKATWDEAAQVAIWKSNPMFKRE,S=C=NCCc1ccccc1,S=C=NCCc1ccccc1,S=C=NCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_acc8279b1cb8e7e619605320,test
catpreddb_km_km_ca34ca590b367d,catpred_iteration1_km,km,D6XUS4,D6XUS4,MKPYLKEDPWSIIEEGFDKDKHEISESVFSLGNGHMGQRANFEETYTGSTLQGSYMAGVYYPDKTRVGWWKNGYPEYFAKVLNATNWIGLDISVDGTELDLNRAEVNDFVRELNMKEGYLKRSFRATIADGKDIKVEATRFVSVAMKEIGAIEYKITPLTFDGELTLRSYLDGDIMNKDANYDEKFWSKVSESAEGSRAHVTVKTKKLDFVYASLKETKVVHAGEEISPAECKTAEKYAEVTFTAPLKKNEATTIYKFAANVTNRDHEDQKLLDVAKEKLNQAIEKGFDTLKKEQADEWNKKWEDSDIVIEGDVAAQQGIRFNIFQMNQTYTGEDARLNIGPKGFTGEKYGGSTYWDTEAYCLPFYLATADQRIPKNLLVYRHNHLEKAKENAGKLGFTKGALYPMVTMNGEESHNEWEITFEEIHRNGAIAYAIYNYVNYTGDKSYIGELGIEVLVEISRFWEERVHYVPKKDVYMMHGVTGPNEYENNVNNNWYTNRIASWTLEYTLFALDYLKDSDPELYKKWITKLDLKDHETEKWLTIIDKMYYPEDKENGIFLQADNFEDKEIMPVSDLDEKHLPLNQNWSWDRILRSCFIKQADVLQGMYFLNHEFDIETKKRNFDYYEPMTVHESSLSPCVHSILACELGYKEKAYEMYLRTARLDLDNYNNDTEDGCHITSMAGTWMSVVEGFGGMKVKNDQLILNPFIPGQWSSFSFKVVFRGTRLLIKVTQDQVVVNNETDVKADLVIHGETYSLDGKGELSINH,OC[C@H]1O[C@@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6627578316815741,,s_c22cc2f9542b8c837fc60478,test
catpreddb_km_km_ca47abc0ceb448,catpred_iteration1_km,km,A0A345GNZ1,A0A345GNZ1,MSGALSGLSCLVTGASGFVGLRILQMLLEEEERLGEVRAMDKTLSGRLRHTCDRFQSKIQVKLLEGDVRDAEFLDRCCQGVDLVIHTAAVIDTTGHINKETLMSINLHGTERLLESCVQNNVRYFIYTSSMEVVGPNTRGDPIVNGDEEMVYEGKLGFYYGESKRRAEQAVLRANGRELHNGGSLVTCSLRPTYIFGEGSQFLQMHLDQAFQNGGVFKRTSKKEALVNPVYVGNVAWGHILAARAMKDPDSVKKIAGKFYYICDDTPHMSYSDLNHALGKELGLGVEDRLLMPYPLFYFMASMMELVSFLLRPFFRFVPPLTRHLAILLNTTFTFSYKKIQSDMGYKPFYKWEEAKRLTSTWMDTILLQRKEANKKK,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.6358243672293806,,s_3442d3f3a6685ec90140aefe,test
catpreddb_km_km_ca8fe2bad162e7,catpred_iteration1_km,km,Q27705,Q27705,MLSSSHLPTTIVTPKNVPTLGVLVGGGPAPGINGVIGAVTIEAINNGYRVLGFLEGFQNLILQDDSKIVELTIDSVSRIHFEGGSILKTSRANPTKKQEDLQKVVKQLQKFNVSLLVTIGGDDTAFSSMSVAKAANNEIHVVTLPKTIDNDLPLPYGIPTFGYETAREFGANVVRNLMTDASTASRYFIVVAMGRQAGHLALGIGKSAGSHLTLIPEEFLPTTDSTEPEVTFSRICDMIEASIIKRLYTSKKDHGVIVLAEGLLEYMSTDELKQAFGSSLKYDAHDHIMLAELDFGRLVRDEMRERMNRRGLKIAFTEKNLGYELRCAPPNAFDREYTRDLGNGAVRYLLNGGNGALITVQGVKMVPLSFDDLKDPRTGKTRTRQVDVSSEGFQVAKRYMIRLEKKDFEKEETLKGLAATAKCSVEDFIKQFKYLVQ,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_009bffb5a8febe1432335e9c,test
catpreddb_km_km_caa9fdbdb2df21,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0506099933550872,,s_37892504ee980fd328015aac,test
catpreddb_km_km_caaf240203da56,catpred_iteration1_km,km,Q9FUY7,Q9FUY7,MMMKISFNTCFQILLGFIVFIASITLLGRIFSRPSKTKDRCRQLPPGRPGWPILGNLPELIMTRPRSKYFHLAMKELKTDIACFNFAGTHTITINSDEIAREAFRERDADLADRPQLSIVESIGDNYKTMGTSSYGEHFMKMKKVITTEIMSVKTLNMLEAARTIEADNLIAYIHSMYQRSETVDVRELSRVYGYAVTMRMLFGRRHVTKENMFSDDGRLGKAEKHHLEVIFNTLNCLPGFSPVDYVDRWLGGWNIDGEEERAKVNVNLVRSYNNPIIDERVEIWREKGGKAAVEDWLDTFITLKDQNGNYLVTPDEIKAQCVEFCIAAIDNPANNMEWTLGEMLKNPEILRKALKELDEVVGKDRLVQESDIRNLNYLKACCRETFRIHPSAHYVPPHVARQDTTLGGYFIPKGSHIHVCRPGLGRNPKIWKDPLAYEPERHLQGDGITKEVTLVETEMRFVSFSTGRRGCVGVKVGTIMMAMMLARFLQGFNWKLHRDFGPLSLEEDDASLLMAKPLLLSVEPRLASNLYPKFRP,CSCCCCCCCCC(N)C(=O)O,CSCCCCCCCCC(N)C(=O)O,CSCCCCCCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_288feb46e99335d506565a69,test
catpreddb_km_km_cabde8af0c0152,catpred_iteration1_km,km,B9IA36,B9IA36,MQTPVSNSKFVGSRVPFLFLNNKQSPDRRITSISTSCVCSIWNNYHYKRRTRMATDNKLRHVTSMLELPSGAGKFSALHAVILGEALASEENDLIFPSDDFARQAHVSSPQQYLEMYKRSVEDPAGFWSDIASQFYWKKKWDQPACSENFDFRKGNISIQWFKGGLTNICYNCLDRNIESGNADKIAIYWEGNDPGLEDSLTYSQLLDRVCQLSNYLKDVGVKKGDAVVIYLPMLMELPIAMLACARIGAVHSVVFAGFSSESLAQRIVDCKPKVVITCNAVKRGAKAIHLKDIVDAALAESAKNGISVDVCLTYENENAMKREGTKWQEGRDVWWQDFVPKYPTTCEVEWVDAEDPLFLLYTSGSTGKPKGVLHTTGGYMVYSATTFKYAFDYKPSDVYWCTADCGWITGHSYVTYGPMLNGASVVVFEGTPTYPDAGRCWDIVDKFKVTIFYTAPTLVRSLMRESDKFVTRYSRKSLRVLGSVGEPINPSAWRWFFNVVGDSRCPISDTWWQTETGGFMITPLPGAWPQKPGSATFPFFGVQPVIVDEKGVEIEGECSGYLCLKSSWPGAFRTLYGDHERYETTYFKPFAGYYFTGDGCSRDKDGYHWLTGRVDDVINVSGHRIGTAEVESALVSHPKCAEAAVVGVEHEVKGQGIYAFVTLVEGEPYSEELRKSLILTVRKQIGAFAAPDKIHWAPGLPKTRSGKIMRRILRKIASKQLDELGDTSTLAEPHVVEQLIELADC,CC(=O)O.[Na+],CC(=O)O.[Na+],CC(=O)O.[Na+]>>,public_strict_iteration1_fulltrue_msa,,-0.372363747448347,,s_6826eff7f629609675bae02c,test
catpreddb_km_km_caec45d1968018,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21,O[C@H]1CCCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.214670164989233,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_cb08d1b4c12d41,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-0.3565473235138126,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_cb203a970f46ba,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.619788758288394,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_cb46cd617a7557,catpred_iteration1_km,km,O00763,O00763,MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQRNGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGTGTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSVAGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKLPELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGKRISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQVQSEIPGSPIFLMKLAQHARHLTGASALNKVLGREVYTSNNQLGGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSRAPYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGFSGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLKAREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVKQEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIRENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2365720064370629,,s_2f44ab60f356ab1568187475,test
catpreddb_km_km_cb4ccf85b7ca36,catpred_iteration1_km,km,B2RQC6,B2RQC6,MAALVLEDGSVLQGRPFGAAVSTAGEVVFQTGMVGYPEALTDPSYKAQILVLTYPLIGNYGIPSDEEDEFGLSKWFESSEIHVAGLVVGECCPTPSHWSANCTLHEWLQQRGIPGLQGVDTRELTKKLREQGSLLGKLVQKGTEPSALPFVDPNARPLAPEVSIKTPRVFNAGGAPRICALDCGLKYNQIRCLCQLGAEVTVVPWDHELDSQKYDGLFLSNGPGDPASYPGVVSTLSRVLSEPNPRPVFGICLGHQLLALAIGAKTYKMRYGNRGHNQPCLLVGTGRCFLTSQNHGFAVDADSLPAGWAPLFTNANDCSNEGIVHDSLPFFSVQFHPEHRAGPSDMELLFDVFLETVREAAAGNIGGQTVRERLAQRLCPPELPIPGSGLPPPRKVLILGSGGLSIGQAGEFDYSGSQAIKALKEENIQTLLINPNIATVQTSQGLADKVYFLPITLHYVTQVIRNERPDGVLLTFGGQTALNCGVELTKAGVLARYGVRDDLLQRLHHNPRRIFHLPLQEDTYVEVDLEHEWTVPSHMPFSKARWTPFEGQKVKGTVRRVVLRGEVAYIDGQVLVPPGYGQDVRKWPQGVVPQPPPSTPATTEITTTPERPRRVIPGLPDGRFHLPPRIHRASDPGLPAEEPKEKPPRKVVEPELMGTPDGPCYPAPPVPRQASPQNLGSSGLLHPQMSPLLHSLVGQHILSVKQFTKDQMSHLFNVAHTLRMMVQKERSLDILKGKVMASMFYEVSTRTSSSFAAAMARLGGAVLSFSEATSSVQKGESLADSVQTMSCYADVIVLRHPQPGAVELAAKHCRRPVINAGDGVGEHPTQALLDIFTIREELGTVNGMTITMVGDLKHGRTVHSLACLLTQYRVSLRYVAPPSLRMPPSVRDFVASRGTKQEEFESIEEALPDTDVLYMTRIQKERFGSVQEYEACFGQFILTPHIMTRAKKKMVVMHPMPRVNEISVEVDSDPRAAYFRQAENGMYIRMALLATVLGRF,O=C1CC(C(=O)O)NC(=O)N1,O=C1CC(C(=O)O)NC(=O)N1,O=C1CC(C(=O)O)NC(=O)N1>>,public_strict_iteration1_fulltrue_msa,,-1.894341253559484,,s_4bb690c50bdd7ba5ece14341,test
catpreddb_km_km_cb5aec8b64b290,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,O=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.248242498298898,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_cb63851157a00d,catpred_iteration1_km,km,A0A5K1UCC2,A0A5K1UCC2,MQRVYAFEDGDGTNKKLLGGKGAGLCTMTKIGLPVPQGFVITTEMCKQFIANGNKMPEGLMEEVKKNMQLVEKKSGKVFGGEENPLLVSVRSGAAMSMPGMMDTILNLGLNDKTVVALAKLTNNERFAYDSYRRFVSLFGKIALNVDDEVYDKTLENKKVEKGVKLDTELDANDMKELAQVFIKKTEEFTKQPFPVDPYAQLEFAICAVFRSWMGKRAVDYRREFKITPEQADGTAVSVVSMVYGNMGNDSATGVCFTRDPGTGENMFFGEYLKNAQGEDVVAGIRTPQIISKMAEDADLPGCYEQLLDIRKKLEGYFHEVQDFEFTIERKKLYMLQTRNGKMNATATVRTGVDMVEEGLITKEQAIMRIAPQSVDQLLHKNMPANYAEAPLVKGLPASPGAATGAVVFDADDAVEQAKGKKVLLLREETKPEDIHGFFVAEGILTCRGGKTSHAAVVARGMGKPCVSGAEGIKVDVAKKIAKIGSLEVHEGDILTIDGSTGCVYKGEVPLEEPQVGSGYFGTILKWANEIKKIGVFANADLPSAAKKALEFGAEGIGLCRTERMFNAVERLPIVVKMILSNTLEERKKYLNELMPLQKQDFIGLLKTMNGLPVTVRLLDPPLHEFLPTLEELMREIFEMKLSGKTEGLAEKEVVLKKVKELMEVNPMIGHRGIRLGTTNPEIYEMQIRAFLEATAEVIKEGIKTHAEIMIPNVTEVNELINLRKNVLEPVHEEVEKKYGIKVPFMYGTMVECVRAALTADKIATEASFFSFGTNDLTQGTFSYSREDSENKFIPKYVELKILPANPFEILDRPGVGEVMRIAVTKGRQTRPELLVGICGEHGGEPSSIEWCHMIGLNYVSCSSYRIPVARIAAAQAQIRHPREN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4723108343125,,s_7b891238f481ee6cd9721941,test
catpreddb_km_km_cb68c2358a858e,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23,OC1Cc2cccc3cccc1c23>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_cb8312892aa53a,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(OP(=O)(O)O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.809668301829709,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_cb8bc470025a24,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,NC(Cc1ccc(O)cc1)[PH](=O)O,NC(Cc1ccc(O)cc1)[PH](=O)O,NC(Cc1ccc(O)cc1)[PH](=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0334237554869497,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_cb91bb1d7c6292,catpred_iteration1_km,km,Q6XZ78,Q6XZ78,MAPLGDGGAAAAAASNNLVVSFGEMLIDFVPDVAGLSLAESGGFVKAPGGAPANVACAIAKLGGSSAFVGKFGDDEFGHMLVNILKQNNVNAEGCLFDKHARTALAFVTLKHDGEREFMFYRNPSADMLLTEAELDLGLVRRARVFHYGSISLISEPCRSAHMAAMRAAKAAGVLCSYDPNVRLPLWPSPDAAREGILSIWKEADFIKVSDDEVAFLTRGDANDEKNVLSLWFDGLKLLVVTDGDKGCRYFTKDFKGSVPGFKVDTVDTTGAGDAFVGSLLVNVAKDDSIFHNEEKLREALKFSNACGAICTTKKGAIPALPTVATAQDLIAKAN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.728158393463501,,s_636d56adb3089dc7f190aa93,test
catpreddb_km_km_cba61c744ba7a4,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-2.65184334588149,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_cbad9afa3ff3f6,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,Cc1cc(=O)oc2cc(N=C(O)[C@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](N)CCCNC(=N)N)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_cbb10a91c28cc1,catpred_iteration1_km,km,A0A075HNX4,A0A075HNX4,MAQGAQRKNFGHNQILRPSAAYTPVDEQEVLQILDRHRGQRIRAVGRLHSWSEAVTGDGVLLDLQRLNDVRLQSDGDQLVATVGAGCQIKRLLKELNREGATLHSLGLITAQTIAGAISTGTHGSGRNSMSHYVVGVRLACYDASTGQAIIEELSAGEPLQAARCSLGSLGIILAVRIRCREQYNVQEHFTESRRLLDVMDAEAPFPLQQFYLLPWRWSYFIQHRREDDRPRSRLARLYRLYWLGTMDYGLILQILFLERVARSRRLIRLAFRRIIPAFLIRNWRVTDRSSSMLVMRHDAFRHIEIELFVRRDQLADALGFTQEVIKIAGGRESALSADNQRRIEELGMQEALAGLHDQYCHHFPICVRRVLPDDTLISMASGAGEDWYALSFISYAKPARRAGFSLFASFMARSMSRLFHARPHWGKVCPLEADELTSLYPRFDAFRTVCNTLDPQGVFQNDWTTALLEADGQVGDFP,CCCCCCCCCCCCO,CCCCCCCCCCCCO,CCCCCCCCCCCCO>>,public_strict_iteration1_fulltrue_msa,,-1.5575202309355514,,s_f4ca53d950ef41496bb2676c,test
catpreddb_km_km_cbb52fdf23f95f,catpred_iteration1_km,km,Q8TGI8,Q8TGI8,MRNGLLKVAALAAASAVNGENLAYSPPFYPSPWANGQGDWAEAYQKAVQFVSQLTLAEKVNLTTGTGWEQDRCVGQVGSIPRLGFPGLCMQDSPLGVRDTDYNSAFPAGVNVAATWDRNLAYRRGVAMGEEHRGKGVDVQLGPVAGPLGRSPDAGRNWEGFAPDPVLTGNMMASTIQGIQDAGVIACAKHFILYEQEHFRQGAQDGYDISDSISANADDKTMHELYLWPFADAVRAGVGSVMCSYNQVNNSYACSNSYTMNKLLKSELGFQGFVMTDWGGHHSGVGSALAGLDMSMPGDIAFDSGTSFWGTNLTVAVLNGSIPEWRVDDMAVRIMSAYYKVGRDRYSVPINFDSWTLDTYGPEHYAVGQGQTKINEHVDVRGNHAEIIHEIGAASAVLLKNKGGLPLTGTERFVGVFGKDAGSNPWGVNGCSDRGCDNGTLAMGWGSGTANFPYLVTPEQAIQREVLSRNGTFTGITDNGALAEMAAAASQADTCLVFANADSGEGYITVDGNEGDRKNLTLWQGADQVIHNVSANCNNTVVVLHTVGPVLIDDWYDHPNVTAILWAGLPGQESGNSLVDVLYGRVNPGKTPFTWGRARDDYGAPLIVKPNNGKGAPQQDFTEGIFIDYRRFDKYNITPIYEFGFGLSYTTFEFSQLNVQPINAPPYTPASGFTKAAQSFGQPSNASDNLYPSDIERVPLYIYPWLNSTDLKASANDPDYGLPTEKYVPPNATNGDPQPIDPAGGAPGGNPSLYEPVARVTTIITNTGKVTGDEVPQLYVSLGGPDDAPKVLRGFDRITLAPGQQYLWTTTLTRRDISNWDPVTQNWVVTNYTKTIYVGNSSRNLPLQAPLKPYPGI,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4089353929735008,,s_75ed30970c46263bfbfb163d,test
catpreddb_km_km_cbbddb262b6af5,catpred_iteration1_km,km,P22734,P22734,MPLAAVSLGLLLLALLLLLRHLGWGLVTIFWFEYVLQPVHNLIMGDTKEQRILRYVQQNAKPGDPQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMARLLQPGARLLTMEMNPDYAAITQQMLNFAGLQDKVTILNGASQDLIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEKCGLLRKGTVLLADNVIVPGTPDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPSSPDKS,Oc1ccccc1O,Oc1ccccc1O,Oc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.4473317838878068,,s_6090164565ad94333335d06f,test
catpreddb_km_km_cbc8d69bf8b779,catpred_iteration1_km,km,P30526,P30526,MSADGLAAFLAEANEFRTIPIVRKFVADVIEPLGVFANLREEAVFLLESKDDESPWARYSFIGVAPFLTLESETGETFSVKDENGNEQITAPTLKEAFQWVERTLAVKPLAETVPFTGGAVGFLGYDFISAIEKVPRHKNRDVPMKTAYFVFCESLFAFDQKKRELLVIHYIRLSGNETEEEKIEAYRAAERRMADLAAKAARPQAEQPLLPAESESGRTASFAKAVSNYDKKQFLRDVEAVKRYIAAGDVFQAVLSQRFCVPVQAGGFAIYRLLRYINPSPYMFYFQLDGVEIVGSSPEKLIQVHRRRVEIDPIAGTRRRGRSPEEDERLADELYHDPKERAEHYMLVDLARNDIGRVAKYGTVEVPVLLQIGKFSHVMHLISKVVGELDDNVHPIDALLAAFPAGTVSGAPKVRAMQILQELEPTARGLYAGAIAYIGFDGNIDSCIAIRTAVVKDGYAYVQAGAGIVADSVPELEWKETRNKASALMNAIEQAERLFAKGERAVC,[NH4+],[NH4+],[NH4+]>>,public_strict_iteration1_fulltrue_msa,,1.662757831681574,,s_962fe31f8f2adf3de722b3a8,test
catpreddb_km_km_cbcba6721a4a6a,catpred_iteration1_km,km,H0VM25,H0VM25,MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAITYALSVGYRHIDCAAVYGNETEIGEALKANVGPGKAVPREEVFVTSKLWNTKHHPEDVEPALRKTLTDLQLEYLDLYLMHWPYAFERGDNPFPKNADGTVRYDSTHYKETWKALEVLVAKGLVRALGLSNFSSRQIDDVLSVASVRPAVLQVESHPYLAQNELIAHCQAHGLEVTAYSPLGSSDRAWRHPDEPILLEDPLVLALAEKYGRSPAQILLRWQVQRKVICIPKSVTPSRILENIQVFDFTFNPEEMKQLDALNKNWRYIVPMITVDGKRVPRDAGHPLYPFNDPY,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O>>,public_strict_iteration1_fulltrue_msa,,-1.7439641814829994,,s_03d502bb58a0cf841239f73f,test
catpreddb_km_km_cbd14f6eefedca,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,OC1COC(O)C1O,OC1COC(O)C1O,OC1COC(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3680636615673881,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_cbdcf1604f8a26,catpred_iteration1_km,km,Q9VCC6,Q9VCC6,MTSKLLPGNIVYGGPVTERQAQDSRSLGQYILDKYKSFGDRTVLVDAVNGVEYSASFMHKSIVRLAYILQKLGVKQNDVVGLSSENSVNFALAMFAGLAVGATVAPLNVTYSDREVDHAINLSKPKIIFASKITIDRVAKVASKNKFVKGIIALSGTSKKFKNIYDLKELMEDEKFKTQPDFTSPAANKDEDVSLIVCSSGTTGLPKGVQLTQMNLLATLDSQIQPTVIPMEEVTLLTVIPWFHAFGCLTLITTACVGARLVYLPKFEEKLFLSAIEKYRVMMAFMVPPLMVFLAKHPIVDKYDLSSLMVLLCGAAPLSRETEDQIKERIGVPFIRQGYGLSESTLSVLVQNDEFCKPGSVGVLKVGIYAKVIDPDTGKLLGANERGELCFKGDGIMKGYIGDTKSTQTAIKDGWLHTGDIGYYDDDFEFFIVDRIKELIKYKGYQVPPAEIEALLLTNDKIKDAAVIGKPDEEAGELPLAFVVKQANVQLTENEVIQFVNDNASPAKRLRGGVIFVDEIPKNPSGKILRRILREMLKKQKSKL,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.72584215073632,,s_f51fea7d9150b0032a6f1732,test
catpreddb_km_km_cbe3b7941d3467,catpred_iteration1_km,km,Q8LPA6,Q8LPA6,MQRSGLRLASSRSAPIWKVGDVVLHGAAAEDNAQTRLVFSKDTKDFLSELNRQFAYEVVELSKHRKGLHESIRRTLPSGQVELPTLAGANDPNWKVAPTPEVLQKRRVEITGPANDAKMVINMLNSGADACMIDLEDAMAPSGKNVVEGHFNIYKAARGELVYEQPLGDGKFKRYQIGQTPSTLMVRVRGLHMKEVHATAAHVGPVPATLFDIGVHLANNGKYLQDHGLGPFLYIPKLHSGVEAEVLEKVLAYCEKQLQLTENGTKVTTLIETLPAIFQTEEIAYALKNRIVGQNCGRWDWLASRNYYLSGQKEAIHPDREYLGMEQSFNKAYSQRVCQTAKKRGFHAMGGMSAFIPVSGDQAKTAEAIQKVVVDKALEIENGHDGAWVAHPGMVEAVLDQFKKAFGDAPHQKSSSKSVDAKISTKDIIEVPKDLQDASKRTEKGLRQNISVALQYMGHYLQGNGAAGINNMMEDLATFEMSRHHIRSWVDSKVEITFADESRPDTLWVKPEDPGNLALKLNNFLGLQDKIQMVDTIHQLQALRSLPQGQFREGLRALQSQVNTYSDFHDISILADLEQGYGDVKYTRYGVTKAIQNGISMLHIEDQGPKKRCGHLGDKELDTFDHAIEIMTAANYAAQEVLGPEQAKENLCRFVFRTDALSATRIVYSKAVEDPSHIDHKYIDWDRGFCPDGRYLWLKKDTNPATGNPYGLDQSIDRASEMVRRGLASFVWMETPDAEVRIAQAFLEGVNERLKNTGRQALGLYNFSPSFIWDKNYYPDAKKLALQVATFAQDNLISRVQSGAISHEQAMSELKQFLDTNGDKVRGDHLFTTQNLERLYSHAMDHCRTANGWSGDITKANDLISQQFASNLKFRLQREIERTQQGGYNPVHHMSNIVVGQRIKHFSSALEKIGFMAQLITLPQFHTEAERGYSVARAYQQQGIEGYVQHVQRVEEHLPSGYTFLGHQKAVGTGVEAQLYENLFAKASAILHDSTEKHFH,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.433676665221327,,s_1dbd72bf0152d16fa32eb734,test
catpreddb_km_km_cbfe1af5e47d62,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O,N[C@@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.582177037688409,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_cc168c2ed99fe9,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.4814860601221125,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_cc236b26936fe3,catpred_iteration1_km,km,A0A191W0D9,A0A191W0D9,MLKIKDYEFWFIVGSQHLYGKETLDAVKEDAEKIINEINASGKLPYPIVFKTVATTADSITQVMKEVNYNDNVAGVITWMHTFSPAKNWIRGTKLLQKPLLHLATQFLDHIPWETIDMDYMNLHQSAHGDREYGFINARLNKNNKIVVGHWKDEKVQTQIGQWMDVAVAFNESFNIKVARFGDNMRNVAVTDGDKIEAQIQFGWTVDYYGIGDLVAEMKEVTDQEIEAVCAECQEKYELVVGNNDPAYFEDHVKEQIRIEIALRKFLDRGGYTAFTTNFEDLWGMKQLPGMAVQRLNAEGYGFAGEGDWKTAALDRLVKIMAHNEKTGFMEDYTYNLVKGHEEILGSHMLEVDPTLASGKIRVEVHPLGIGDREDPARLVFDGTDGDAVNLTVSDFGDQFKLVMYEVDGKKPAEAAPKLPVARQLWTPKPGFYEGVQKWIENGGGHHTVLSFAVTAEQIEDFAKMVGLKTVKI,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.550350672301616,,s_69ff9f946a645ccc8d87518c,test
catpreddb_km_km_cc6e93c34fd8fc,catpred_iteration1_km,km,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_km_km_cc7847e9c7fc2a,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1,O=C(OCCCc1ccncc1)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.4269359821608809,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_cc98eb48801986,catpred_iteration1_km,km,P47820,P47820,MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYNSSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTDQKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESPSFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNYDWWYFSNKIAKLNGYSDAGDSWRSSYESDDLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFIIQFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSASAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CC(=O)O)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_3b2b69fed0c36508bc49125a,test
catpreddb_km_km_cc9b1a844050df,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)[C@@H](O)C([O-])=NCCC([O-])=NCCSC(=O)Cc1cccc([O-])c1>>,public_strict_iteration1_fulltrue_msa,,-1.407228264326729,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_ccb07e1331b93f,catpred_iteration1_km,km,Q4JGM1,Q4JGM1,MADATLLHRLIEALPKAELHVHIEGTLSPELLFELAKRNGVQIPYKTVEEVRAAYNFTDLQSFLDLYYEGMSVLITEDDFADLAYAYTRVMHESRVTHAEPFFDPQGHLCRGITFRVLYDGLMKGFRRGEAEFGVSVALIFSFLRHLSEEECFALVRDDMHPDNGQYIRELFAAKAFVAVGLDSSELDNPPEKFARLYRYCHEELKVPFLVAHAGEEGPPGYMRDAMSMLAVDRIDHGVAARLDQALCKDLREKRIPLTVCPTSNVALKVFQDRATCGAVVMDLVLTEGLCITINSDDPAYFGGDIRESFRILAETGRLTPATLKQLVLNSFCSSFIAEDRKRAYEERVEKVFKDVCGGTYE,Nc1nc[nH]c2ncnc1-2,Nc1nc[nH]c2ncnc1-2,Nc1nc[nH]c2ncnc1-2>>,public_strict_iteration1_fulltrue_msa,,-1.812479279163537,,s_fe0584a40e117cc0758e8221,test
catpreddb_km_km_ccbad2e680ee0c,catpred_iteration1_km,km,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,N=C(O)CC(=O)C(=O)O,N=C(O)CC(=O)C(=O)O,N=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.146214911951032,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_km_km_ccbb71c30addf7,catpred_iteration1_km,km,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O,O=CC(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6549019599857432,,s_c914da2418e4f7c204592eba,test
catpreddb_km_km_ccd131b9b4349d,catpred_iteration1_km,km,Q8BW75,Q8BW75,MSNKSDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDNNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTKSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVIVKTLNHEIYEAKYVISAIPPALGMKIHYSPPLPMLRNQLISRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGEEAPIAYTLDDTKPDGTYAAIMGFILAHKARKLVRLTKEERLRKLCELYAKVLNSQEALQPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVGKIFFAGTETASHWSGYMEGAVEAGERAAREILHAIGKIPEDEIWQPEPESLDVPARPITSTFLERHLPSVPGLLKLFGLTTILSATALGFLAHKRGLFVHF,CN1CC=C(c2ccccc2)CC1,CN1CC=C(c2ccccc2)CC1,CN1CC=C(c2ccccc2)CC1>>,public_strict_iteration1_fulltrue_msa,,-0.6908519776521816,,s_a0b888c002ff8513ae40c263,test
catpreddb_km_km_ccf396734ed93e,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-0.3665315444204134,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_cd17b8f5b41772,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_cd389e86df183d,catpred_iteration1_km,km,Q9QZH8,Q9QZH8,MGRTIFLLISVVLVAYYIYIPLPDDIEEPWKIILGNTLLKLGGDLASFGELLGLNHFMDTVQLFMRFQVVPPTSDENVTVMETDFNSVPVRIYIPKRKSTTLRRGLFFIHGGGWCLGSAAYFMYDTLSRRTAHRLDAVVVSTDYGLAPKYHFPKQFEDVYHSLRWFLQEDILEKYGVDPRRVGVSGDSAGGNLTAAVTQQILQDPDVKIKLKVQALIYPALQALDMNVPSQQENSQYPLLTRSLLIRFWSEYFTTDRDLEKAMLLNQHVPVEFSHLLQFVNWSSLLPQRYKKGYFYKTPTPGSLELAQKYPGFTDVKACPLLANDSILHHLPMTYIITCQYDVLRDDGLMYVKRLQNTGVHVTHHHIEDGFHGALTLPGLKITYRMQNQYLNWLHKNL,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1>>,public_strict_iteration1_fulltrue_msa,,0.7075701760979364,,s_2e07fc401aad3ecf02dd9df8,test
catpreddb_km_km_cd4bd3041f84d0,catpred_iteration1_km,km,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,O=C/C=C/c1ccc(O)cc1,O=C/C=C/c1ccc(O)cc1,O=C/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.028724151261895,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_km_km_cd55f4d1ef9c96,catpred_iteration1_km,km,Q3J5L6,Q3J5L6,MSFRLQPAPPARPNRCQLFGPGSRPALFEKMAASAADVINLDLEDSVAPDDKAQARANIIEAINGLDWGRKYLSVRINGLDTPFWYRDVVDLLEQAGDRLDQIMIPKVGCAADVYAVDALVTAIERAKGRTKPLSFEVIIESAAGIAHVEEIAASSPRLQAMSLGAADFAASMGMQTTGIGGTQENYYMLHDGQKHWSDPWHWAQAAIVAACRTHGILPVDGPFGDFSDDEGFRAQARRSATLGMVGKWAIHPKQVALANEVFTPSETAVTEAREILAAMDAAKARGEGATVYKGRLVDIASIKQAEVIVRQAEMISA,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_7339ebca9bb234fe98b49268,test
catpreddb_km_km_cd56fe7fbc0395,catpred_iteration1_km,km,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CCO)ccc1O,COc1cc(C=CCO)ccc1O,COc1cc(C=CCO)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.9034377008227692,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_km_km_cd5c823f4f356d,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12>>,public_strict_iteration1_fulltrue_msa,,-2.6989700043360187,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_cd67a206b31c87,catpred_iteration1_km,km,Q8MP06,Q8MP06,MFRKFVIMLVLSLLVAAGISQASSASRVCIIGAGYSGLATARYLQDYGLNYTIFEATPNIGGTWRYDPRVGTDEDGIPIYSSNYKNLRVNSPVDLMTYHGYEFQEGTRSFISGNCFYKYMKSFVRHFGLMENIQVRSLVTWVQRTEDKWNLTYMKTDTRKNYTEECDFVVVASGEFSTPKIPHIKGQEEYKGKTMHSHDYKEAESFRGQRVLVIGAGPSGLDVVMQLSNITSKLVHSQHILKSWHIFNQPDFPGNFISKPNVKHFTANGAVFEDDTVEEFDMVIYCTGFYYNHPFLSTLSSGITATENYVMPLYQQVVNINQPTMTFVGICKPFFAKLLDQQAHYSAKLAAGHFKLPSQDKMLRHWLEHVQMLREAQFKITDVNSVGPNVDEYFKALHKEAGVPLLPPVYASVFVFSGKTLLEDLQNYREYDYRIISDTQFKKKYNPREEVCPYDD,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23,C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23>>,public_strict_iteration1_fulltrue_msa,,-2.853871964321762,,s_f920b11baaa6c5444b21cf82,test
catpreddb_km_km_cd6ea3bb3eb81b,catpred_iteration1_km,km,P05708,P05708,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3565473235138126,,s_941b077a82856b376a21076e,test
catpreddb_km_km_cd7f0460ecce4c,catpred_iteration1_km,km,Q5GTD5,Q5GTD5,MFITFEGIDGSGKTIQSELLANYFKQIHGENNMVLTREPGGTDFAEKVRGILLKDSIDPVSELLLLISMRYEHVKKVILPALKKGKIVICDRFIDSTIAYQGYGLGVDLELIRDLHKLVKIKYPDTTFILDIDVQIGLSRAMDKNKYEEMNISFYNKVRKGFQEIAINEPDRCSIITEIEAKDNNQVHVEIVNKVTATKPVLLRK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1804560644581312,,s_11e432ec5fde510c2ee9b49e,test
catpreddb_km_km_cd85e2f77a10df,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)c1c(F)cccc1F,O=C(O)CN=C(O)c1c(F)cccc1F,O=C(O)CN=C(O)c1c(F)cccc1F>>,public_strict_iteration1_fulltrue_msa,,1.2787536009528289,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_cd8d7482772ebb,catpred_iteration1_km,km,D4GYE6,D4GYE6,MILTVTPNPAVDHTIHFDEPLQTGVVHRTDDAVFTAGGKGINVAKYASALDADVTASGFLGGHFGKFVRDRLDADGIASDFVTVDADTRLNTTVLAADGEYKLNHNGPQIRAADVDELVETAQANEPDTLLVGGSLPPGMSLSDVDRLARAGDWKIAVDMGGEYLAELDADYYVCKPNRSELAAATGRTVETEADAVEAAEELHARGFEYVLASLGADGALLVTDDEVLSAPALDVEVVDTVGAGDAVMSGFLAAREHGLSDADALRMGVLTASRVVGVAGTRVPDLEDVLTNETHVEVTTVRTR,O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5086383061657274,,s_3eb6cfd7abcb75cd7d47d0b4,test
catpreddb_km_km_cdbba68918713b,catpred_iteration1_km,km,O88867,O88867,MASSDTEGKRVVVIGGGLVGALNACFLAKRNFQVDVYEAREDIRVANFMRGRSINLALSYRGRQALKAVGLEDQIVSKGVPMKARMIHSLSGKKSAIPYGNKSQYILSISREKLNKDLLTAVESYPNAKVHFGHKLSKCCPEEGILTMLGPNKVPRDITCDLIVGCDGAYSTVRAHLMKKPRFDYSQQYIPHGYMELTIPPKNGEYAMEPNCLHIWPRNAFMMIALPNMDKSFTCTLFMSFEEFEKLPTHSDVLDFFQKNFPDAIPLMGEQALMRDFFLLPAQPMISVKCSPFHLKSRCVLMGDAAHAIVPFFGQGMNAGFEDCLVFDELMDKFNNDLSVCLPEFSRFRIPDDHAISDLSMYNYIEMRAHVNSRWFLFQRLLDKFLHALMPSTFIPLYTMVAFTRIRYHEAVLRWHWQKKVINRGLFVLGSLVAIGSAYILVHHLSPRPLELLRSAWTGTSGHWNRSADISPRVPWSH,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.9469215565165805,,s_a6614d1afb4f81c2a9d1ff53,test
catpreddb_km_km_cdd3528e6c047e,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_cddd6a6f228266,catpred_iteration1_km,km,O08453,O08453,MANVNKTPGKARRAEVAGGGFAGLTAAIALKQSGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHLHDALVNRARALGIDIRVNSEAVAADPEGRLTLESGEVLEADLIVGADGVGSKVRDSIGFKQDRWISKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSAVPIDLEVWVEMFPFLEPCLVEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEAGSSVEDALVDWEKRIRPITDRCQALSGEYAANRSLSNGNMFTPAALEAARYDPLRRVFSWPQ,Nc1cncc(C(=O)O)c1,Nc1cncc(C(=O)O)c1,Nc1cncc(C(=O)O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.1772888653254538,,s_af6532167929e09c53556f0e,test
catpreddb_km_km_cdef2b15c50dbc,catpred_iteration1_km,km,P11155,P11155,MAASVSRAICVQKPGSKCTRDREATSFARRSVAAPRPPHAKAAGVIRSDSGAGRGQHCSPLRAVVDAAPIQTTKKRVFHFGKGKSEGNKTMKELLGGKGANLAEMASIGLSVPPGFTVSTEACQQYQDAGCALPAGLWAEIVDGLQWVEEYMGATLGDPQRPLLLSVRSGAAVSMPGMMDTVLNLGLNDEVAAGLAAKSGERFAYDSFRRFLDMFGNVVMDIPRSLFEEKLEHMKESKGLKNDTDLTASDLKELVGQYKEVYLSAKGEPFPSDPKKQLELAVLAVFNSWESPRAKKYRSINQITGLRGTAVNVQCMVFGNMGNTSGTGVLFTRNPNTGEKKLYGEFLVNAQGEDVVAGIRTPEDLDAMKNLMPQAYDELVENCNILESHYKEMQDIEFTVQENRLWMLQCRTGKRTGKSAVKIAVDMVNEGLVEPRSAIKMVEPGHLDQLLHPQFENPSAYKDQVIATGLPASPGAAVGQVVFTAEDAEAWHSQGKAAILVRAETSPEDVGGMHAAVGILTERGGMTSHAAVVARWWGKCCVSGCSGIRVNDAEKLVTIGSHVLREGEWLSLNGSTGEVILGKQPLSPPALSGDLGTFMAWVDDVRKLKVLANADTPDDALTARNNGAQGIGLCRTEHMFFASDERIKAVRQMIMAPTLELRQQALDRLLTYQRSDFEGIFRAMDGLPVTIRLLDHPSYEFLPEGNIEDIVSELCAETGANQEDALARIEKLSEVNPMLGFRGCRLGISYPELTEMQARAIFEAAIAMTNQGVQVFPEIMVPLVGTPQELGHQVTLIRQVAEKVFANVGKTIGYKVGTMIEIPRAALVADEIAEQAEFFSFGTNDLTQMTFGYSRDDVGKFIPVHLAQGILQHDPFEVLDQRGVGELVKFATERGRKARPNLKVGICGEHGGEPSSVAFFAKAGLDFVSCSPFRVPIARLAAAQVLV,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7873167505785371,,s_b95af9dbd0bac922e0624b9d,test
catpreddb_km_km_ce1554b9713183,catpred_iteration1_km,km,Q9HK01,Q9HK01,MDTKLYIDGQWVNSSSGKTVDKYSPVTGQVIGRFEAATRDDVDRAIDAAEDAFWAWNDLGSVERSKIIYRAKELIEKNRAELENIIMEENGKPVKEAKEEVDGVIDQIQYYAEWARKLNGEVVEGTSSHRKIFQYKVPYGIVVALTPWNFPAGMVARKLAPALLTGNTVVLKPSSDTPGSAEWIVRKFVEAGVPKGVLNFITGRGSEIGDYIVEHKKVNLITMTGSTATGQRIMQKASANMAKLILELGGKAPFMVWKDADMDNALKTLLWAKYWNAGQSCIAAERLYVHEDIYDTFMSRFVELSRKLALGDPKNADMGPLINKGALQATSEIVEEAKESGAKILFGGSQPSLSGPYRNGYFFLPTIIGNADQKSKIFQEEIFAPVIGARKISSVEEMYDLANDSKYGLASYLFTKDPNIIFEASERIRFGELYVNMPGPEASQGYHTGFRMTGQAGEGSKYGISEYLKLKNIYVDYSGKPLHINTVRDDLFQ,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.3871516505745785,,s_132f66001f653d7ed2ddbe90,test
catpreddb_km_km_ce411f30b3f925,catpred_iteration1_km,km,A0A097ZMY7,A0A097ZMY7,MSSRQPFVRLNDGHCIPALGFGTYKPIEVPKSKSLEAANLAIGVGYRHIDTAYAYQIEEEIGQAIQSNIKAGIVKREDMFITTKLWCTCFQPELVRPSLEKSLKKLQLEHVDLFIMHYPVPMKAGDNDFPLDEQGKLLLDTVDFCATWEALEKCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHVYNNQSKLLDYCKSKDIVLVAFGALGTQRYKEWVDQDSPVLLNDPVLCGVAKKNKRSPALIALRYLVQRGVVPLAQSFYESEMKENLQVFEFQLSPEDMKILDGLNKNFRYLPAQFFADHPEYPFSEEY,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO,CC(C)=CCC/C(C)=C/CC/C(C)=C\CO>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_2cbfd735a03a2fa407841e28,test
catpreddb_km_km_ce5c5d277e6e22,catpred_iteration1_km,km,O35186,O35186,MWVFKFLLLPVVSFALSPEETLDTQWELWKKTHGKQYNSKVDEISRRLIWEKNLKKISVHNLEASLGAHTYELAMNHLGDMTSEEVVQKMTGLRVPPSRSFSNDTLYTPEWEGRVPDSIDYRKKGYVTPVKNQGQCGSCWAFSSAGALEGQLKKKTGKLLALSPQNLVDCVSENYGCGGGYMTTAFQYVQQNGGIDSEDAYPYVGQDESCMYNATAKAAKCRGYREIPVGNEKALKRAVARVGPVSVSIDASLTSFQFYSRGVYYDENCDRDNVNHAVLVVGYGTQKGNKYWIIKNSWGESWGNKGYVLLARNKNNACGITNLASFPKM,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)OCc3ccccc3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.5331323796458906,,s_17667111b2c803bf65ed50fe,test
catpreddb_km_km_ce64dea9f907bc,catpred_iteration1_km,km,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_km_km_ce6e8f8b26630c,catpred_iteration1_km,km,A0A9E6E518,A0A9E6E518,MSEMTLYGYWRSSAAYRVRIALNLKQLPYEQRSIHLVNNGGEQHSVQFQSLNASELVPVLIDGSVRLNQSLAIIDYLDEQYPSYLLTPLETQSRFLVKALAQDIAVDIHPINNLRVLQYLSNELSVDEAQKSRWYRHWINVGFHSLEKKLSETHGAYCVGDEISLVDVCLVPQVYNAERFSVDLDRYPIIQKVTVSLCRHPAFIAAAPENQPDAVAS,CC(=O)CC(=O)/C=C\C(=O)O,CC(=O)CC(=O)/C=C\C(=O)O,CC(=O)CC(=O)/C=C\C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_d3d474a7bb6454c732e4921f,test
catpreddb_km_km_ce80271153c5cd,catpred_iteration1_km,km,P9WQ75,P9WQ75,MTSGSLQFTVLRAVNPATDAQRESMLREPGFGKYHTDHMVSIDYAEGRGWHNARVIPYGPIELDPSAIVLHYAQEVFEGLKAYRWADGSIVSFRADANAARLRSSARRLAIPELPDAVFIESLRQLIAVDKAWVPGAGGEEALYLRPFIFATEPGLGVRPATQYRYLLIASPAGAYFKGGIAPVSVWVSTEYVRACPGGTGAAKFGGNYAASLLAQAEAAENGCDQVVWLDAVERRYIEEMGGMNIFFVLGSGGSARLVTPELSGSLLPGITRDSLLQLAIDAGFAVEERRIDIDEWQKKAAAGEITEVFACGTAAVITPVARVRHGASEFRIADGQPGEVTMALRDTLTGIQRGTFADTHGWMARLG,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8419848045901139,,s_9bc1fb49bb703ad3f42a9a38,test
catpreddb_km_km_ce8547b3d22a53,catpred_iteration1_km,km,A0A191KCR1,A0A191KCR1,MRALYAAGWLLISTVSMTTANRHRQVIGRNHLNHHHRSQRELAYSPPSYPSPWMDPKAAEWQNAYAKAKAFVSKLTLLEKVNLTTGVGWASEQCVGNTGSVPRLGLRGLCLHDSPLGIRGSDYNSAFPSGQTTAATFDRILMYRRGYAMGKEAKGKGINVLLGPVAGPLGRMPAAGRNWEGFSPDPVLTGVGMAETIKGIQDAGVVACAKHLIGNEQEHFRQAGEDYGFNITEALSSNIDDKTMHELYLWPFVDAVRAGVGSVMCAYTQVNNSYSCQNSYLLNYLLKNELGFQGFVMSDWQAQHAGVSAAVAGLDMSMPGDTTFNTGVSFWGANLTLAVLNGTVPRYRIDDMAMRIMAAFFKVHPDIHLDPVNFSFWTRQTYGPLHWRAGDGYQQVNFHVDVREDHHLLIREIAAKGTVLLKNTGGLPLKKPKFIAVIGDDAGPNPNGPNSCDDRGCNNGTLAMGWGSGTANFPYLITPDAALQARALRDGTRYESVLTNYALEKTETLVSQANATAIVFVNANSGEGYTRVDGNMGDRKNLTLWGNGDDLIKNVSSWCSNTIVVIHSTGPVLLTDWYNSPNITAILWAGLPGQESGNSLVDVLYGDVNPAGRTPFTWGATRESYGVDVMYKPNNDDGAPQQDFDEGVFIDYRYFDREDTPVIYEFGHGLSYTTFNYSNLKIEKHNAEPYKPTTGKTTPAPTFGQDDAYGYTGSEKYLFPPSPFRRITDYIYPYLNSTDPHEASLDPHYGQTAEQFLPPGALRADEQPLLRASGQHQPGGNPGLWDVLYTITADITNMGSVTGDEVPQLYVSLGGPQDPKVVLRGFDRLREIGPGETRQFMARLTRRDLSNWDPVLQDWVVGGHKKTVFVGKSSRKLELSAELP,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.9263424466256552,,s_af42a947021ebd893d029b30,test
catpreddb_km_km_ce900ef9f0d0a7,catpred_iteration1_km,km,A0A059WZ16,A0A059WZ16,MGQNMEIDNFLKIERLAENDLPKFIQLIRLFEAVFEMKNFSIPDSEHLQKLLNQNNFYVFVALLENKIVGGLTSYVLEQYYSEKPLAYIYDLAVDTNWQRQGIGKKLITATNQFYTEKGFEEVFVQADKVDDYALDFYRSTKPTAEEQVVHFYYTLKN,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6777807052660807,,s_8f5c3fd6824a81a0ce6e7e17,test
catpreddb_km_km_ceb26804850e04,catpred_iteration1_km,km,P37201,P37201,MALDKLDLYVIITLVVAIAAYFAKNQFLDQQQDTGFLNTDSGDGNSRDILQALKKNNKNTLLLFGSQTGTAEDYANKLSRELHSRFGLKTMVADFADYDFENFGDITEDILVFFIVATYGEGEPTDNADEFHTWLTEEADTLSTLKYTVFGLGNSTYEFFNAIGRKFDRLLGEKGGDRFAEYGEGDDGTGTLDEDFLAWKDNVFDSLKNDLNFEEKELKYEPNVKLTERDDLSGNDPDVSLGEPNVKYIKSEGVDLTKGPFDHTHPFLARIVKTKELFTSEDRHCVHVEFDISESNLKYTTGDHLAIWPSNSDENIKQFAKCFGLEDKLDTVIELKALDSTYSIPFPNPITYGAVIRHHLEISGPVSRQFFLSIAGFAPDEETKKSFTRIGGDKQEFASKVTRRKFNIADALLFASNNRPWSDVPFEFLIENVQHLTPRYYSISSSSLSEKQTINVTAVVEAEEEADGRPVTGVVTNLLKNIEIEQNKTGETPMVHYDLNGPRGKFSKFRLPVHVRRSNFKLPKNSTTPVILIGPGTGVAPLRGFVRERVQQVKNGVNVGKTVLFYGCRNSEQDFLYKQEWSEYASVLGENFEMFNAFSRQDPTKKVYVQDKILENSALVDELLSSGAIIYVCGDASRMARDVQAAIAKIVAKSRDIHEDKAAELVKSWKVQNRYQEDVW,O=C1C(Cl)=CC(=Nc2ccc(O)cc2)C=C1Cl,O=C1C(Cl)=CC(=Nc2ccc(O)cc2)C=C1Cl,O=C1C(Cl)=CC(=Nc2ccc(O)cc2)C=C1Cl>>,public_strict_iteration1_fulltrue_msa,,-1.1865732926666372,,s_cce092348796a21776416ec0,test
catpreddb_km_km_cec7d92d6c3533,catpred_iteration1_km,km,Q9NY33,Q9NY33,MADTQYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQTSPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSNMGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMFSLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFKEVDGEGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYAPILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQDKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQLLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHELLGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTIASSYEECRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDARVRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPPECFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSERFPEDGPELEEILTQLATADARFWKGPSEAPSGQA,N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=Nc1ccc2ccccc2c1,N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=Nc1ccc2ccccc2c1,N=C(N)NCCC[C@H](N=C(O)[C@@H](N)CCCNC(=N)N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-2.0903000117389854,,s_7dedd52b4f229d3044bbbe67,test
catpreddb_km_km_ceceef3bb001a8,catpred_iteration1_km,km,A0A060S684,A0A060S684,MRLPNLTLLVWAATSVGLVSALPQVSYKADATASAPTVKLHQGTVRGLADDNYGLEQFFGIPYAKPPVGSLRFAKPQPLGPASSHKTVIDATRFGDICMQTVAPSPLYNMSEDCLNLNVVRPKGTTAKDKLPVLVWIYGGAFRQGSTPIYNASELVQKSVEIGKPIVFVAISYRVGPFGFIGGSEIADSDSATSNAGLYDQRLGLKWIRHNIGKFGGDKNRVTLFGQSAGAMSIALQNFAYDGNNHGLWHAAIMNSGGIAPGPLLTPKHPTVEQSFKRLANGVGCTGGSLLRCLRKANASEVQTVASNLTAQAGGTFPIPGALAWLPLVDYELITNYPSVNLPQGKLADIPVIQGNALDEGTSFAQKQLNSSADFERWVRSAAVIHNTSYTEQALQKVFELYPDVPEQGSPFYNAETATSAATTSDLNSRQYPPLTSNQYKRSAAFFGDFTFQAQRRTYLKAATLGWKKNKAKVWSYEFQQNDKFANGTGSLLGPYHGADVKYYFIRPDGRQKDPVLADRMPRAYISFVYHHDPTVLGGFEWPPYGKGKKLLQMKGDNTTVIEDAYRKEAMDALTNRKAAKVFGF,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.5800442515102422,,s_9e06a86c4d466395e96365e4,test
catpreddb_km_km_cf07bc09910d86,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_cf2bb686a1a43c,catpred_iteration1_km,km,P71875,P71875,MSTDTSGVGVREIDAGALPTRYARGWHCLGVAKDYLEGKPHGVEAFGTKLVVFADSHGDLKVLDGYCRHMGGDLSEGTVKGDEVACPFHDWRWGGDGRCKLVPYARRTPRMARTRSWTTDVRSGLLFVWHDHEGNPPDPAVRIPEIPEAASDEWTDWRWNRILIEGSNCRDIIDNVTDMAHFFYIHFGLPTYFKNVFEGHIASQYLHNVGRPDVDDLGTSYGEAHLDSEASYFGPSFMINWLHNRYGNYKSESILINCHYPVTQNSFVLQWGVIVEKPKGMSEEMTDKLSRVFTEGVSKGFLQDVEIWKHKTRIDNPLLVEEDGAVYQLRRWYEQFYVDVADIKPEMVERFEIEVDTKRANEFWNAEVEKNLKSREVSDDVPAEQH,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_17b685d1dec68eb1ef1f91ee,test
catpreddb_km_km_cf2f101a05373f,catpred_iteration1_km,km,Q9FDD4,Q9FDD4,MSSALTDLFPLPIVQAPMAGGVSVPQLAAAVCEAGGLGFLAAGYKTADGMYQEIKRLRGLTGRPFGVNVFMPQPELAESGAVEVYAHQLAGEAAWYETELGDPDGGRDDGYDAKLAVLLDDPVPVVSFHFGVPDREVIARLRRAGTLTLVTATTPEEARAVEAAGADAVIAQGVEAGGHQGTHRDSSEDDGAGIGLLSLLAQVREAVDIPVVAAGGIMRGGQIAAVLAAGADAAQLGTAFLATDESGAPGPHKRALTDPLFARTRLTRAFTGRPARSLVNRFLREHGPYAPAAYPDVHHLTSPLRKAAAKAGDAQGMALWAGQGHRMARELPAGRLVEVLAAELAEARTALSDASRENESRKG,CC[N+](=O)[O-],CC[N+](=O)[O-],CC[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.428134794028789,,s_bc717ed91b40bf007e2a0ed3,test
catpreddb_km_km_cf4614596fa256,catpred_iteration1_km,km,Q88IJ7,Q88IJ7,MSDRYAVIGRPINHTKSPLIHGLFAQASNQQLEYGAIEGSLDDFEAQVLQFRSEGGKGMNITAPFKLRAFELADRRSERAQLARAANALKFEDGRIVAENFDGIGLLRDIEENLGEPLRNRRVLLLGAGGAVRGALLPFLQAGPSELVIANRDMAKALALRNELDHSRLRISRYEALEGQSFDIVVNATSASLTADLPPLPADVLGEAALAYELAYGKGLTPFLRLAREQGQARLADGVGMLVEQAAEAFAWWRGVRPDTRAVINQLTIPLE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.7323937598229685,,s_0c0d843b21f182e40510ca14,test
catpreddb_km_km_cf4918c8956c62,catpred_iteration1_km,km,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1,CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1,CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.3928430512878003,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_km_km_cf4f2ab2ecd1b2,catpred_iteration1_km,km,P05202,P05202,MALLHSSRILSGMAAAFHPGLAAAASARASSWWTHVEMGPPDPILGVTEAFKRDTNSKKMNLGVGAYRDDNGKPYVLPSVRKAEAQIAAKNLDKEYLPIGGLAEFCKASAELALGENNEVLKSGRFVTVQTISGTGALRVGASFLQRFFKFSRDVFLPKPSWGNHTPIFRDAGMQLQGYRYYDPKTCGFDFSGALEDISKIPEQSVLLLHACAHNPTGVDPRPEQWKEIASVVKKKNLFAFFDMAYQGFASGDGDKDAWAVRHFIEQGINVCLCQSYAKNMGLYGERVGAFTVVCKDAEEAKRVESQLKILIRPLYSNPPLNGARIAATILTSPDLRKQWLQEVKGMADRIISMRTQLVSNLKKEGSSHNWQHITDQIGMFCFTGLKPEQVERLTKEFSVYMTKDGRISVAGVTSGNVGYLAHAIHQVTK,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_bff1ba934ac383f9f3ebdce4,test
catpreddb_km_km_cf7b5228ac16ef,catpred_iteration1_km,km,P32811,P32811,MEGGAKSNDVSAAPIAQPLSEDPTDIASNIKYHAQYTPHFSPFKFEPLQAYYAATADSVRDRLIKQWNDTYLHYDKVNPKQTYYLSMEYLQGRALTNAVGNLDIHNAYADALNKLGQQLEEVVEQEKDAALGNGGLGRLASCFLDSMATLNLPAWGYGLRYRYGLFKQLITKAGQEEVPEDWLEKFSPWEIVRHDVVFPIRFFGHVEVLPSGSRKWVGGEVLQALAYDVPIPGYRTKNTNSLRLWEAKASSEDFNLFLFNDGQYDAAAQLHSRAQQICAVLYPGDATENGKLLRLKQQFFLCSASLQDIIARFKEREDGKGSHQWSEFPKKVAIQLNDTHPTLTIPELMRLLMDDEGLGWDESWNITTRTIAYTNHTVLPEALEKWSQAVMWKLLPRHMEIIEEIDKRFVATIMSERPDLENKMPSMRILDHNATKPVVHMANLCVVSSHTVNGVAQLHSDILKAELFADYVSVWPTKFQNKTNGITPRRWIRFCSPELSHIITKWLKTDQWVTNLELLANLREFADNSELHAEWESAKMANKQRLAQYILHVTGVSIDPNSLFDIQVKRIHEYKRQLLNILGVIYRYKKLKGMSPEERKNTTPRTVMIGGKAFATYTNAKRIVKLVTDVGDVVNSDPDVNDYLKVVFVPNYNVSVAEMLIPGSELSQHISTAGMEASGTSNMKFALNGCLIIGTLDGANVEIREEIGEDNFFLFGATADEVPQLRKDRENGLFKPDPRFEEAKQFIRSGAFGTYDYNPLLESLEGNSGYGRGDYFLVGHDFPSYMDAQARVDEAYKDRKRWIKMSILSTSGSGKFSSDRTISQYAKEIWNIAECRVP,O=P(O)(O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2041199826559248,,s_2800d25335d28e804e4d45a0,test
catpreddb_km_km_cf81f741bf7465,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_cf894ea8ec2873,catpred_iteration1_km,km,Q2UCU3,Q2UCU3,MKLLSVAAVALLAAQAAGASIKHRLNGFTILEHPDPAKRDLLQDIVTWDDKSLFINGERIMLFSGEVHPFRLPVPSLWLDIFHKIRALGFNCVSFYIDWALLEGKPGDYRAEGIFALEPFFDAAKEAGIYLIARPGSYINAEVSGGGFPGWLQRVNGTLRSSDEPFLKATDNYIANAAAAVAKAQITNGGPVILYQPENEYSGGCCGVKYPDADYMQYVMDQARKADIVVPFISNDASPSGHNAPGSGTGAVDIYGHDSYPLGFDCANPSVWPEGKLPDNFRTLHLEQSPSTPYSLLEFQAGAFDPWGGPGFEKCYALVNHEFSRVFYRNDLSFGVSTFNLYMTFGGTNWGNLGHPGGYTSYDYGSPITETRNVTREKYSDIKLLANFVKASPSYLTATPRNLTTGVYTDTSDLAVTPLIGDSPGSFFVVRHTDYSSQESTSYKLKLPTSAGNLTIPQLEGTLSLNGRDSKIHVVDYNVSGTNIIYSTAEVFTWKKFDGNYGGPKEHHELAIASKSNVTIIEGSDSGIVSTRKGSSVIIGWDVSSTRRIVQVGDLRVFLLDRNSAYNYWVPELPTEGTSPGFSTSKTTASSIIVKAGYLLRGAHLDGADLHLTADFNATTPIEVIGAPTGAKNLFVNGEKASHTVDKNGIWSSEVKYAAPEIKLPGLKDLDWKYLDTLPEIKSSYDDSAWVSADLPKTKNTHRPLDTPTSLYSSDYGFHTGYLIYRGHFVANGKESEFFIRTQGGSAFGSSVWLNETYLGSWTGADYAMDGNSTYKLSQLESGKNYVITVVIDNLGLDENWTVGEETMKNPRGILSYKLSGQDASAITWKLTGNLGGEDYQDKVRGPLNEGGLYAERQGFHQPQPPSESWESGSPLEGLSKPGIGFYTAQFDLDLPKGWDVPLYFNFGNNTQAARAQLYVNGYQYGKFTGNVGPQTSFPVPEGILNYRGTNYVALSLWALESDGAKLGSFELSYTTPVLTGYGNVESPEQPKYEQRKGAY,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.0170333392987803,,s_b1a0aa9b12cc17afc4af802b,test
catpreddb_km_km_cfb6863e66b397,catpred_iteration1_km,km,Q3JFG0,Q3JFG0,MAGAPGRRRSVRRRAALPALPATKQTQPPKQHERAAEAPSPEPQADTPYRTPTMTTPVFDAAQTARVTPFAELVDALRTAALDADAGRIESPARLVVPLNEGGVMLSMPASAADLAIHKLVTVCPRNRGGDLPTIQGQVSVVDPATGAPLFALDGPTVTGRRTAAVTLLALRTFVAAAPRDVLLIGTGTQAAHHVEALAALFPGVRVRVKARAPAQAAAFCARLRAVLPTLEPLGGDTLPETLDAVITATTSATPVYDDAARAGRLVVGVGAFTPGAAEVGARTIAGSALYVDDPAGARHEAGDLIVAGVDWARVRSLADALRATVSTPASNASPAPGAPVFFKSVGCAAWDLAACRVARAVTSRTRACT,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1>>,public_strict_iteration1_fulltrue_msa,,0.6487708339090799,,s_19ed6e5da2719650b2a814ae,test
catpreddb_km_km_cfb93f554fd63a,catpred_iteration1_km,km,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3279021420642826,,s_731307d31ab453cb17afec38,test
catpreddb_km_km_cfde673813a3c2,catpred_iteration1_km,km,P08870,P08870,MKPYQRQFIEFALNKQVLKFGEFTLKSGRKSPYFFNAGLFNTGRDLALLGRFYAEALVDSGIEFDLLFGPAYKGIPIATTTAVALAEHHDKDLPYCFNRKEAKDHGEGGSLVGSALQGRVMLVDDVITAGTAIRESMEIIQAHGATLAGVLISLDRQERGRGEISAIQEVERDYGCKVISIITLKDLIAYLEEKPDMAEHLAAVRAYREEFGV,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,O=C(O)c1cc(=O)[nH]c(=O)[nH]1,O=C(O)c1cc(=O)[nH]c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_7feaccd07caa3ea6924ecd2d,test
catpreddb_km_km_cff2248c9ed911,catpred_iteration1_km,km,Q68CP4,Q68CP4,MTGARASAAEQRRAGRSGQARAAERAAGMSGAGRALAALLLAASVLSAALLAPGGSSGRDAQAAPPRDLDKKRHAELKMDQALLLIHNELLWTNLTVYWKSECCYHCLFQVLVNVPQSPKAGKPSAAAASVSTQHGSILQLNDTLEEKEVCRLEYRFGEFGNYSLLVKNIHNGVSEIACDLAVNEDPVDSNLPVSIAFLIGLAVIIVISFLRLLLSLDDFNNWISKAISSRETDRLINSELGSPSRTDPLDGDVQPATWRLSALPPRLRSVDTFRGIALILMVFVNYGGGKYWYFKHASWNGLTVADLVFPWFVFIMGSSIFLSMTSILQRGCSKFRLLGKIAWRSFLLICIGIIIVNPNYCLGPLSWDKVRIPGVLQRLGVTYFVVAVLELLFAKPVPEHCASERSCLSLRDITSSWPQWLLILVLEGLWLGLTFLLPVPGCPTGYLGPGGIGDFGKYPNCTGGAAGYIDRLLLGDDHLYQHPSSAVLYHTEVAYDPEGILGTINSIVMAFLGVQAGKILLYYKARTKDILIRFTAWCCILGLISVALTKVSENEGFIPVNKNLWSLSYVTTLSSFAFFILLVLYPVVDVKGLWTGTPFFYPGMNSILVYVGHEVFENYFPFQWKLKDNQSHKEHLTQNIVATALWVLIAYILYRKKIFWKI,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O,N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4773385106066712,,s_6f365b9098ed024004ad8897,test
catpreddb_km_km_d01196365ceb7e,catpred_iteration1_km,km,A0A0H3U0Y7,A0A0H3U0Y7,MPSQAALLIGDIVHARAEWEALSSLVTLKEFPEGGREKFLENCKSGQYDDVIAIYRSNISTKHTGPFDRELISALPKSVKYICHNGAGYDNIDVDAATEAGIAISSTPIAVNNATADVAIFLMIGALRQAYVPITAIRAGEWHGKTTLGHDPNGKTLGILGMGGIGREVARRARAFGMNIIYHNRNKLPPELEDGAKYVSFDELLAQSDVFSLNLALNASTRHIIGEKELAKMKDGVVIVNPARGALIDEKALVRALESGKVASVGLDVYENEPQVEPGLLNNPRAMLLPHIGTMTYETQKEMELLVLNNLRSAIEKGELLTQVPEQKKR,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6127838567197355,,s_3709e4167317c8b0cde403d5,test
catpreddb_km_km_d027351fa58c29,catpred_iteration1_km,km,Q9BKL3,Q9BKL3,MSANNVKPFTVFVEGNIGSGKTTFLEHFRQFEDITLLTEPVEMWRDLKGCNLLELMYKDPEKWAMTFQSYVSLTMLDMHRRPAPTPVKLMERSLFSARYCFVEHIMRNNTLHPAQFAVLDEWFRFIQHNIPIDADLIVYLKTSPSIVYQRIKKRARSEEQCVPLSYIEELHRLHEDWLINRIHAECPAPVLVLDADLDLSQITDEYKRSEHQILRKAVNVVMSSPNKHSPKKPISTTPIKITPHMRIL,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-1.815308569182401,,s_5ad77e9ef5727a1c2da6bd8c,test
catpreddb_km_km_d02d5545fe7bd7,catpred_iteration1_km,km,E9LVH8,E9LVH8,MANPYERGPNPTDALLEASSGPFSVSEENVSRLSASGFGGGTIYYPRENNTYGAVAISPGYTGTEASIAWLGERIASHGFVVITIDTITTLDQPDSRAEQLNAALNHMINRASSTVRSRIDSSRLAVMGHSMGGGGTLRLASQRPDLKAAIPLTPWHLNKNWSSVTVPTLIIGADLDTIAPVATHAKPFYNSLPSSISKAYLELDGATHFAPNIPNKIIGKYSVAWLKRFVDNDTRYTQFLCPGPRDGLFGEVEEYRSTCPF,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.0356042499416218,,s_622f654e005640bab6abcb8a,test
catpreddb_km_km_d04ce6f935e2a3,catpred_iteration1_km,km,B2ZHM6,B2ZHM6,MAEALEVFVKAATGAPDKLGDCPFSQRVLLTLEEKQVPYNMKLIDTSNKPEWFLQINPEGKVPVIKIDDKWIPDSDVITQILEEKYPEPPLATPPEKATVGSKIFSTFIGFLKSKDPNDGTEQALLNELRAFDEYLKDNGPFINGEKISAADLSLAPKLYHMKVALGHFKKWSVPEEFTYVQSYMKAVFSRESFQRTNAADEQYIIAGWFPKVNA,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O,O=C1O[C@H]([C@@H](O)CO)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_80559dadf76019b5f34f3c20,test
catpreddb_km_km_d08fd77bec396b,catpred_iteration1_km,km,Q9FM01,Q9FM01,MVKICCIGAGYVGGPTMAVIALKCPDIEVAVVDISVPRINAWNSDQLPIYEPGLDDIVKQCRGKNLFFSTDVEKHVREADIVFVSVNTPTKTTGLGAGKAADLTYWESAARMIADVSVSDKIVVEKSTVPVKTAEAIEKILMHNSKGIKFQILSNPEFLAEGTAIADLFNPDRVLIGGRETPEGFKAVQTLKEVYANWVPEGQIITTNLWSAELSKLAANAFLAQRISSVNAMSALCESTGADVTQVSYAVGTDSRIGSKFLNASVGFGGSCFQKDILNLVYICQCNGLPEVAEYWKQVIKINDYQKNRFVNRIVSSMFNTVSNKKVAILGFAFKKDTGDTRETPAIDVCKGLLGDKAQISIYDPQVTEEQIQRDLSMKKFDWDHPLHLQPMSPTTVKQVSVTWDAYEATKDAHAVCVLTEWDEFKSLDYQKIFDNMQKPAFIFDGRNIMNVNKLREIGFIVYSIGKPLDPWLKDMPAFV,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.7670038896078462,,s_cc8f51264cc8738c008b4521,test
catpreddb_km_km_d09749f92cc89b,catpred_iteration1_km,km,B0ZB56,B0ZB56,MELARNDQTEAALRGEANVWKSINGIADFMVMKCALELRIPDIVHSHSAPITLAQIASSVPDSPSLNLSYLSRIMRLLVRRKIFSQHKSLDGEEVLYGPTHSSRLLLSKTTLPDQVTLAPFVAFMTHPYLSAPWSCLARCVKEGGNGFEMVHGGRQLWDLSPGNPEFNKVFNDGMASTARITTMAILSEYRDVFCGICSLVDVGGEFGGSISAIVKSHPHIKGINYDLPHVVATAPTYTGLVSHVGGNMFEWIPTAVAVFMKWILHDWADEDCVKILKNCRRAMPEKGGKIIIVDIVLEPEGNGLFDDAAVMLDIALMALTRGKERTEKEWKRVLEEGGFPRYQILKIPALTSVIEAYPQ,COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1,COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_326aeb57bc380be7a0794e2a,test
catpreddb_km_km_d099d36427fe35,catpred_iteration1_km,km,Q9CKB0,Q9CKB0,MKNLKGIFSALLVSFNADGSINEKGLRQIVRYNIDKMKVDGLYVGGSTGENFMLSTEEKKEIFRIAKDEAKDEIALIAQVGSVNLQEAIELGKYATELGYDSLSAVTPFYYKFSFPEIKHYYDSIIEATGNYMIVYSIPFLTGVNIGVEQFGELYKNPKVLGVKFTAGDFYLLERLKKAYPNHLIWAGFDEMMLPAASLGVDGAIGSTFNVNGVRARQIFELTQAGKLKEALEIQHVTNDLIEGILANGLYLTIKELLKLDGVEAGYCREPMTKELSPEKVAFAKELKAKYLS,CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.342422680822206,,s_4e42204780ed0b8eec266a30,test
catpreddb_km_km_d0abbbaac7291b,catpred_iteration1_km,km,P56937,P56937,MRKVVLITGASSGIGLALCKRLLAEDDELHLCLACRNMSKAEAVCAALLASHPTAEVTIVQVDVSNLQSVFRASKELKQRFQRLDCIYLNAGIMPNPQLNIKALFFGLFSRKVIHMFSTAEGLLTQGDKITADGLQEVFETNVFGHFILIRELEPLLCHSDNPSQLIWTSSRSARKSNFSLEDFQHSKGKEPYSSSKYATDLLSVALNRNFNQQGLYSNVACPGTALTNLTYGILPPFIWTLLMPAILLLRFFANAFTLTPYNGTEALVWLFHQKPESLNPLIKYLSATTGFGRNYIMTQKMDLDEDTAEKFYQKLLELEKHIRVTIQKTDNQARLSGSCL,CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O,CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O,CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_20d8b766c0a6b2c809342f00,test
catpreddb_km_km_d0bbb0fe2cfdc2,catpred_iteration1_km,km,Q76IQ9,Q76IQ9,MKYGYFDNDNREYVITRPDVPAPWTNYLGTEKFCTVISHNAGGYSFYNSPEYNRVTKFRPNATFDRPGHYVYLRDDDSGDYWSISWQPVAKSLDEAQYQIRHGLSYSKFQCDYNGIHARKTLFVPKGEDAEIWDVVIKNTSDQVRTISAFSFVEFSFSHIQSDNQNHQMSLYSAGTAYRPGLIEYDLYYNTDDFEGFYYLASTFDPDSYDGQRDRFLGLYRDEANPLAVEQGRCSNSAQTCYNHCGSLHKQFTLQPGEEIRFAYILGIGKGNGERLREHYQDVANIDAAFAAIKAHWDERCAKFQVKSPNQGLDTMINAWTLYQAETCVVWSRFASFIEVGGRTGLGYRDTAQDAISVPHANPEMTRKRIVDLLRGQVKAGYGLHLFDPDWFDPEKEDVAPSKSPTVVPTPSDEDKIHGIKDTCSDDHLWLIPTICKYVMETGETSFFDQMIPYADGGEASVYEHMKAALDFSAEYVGQTGICKGLRADWNDCLNLGGGESSMVSFLHFWALQEFIDLAKFLGKDQDVNTYTEMAANVREACETHLWDDEGGWYIRGLTKNGDKIGTAQQQEGRVHLESNTLAVLSGLASQERGEQAMDAVDEHLFSPYGLHLNAPSFSTPNDDIGFVTRVYQGVKENGAIFSHPNPWAWVAETKLGRGDRAMKFYDALNPYNQNDIIEKRIAEPYSYVQFIMGRDHQDHGRANHPWLTGTSGWAYFAVTNYILGVQSGFTGLSVDPCIPSDWPGFEVTRQWRGATYHIQVENPDHVSKGVKSITLNGAPIQGRIPPQAQGSDNQVVVVLG,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.1139433523068367,,s_d24d15431a8db96d17b3098d,test
catpreddb_km_km_d0c16ad40206b9,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.1427022457376157,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_d0c8f3feae0a8c,catpred_iteration1_km,km,Q9UVQ5,Q9UVQ5,MAKFQSLLTFITLSLVASVYASIGPVADLTISNGAVSPDGFSRQAILVNDVFPSPLITGNKGDRFQLNVIDNMTNHTMLKSTSIHWHGFFQHGTNWADGPAFVNQCPISTGHAFLYDFQVPDQAGTFWYHSHLSTQYCDGLRGPIVVYDPQDPHKSLYDVDDDSTVITLADWYHLAAKVGPAVPTADATLINGLGRSISTLNADLAVITVTKGKRYRFRLVSLSCDPNHTFSIDGHSLTVIEADSVNLKPQTVDSIQIFAAQRYSFVLNADQDVDNYWIRALPNSGTRNFDGGVNSAILRYDGAAPVEPTTTQTPSTQPLVESALTTLEGTAAPGNPTPGGVDLALNMAFGFAGGRFTINGASFTPPTVPVLLQILSGAQSAQDLLPSGSVYSLPANADIEISLPATSAAPGFPHPFHLHGHTFAVVRSAGSSTYNYANPVYRDVVSTGSPGDNVTIRFRTDNPGPWFLHCHIDFHLEAGFAVVMAEDIPDVAATNPVPQAWSDLCPTYDALSPDDQ,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-2.8952424927286846,,s_7be56673c21fd425bdc26c98,test
catpreddb_km_km_d0d7a80501ebb5,catpred_iteration1_km,km,Q8TGI8,Q8TGI8,MRNGLLKVAALAAASAVNGENLAYSPPFYPSPWANGQGDWAEAYQKAVQFVSQLTLAEKVNLTTGTGWEQDRCVGQVGSIPRLGFPGLCMQDSPLGVRDTDYNSAFPAGVNVAATWDRNLAYRRGVAMGEEHRGKGVDVQLGPVAGPLGRSPDAGRNWEGFAPDPVLTGNMMASTIQGIQDAGVIACAKHFILYEQEHFRQGAQDGYDISDSISANADDKTMHELYLWPFADAVRAGVGSVMCSYNQVNNSYACSNSYTMNKLLKSELGFQGFVMTDWGGHHSGVGSALAGLDMSMPGDIAFDSGTSFWGTNLTVAVLNGSIPEWRVDDMAVRIMSAYYKVGRDRYSVPINFDSWTLDTYGPEHYAVGQGQTKINEHVDVRGNHAEIIHEIGAASAVLLKNKGGLPLTGTERFVGVFGKDAGSNPWGVNGCSDRGCDNGTLAMGWGSGTANFPYLVTPEQAIQREVLSRNGTFTGITDNGALAEMAAAASQADTCLVFANADSGEGYITVDGNEGDRKNLTLWQGADQVIHNVSANCNNTVVVLHTVGPVLIDDWYDHPNVTAILWAGLPGQESGNSLVDVLYGRVNPGKTPFTWGRARDDYGAPLIVKPNNGKGAPQQDFTEGIFIDYRRFDKYNITPIYEFGFGLSYTTFEFSQLNVQPINAPPYTPASGFTKAAQSFGQPSNASDNLYPSDIERVPLYIYPWLNSTDLKASANDPDYGLPTEKYVPPNATNGDPQPIDPAGGAPGGNPSLYEPVARVTTIITNTGKVTGDEVPQLYVSLGGPDDAPKVLRGFDRITLAPGQQYLWTTTLTRRDISNWDPVTQNWVVTNYTKTIYVGNSSRNLPLQAPLKPYPGI,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.6419983281826005,,s_75ed30970c46263bfbfb163d,test
catpreddb_km_km_d0d7ca14c3c7ad,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)C(NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2C1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_d0fcc6f65f12fa,catpred_iteration1_km,km,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H](CO)C(O)=N[C@H]2CSSC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc3c[nH]c4ccccc34)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C2O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](Cc2ccccc2)C(O)=N1)C(O)=N[C@H](C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(=N)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC,CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H](CO)C(O)=N[C@H]2CSSC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc3c[nH]c4ccccc34)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C2O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](Cc2ccccc2)C(O)=N1)C(O)=N[C@H](C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(=N)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC,CC[C@H](C)[C@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@@H]1CSSC[C@H](N)C(O)=N[C@@H](CO)C(O)=N[C@H]2CSSC[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc3c[nH]c4ccccc34)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C2O)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](Cc2ccc(O)cc2)C(O)=N[C@@H](Cc2ccccc2)C(O)=N1)C(O)=N[C@H](C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NCC(O)=N[C@@H](CC(=N)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_9c1c54ef2ef457891b120064,test
catpreddb_km_km_d10aa34c81d12a,catpred_iteration1_km,km,E8MF13,E8MF13,MTSTGRFTLPSEENFAEKTKELAELWGADAIRNSDGTHLDEAVLALGKKIYNAYFPTRAHNEWITLHMDETPQVYLLTDRILAESDTVDIPLMESFFAEQLKPNRDADPHKYWEVVDRTTGEVVDSANWTLDADEDTVHVSGVAAWHEYTVSFLAYIIWDPVEMYNHLTNDWGDKEHEIPFDIYHPATRKFVFDTFEQWLKDSPQTDVVRFTTFFYQFTLLFDEKRREKVVDWFGCACTVSPRALDDFEAKYGYRLRPEDFVDGGAYNSAWRVPRKAQRDWIDFLSGFVRENVKQLADMSHAAGKEAMMFLGDQWIGTEPYKDGFDELGLDAVVGSIGDGTTTRMIADIPGVKYTEGRFLPYFFPDTFYEGNDPSIEGLDNWRKARRAILRSPISRMGYGGYLSLAAKFPKFVDTVTHIANEFRDIHDRTGGVAAEGELNVAILNSWGKMRSWMAFTVAHALPNKQTYSYYGILESLSGMRVNVRFISFDDVLAHGIDSDIDVIINGGPVDTAFTGGDVWTNPKLVETVRAWVRGGGAFVGVGEPSSAPRFQTGRFFQLADVIGVDEERYQTLSVDKYFPPVVPDHFITADVPVDPAAREAWEQAGYRIPLSGCGGGQSIKPLGGIDFGEPVLNTYPVNENVTLLRADGGQVQLATNDYGKGRGVYISGLPYSAANARLLERVLFYASHNEDKYAAWSSSNPECEVAHFPEQGLYCVINNTDQPQKTTVTLADGTTEDFDLPDSGIAWREA,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.8864907251724818,,s_28331dccad3aff757c897b72,test
catpreddb_km_km_d125b120a5af72,catpred_iteration1_km,km,P24665,P24665,MKFSTILTGSLFATAALAAPLTEKRRARKEARAAGKRHSNPPYIPGSDKEILKLNGTTNEEYSSNWAGAVLIGDGYTKVTGEFTVPSVSAGSSGSSGYGGGYGYWKNKRQSEEYCASAWVGIDGDTCETAILQTGVDFCYEDGQTSYDAWYEWYPDYAYDFSDITISEGDSIKVTVEATSKSSGSATVENLTTGQSVTHTFSGNVEGDLCETNAEWIVEDFESGDSLVAFADFGSVTFTNAEATSGGSTVGPSDATVMDIEQDGSVLTETSVSGDSVTVTYV,CSCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(=O)O)[C@@H](C)O,CSCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(=O)O)[C@@H](C)O,CSCC[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](C)C(=O)O)[C@@H](C)O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_874a36db5b07813dd2a06872,test
catpreddb_km_km_d12b589a3ab16d,catpred_iteration1_km,km,C5NSV0,C5NSV0,MKVDIIEKLPLTESPAAAVNITKLAAEDLTESLASSAFPAPLEVFHFVFAPKKTEKTNEGDVDPRELGRFPRCFVTNEAGLLAVATSCKFAGKHGEVVEFFATTKDGGFLAEALVGCGKEEGFKASDAHSLAQSVAKVVGQRNCKTVVLELDGFEVDVLEAMVVGLLNHLSVDKRFRKDSKTKYELETVHVVAGALVNVEAFGERCKVLTKAMHVTRELVSAPANYANTVSIANFVTEKYTKLGLTVKVLKEEECLELGMGSYLGVSQGSLHPPRFLHATYKGEGPTKVKIAFVGKGIMFDSGGYNIKSASSQIETMKMDMGGMSTIFGVADVLAALKPKGVEVHFISATCENMVDSTAQRPGDIVTASNGKTIEVVNTDAEGRLTLADALVYAEKLEVDYIIDVATLTGGCIIALGYKYAAFFTDDEDLNNRFVKALDKAGELAWRLPIAKEYTDCLESKIADLSNTSYTVKCSSIAATLFLKEFVKSTKWLHWDIAGTAQDNSSLRGTGYGVRTLVNLVFDLAGES,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)Cc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)Cc3ccccc3)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)Cc3ccccc3)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.9665762445130504,,s_9cc6c1623917d877b3099a50,test
catpreddb_km_km_d13a3f6b4ec445,catpred_iteration1_km,km,P9WHK7,P9WHK7,MRKHPQTATKHLFVSGGVASSLGKGLTASSLGQLLTARGLHVTMQKLDPYLNVDPGTMNPFQHGEVFVTEDGAETDLDVGHYERFLDRNLPGSANVTTGQVYSTVIAKERRGEYLGDTVQVIPHITDEIKRRILAMAQPDADGNRPDVVITEIGGTVGDIESQPFLEAARQVRHYLGREDVFFLHVSLVPYLAPSGELKTKPTQHSVAALRSIGITPDALILRCDRDVPEALKNKIALMCDVDIDGVISTPDAPSIYDIPKVLHREELDAFVVRRLNLPFRDVDWTEWDDLLRRVHEPHETVRIALVGKYVELSDAYLSVAEALRAGGFKHRAKVEICWVASDGCETTSGAAAALGDVHGVLIPGGFGIRGIEGKIGAIAYARARGLPVLGLCLGLQCIVIEAARSVGLTNANSAEFDPDTPDPVIATMPDQEEIVAGEADLGGTMRLGSYPAVLEPDSVVAQAYQTTQVSERHRHRYEVNNAYRDKIAESGLRFSGTSPDGHLVEFVEYPPDRHPFVVGTQAHPELKSRPTRPHPLFVAFVGAAIDYKAGELLPVEIPEIPEHTPNGSSHRDGVGQPLPEPASRG,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_e0ed7aff493d7c51494ea2e7,test
catpreddb_km_km_d161cd2acd9855,catpred_iteration1_km,km,Q3ZFI4,Q3ZFI4,MASSLKKLITSFLLFFFYTIIVASSEPSCRRYKSIISFGDSIADTGNYLHLSDVNHPPQAAFLPYGETFFSVPTGRDSDGRLIIDFIAEFLGLPYVPPYFGSQNVSFEQGVNFAVYGATALDRAFFIEKGIVSDFTNVSLSVQLNTFKQILPTLCASSSRDCREMLGDSLILMGESGGNDYNYPFFEDKSINEIKELTPLIIKAISDAIVDLIDLGGKTFLVPGSFPVGCSAAYLTLFQTAKEKDYDPLTGCLPWLNDFGKHHDEQLKTEIRRLRKLYPHVNIMYADYYNSLYRLYQKPTKYGFKNRPLAACCGVGGQYNFTIGEECGYEGVGYCQNPSEYINWDGYHITEAAHQKMAHGILNGPYATPAFNWSCLDAASVDNESSFGS,COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O,COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O,COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-2.273080531101493,,s_0d1c5c7c65b126e6daf574bd,test
catpreddb_km_km_d180ad08409ac7,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8247945391390106,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_d19e2c7e756639,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1,O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1,O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3279021420642826,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_d1a22d2d728c3d,catpred_iteration1_km,km,E2JA31,E2JA31,MSILNNKEVIVIIDAWSGGKHLIPAFQALGYFCLHVQSTFLPEVFIADNQLAIARSDRHIVHDGNIETLLSQLQPYTIKAILAGSEGAVGLADCLNDALELTFSNQFELSAARRNKYLMQEQLALKGVASINQQLAGHSDELKQWLAGHAHWPVVLKPIQSAGTDGVFICHDLAQALQAFEAILAKKDFFGSPNREVLCQEFLAGEEFVVNGIACQGEYFFTELWQSKKQQRNGFPVYETQYLHYQNDAGFDVLTAYTVQVCQTLGINNGAFHAEVMMTSGGPVLIEIGARVAGGADPYIIEECLGHSQISKLAQAVLHPAKFLQECRRQHDFSGHRRAAYVYMISPSPGRVQVSPEEKFIKIDGVISINYHYAPGDIQQETCDLLSSPGVIIAIRDNPALLKQTIAEIRDVEADFYHLGLIDE,CC(C)C[C@H](N)C(=O)O,CC(C)C[C@H](N)C(=O)O,CC(C)C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.893206753059848,,s_dd231b207901506b1bef7a84,test
catpreddb_km_km_d1aaea88f2d4dd,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,COC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.431798275933005,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_d1be9ca11aa10f,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O,CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O,CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.2676062401770314,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_d1e3feaab5e990,catpred_iteration1_km,km,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O,C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O,C=CC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\N=C(O)C(C)=C4C=C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)N=C1O>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_km_km_d1e5d6163206be,catpred_iteration1_km,km,A0A7I8I5R5,A0A7I8I5R5,MYDLIVIGAGSGGVRASRISAGHGAKVALIEPSLSHGPPNFSAVGGTCVNVGCVPKKLMVYGSHMSHDLHYAKSYGWHTPDHVAHDWGTLMANKDKEISRLNGVYINMLKNSGVDLIQGFGSFVDAHTVAIKADQAENPAGRTITGDKVLIATGSWPFVPDIPGKEYCVTSNEAFYLRECPKRIVIVGGGYIAVEFACIFKGYGADVTLMYRGEMFLRGFDDDIRRHLCTEMQELGVHVQLQTNPAKVEKKEDGTYEVTTEKGEVVAADLVMYATGRNPNVKALGLEAVGVELLPKNGAIKVDAYSRTTVDNIYAVGDVTDRINLTPVALHEGHCLADTLFGGKDRKPCHDLVAAAVFSQPPIGTVGLTTERAIQRHERVAVYKSTFRPMLHTMTGAATKALMKILVDVDTDKVLGVHMCGPDAAEIIQGIAIALKMGATKADFDATIGIHPSSAEEFVTMRSPAYYYVKGEKVEKLP,NCCCCNCCCN=C(O)CN=C(O)[C@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN)N=C(O)CC[C@H](N)C(=O)O,NCCCCNCCCN=C(O)CN=C(O)[C@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN)N=C(O)CC[C@H](N)C(=O)O,NCCCCNCCCN=C(O)CN=C(O)[C@H](CSSC[C@H](N=C(O)CC[C@H](N)C(=O)O)C(O)=NCC(O)=NCCCNCCCCN)N=C(O)CC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0409586076789064,,s_0c8b8c2eb2d3f1d4266374b8,test
catpreddb_km_km_d1f6cc56acd7d3,catpred_iteration1_km,km,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,COc1cc(C(=O)O)ccc1O,COc1cc(C(=O)O)ccc1O,COc1cc(C(=O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-1.0268721464003014,,s_a6bfd646457ffec3f91681c4,test
catpreddb_km_km_d21aff2a8d6e95,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.3467874862246565,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_d21c4317a244fe,catpred_iteration1_km,km,P18054,P18054,MGRYRIRVATGAWLFSGSYNRVQLWLVGTRGEAELELQLRPARGEEEEFDHDVAEDLGLLQFVRLRKHHWLVDDAWFCDRITVQGPGACAEVAFPCYRWVQGEDILSLPEGTARLPGDNALDMFQKHREKELKDRQQIYCWATWKEGLPLTIAADRKDDLPPNMRFHEEKRLDFEWTLKAGALEMALKRVYTLLSSWNCLEDFDQIFWGQKSALAEKVRQCWQDDELFSYQFLNGANPMLLRRSTSLPSRLVLPSGMEELQAQLEKELQNGSLFEADFILLDGIPANVIRGEKQYLAAPLVMLKMEPNGKLQPMVIQIQPPNPSSPTPTLFLPSDPPLAWLLAKSWVRNSDFQLHEIQYHLLNTHLVAEVIAVATMRCLPGLHPIFKFLIPHIRYTMEINTRARTQLISDGGIFDKAVSTGGGGHVQLLRRAAAQLTYCSLCPPDDLADRGLLGLPGALYAHDALRLWEIIARYVEGIVHLFYQRDDIVKGDPELQAWCREITEVGLCQAQDRGFPVSFQSQSQLCHFLTMCVFTCTAQHAAINQGQLDWYAWVPNAPCTMRMPPPTTKEDVTMATVMGSLPDVRQACLQMAISWHLSRRQPDMVPLGHHKEKYFSGPKPKAVLNQFRTDLEKLEKEITARNEQLDWPYEYLKPSCIENSVTI,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O,CCCCCC=CCC=CCC=CCC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.32185775105475,,s_b8c0da372cb95f619176f62b,test
catpreddb_km_km_d2270bc5a49cb5,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=C(CO)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)CO,O=C(CO)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_d24e9c1465c079,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,O=CCc1ccccc1,O=CCc1ccccc1,O=CCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,1.9268491058880877,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_d2a7c6125044ee,catpred_iteration1_km,km,P39662,P39662,MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRSYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_42f09b2f4e6b98947cec5e09,test
catpreddb_km_km_d2d913fdae25dd,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)Cc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_d2e25ac75efd14,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,O=CC(=O)[O-],O=CC(=O)[O-],O=CC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_d2f185ddcb798a,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_d325b12a765339,catpred_iteration1_km,km,A0A2X0SE53,A0A2X0SE53,MATNFFIQPITEEAEAYYPPSVITNKRKDLGVDVYCCSDLVLQPGLNIVRLHIKVACEHMGKKCGFKIMARSSMCTHERLLILANGIGLIDPGYVGELMLKIINLGDTPVQIWAKECLVQLVAQGDHVPDHINILKRNQIFPLFAPTPRGEGRFGSTGEAGIMRT,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1,O=c1nc(O)ccn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,0.5784099703312358,,s_d93abe14db0f359648a3e409,test
catpreddb_km_km_d325b6c87f909e,catpred_iteration1_km,km,P30235,P30235,MREKDYVVIIGSANIDVAGYSHESLNYADSNPGKIKFTPGGVGRNIAQNLALLGNKAWLLSAVGSDFYGQSLLTQTNQSGVYVDKCLIVPGENTSSYLSLLDNTGEMLVAINDMNISNAITAEYLAQHGEFIQRAKVIVADCNISEEALAWILDNAANVPVFVDPVSAWKCVKVRDRLNQIHTLKPNRLEAETLSGIALSGREDVAKVAAWFHQHGLNRLVLSMGGDGVYYSDISGESGWSAPIKTNVINVTGAGDAMMAGLASCWVDGMPFAESVRFAQGCSSMALSCEYTNNPDLSIANVISLVENAECLN,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_7866c413ef1b3a3833a78b0d,test
catpreddb_km_km_d343c9385a8945,catpred_iteration1_km,km,Q9N1N9,Q9N1N9,MQSWGTIICIRILLRFLLLWVLIGNSHTEEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTKKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTKAEEILSRSIMKRWANFAKYGNPNGTQSNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C,CCCC(=O)SCC[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,-3.9746941347352296,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_d35050656d6b82,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1553360374650617,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_d3624f06b4b157,catpred_iteration1_km,km,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,NCC(=O)N1CCC[C@H]1C(=O)O,NCC(=O)N1CCC[C@H]1C(=O)O,NCC(=O)N1CCC[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1739251972991735,,s_668310886d09794f507cf2a6,test
catpreddb_km_km_d3ac2a5a323c14,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCCCC1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_d3af3d4dbbfcfc,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,CC(=O)OCC(COC(C)=O)OC(C)=O,CC(=O)OCC(COC(C)=O)OC(C)=O,CC(=O)OCC(COC(C)=O)OC(C)=O>>,public_strict_iteration1_fulltrue_msa,,1.0,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_d3b3c8fb1617a6,catpred_iteration1_km,km,A0A6A5PPK7,A0A6A5PPK7,MRISSTLLQRSKQLIDKYALYVPKTGSFPKGFEVGYTASGVKKNGSLDLGVILNTNKSRPSTAAAVFTTNKFKAAPVLTSKKVLETARGKNINAIVVNSGCANSVTGDLGMKDAQVMIDLVNDKIGQKNSTLVMSTGVIGQRLQMDKISTGINKIFGEEKFGSDFNSWLNVAKSICTTDTFPKLVTSRFKLPSGTEYTLTGMAKGAGMICPNMATLLGFIVTDLPIESKALQKMLTFATTRSFNCISVDGDMSTNDTICMLANGAIDTKEINEDSKDFEQVKLQVTEFAQRLAQLVVRDGEGSTKFVTVNVKNALHFEDAKIIAESISNSMLVKTALYGQDANWGRILCAIGYAKLNDLKSLDVNKINVSFIATDNSEPRELKLVANGVPQLEIDETRASEILALNDLEVSVDLGTGDQAAQFWTCDLSHEYVTINGDYRS,CC(O)=N[C@@H](CCC(=O)O)C(=O)O,CC(O)=N[C@@H](CCC(=O)O)C(=O)O,CC(O)=N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.2329961103921538,,s_c25779cf9234d643469dc8ec,test
catpreddb_km_km_d3d87a4aa51d1a,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C,CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C,CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_d3e36cf77e9f92,catpred_iteration1_km,km,A0A832W5V7,A0A832W5V7,MEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_65b17f02c00084bc7891919d,test
catpreddb_km_km_d3f24b5328fafd,catpred_iteration1_km,km,B0VH76,B0VH76,MAEKLKLARSMSLFEEAKQLVPGGVAGIRRPYNFVPGEYPIFFDHGKGGRVVDVDGNEYIDFLCAYGPIIIGYREDEIDDAVINQIKNKGFCFSLTQEMQNTLVKKLRELIPCCEMAALVKTGSDATTIAIRVARGYTGKTKIARYGYHGWHDWCVEVKGGIPPKLYEDIYEFHYNDLDSLKAILEANKDDMAGIIITPIGHPNGAEVQMPKPGYLEAVRELANQYHCLLIFDEIRSGFRCSLGGAQKLFGVTPDLSTFGKAMANGYAIAALVGKEEYMQVLADKVFLSSTFFPNSDGIVAAIKTIEILERDRILDVVAAKGRKFGAEVEKVVEESGVPVNFTGAPWMPYITFKKDEAGLYKKLRTEYYTQLIRHNVFMQPYHHGYICYRHTDEDLAYTVEAIRESLAEVKKML,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.3031960574204888,,s_cb5f03968ec2a3ea41ee648c,test
catpreddb_km_km_d40bacbb320aab,catpred_iteration1_km,km,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.8507808873446201,,s_10643db1da4d21bc18567292,test
catpreddb_km_km_d416d32efab573,catpred_iteration1_km,km,Q16831,Q16831,MAATGANAEKAESHNDCPVRLLNPNIAKMKEDILYHFNLTTSRHNFPALFGDVKFVCVGGSPSRMKAFIRCVGAELGLDCPGRDYPNICAGTDRYAMYKVGPVLSVSHGMGIPSISIMLHELIKLLYYARCSNVTIIRIGTSGGIGLEPGTVVITEQAVDTCFKAEFEQIVLGKRVIRKTDLNKKLVQELLLCSAELSEFTTVVGNTMCTLDFYEGQGRLDGALCSYTEKDKQAYLEAAYAAGVRNIEMESSVFAAMCSACGLQAAVVCVTLLNRLEGDQISSPRNVLSEYQQRPQRLVSYFIKKKLSKA,O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1,O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1,O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.0819696632151198,,s_7ed3e796e2b5fad5a0eb70ce,test
catpreddb_km_km_d41a60f1a08eb4,catpred_iteration1_km,km,Q8YPB4,Q8YPB4,MQSYKYQQKKNLEKSYTREDWQGGYKSLRQEFDYWIDDVEGEIPTELQGTLFRNGPGLLDIKGQSIHHPFDGDGMISRISFVNGRAHYRNSFVKTEGYLAEKNAGKILHRGVFGTQKPGGWLANIFDFKLKNIANTNVIYWGEKLLALWEAAEPHRLDPKTLDTLGKEYFHGVLSAGEAFGAHPRFDPSCEQDNGAPCLVNFSIKPGLSTTITIFELNVAGEVVRKHAHHVPGFCFIHDFVITPNHCIFFQNPVSFNPIPFALGLRGAGECIQVQPNQPTRIIVIPRFPQSGQKEIKTLEVGSGFIFHHVNAFVVGEEILVDSLCYDSLPEVEPESDFRQVDFEAIAPGQLWRFYLNLKDGTVQKKLIESRCCEFPAIHPRNVGRSYRYLYMSAAHAATGNAPLQALLKIDLESGEKQIWSVAPRGFTGEPIFVPRPGSEKEDDGWVLALVYDAAHHRSDVVILDASDFTKGAIARLHLQHHVPYGLHGNFTPQVFV,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)CCC1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)CCC1>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_6f17ac7c709e3470716b7e32,test
catpreddb_km_km_d41d7b45b13a6e,catpred_iteration1_km,km,Q8X212,Q8X212,MMTRTAILTALAALLPTATWAQDNQTYANYSSQSQPDLFPRTVATIDLSFPDCENGPLSTNLVCNTSADPWARAEALVSLFTLEELINNTQNTAPGVPRLGLPQYQVWNEALHGLDRANFSDSGEYSWATSFPMPILSMASFNRTLINQIASIIATQARAFNNAGRYGLDSYAPNINGFRSPLWGRGQETPGEDAFFLSSAYAYEYITGLQGGVDPEHVKIVATAKHFAGYDLENWGNVSRLGSNAIITQQDLSEYYTPQFLASARYAKTRSLMCSYNAVNGVPSCSNSFFLQTLLRESFNFVDDGYVSSDCDAVYNVFNPHGYALNQSGAAADSLLAGTDIDCGQTMPWHLNESFYERYVSRGDIEKSLTRLYANLVRLGYFDGNNSVYRNLNWNDVVTTDAWNISYEAAVEGITLLKNDGTLPLSKKVRSIALIGPWANATVQMQGNYYGTPPYLISPLEAAKASGFTVNYAFGTNISTDSTQWFAEAISAAKKSDVIIYAGGIDNTIEAEGQDRTDLKWPGNQLDLIEQLSKVGKPLVVLQMGGGQVDSSSLKANKNVNALVWGGYPGQSGGAALFDILTGKRAPAGRLVSTQYPAEYATQFPANDMNLRPNGSNPGQTYIWYTGTPVYEFGHGLFYTEFQESAAAGTNKTSTLDILDLVPTPHPGYEYIELVPFLNVTVDVKNVGHTPSPYTGLLFANTTAGPKPYPNKWLVGFDRLATIHPAKTAQVTFPVPLGAIARADENGNKVIFPGEYELALNNERSVVVSFSLTGNAATLENWPVWEQAVPGVLQQ,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O)[C@H](O)[C@H]2O)OC[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_5323cffaa1aba4f19a29cfc8,test
catpreddb_km_km_d42e021362142e,catpred_iteration1_km,km,Q9ZDA0,Q9ZDA0,MNKFKNIAVYGGGSFGTSLASLVARNCNNVTLFLRDEIILKEILYKKTNAQYLGDIELPTNLQATTNLSVIKDFELIIIAVPSYAFDDSIKLLKTYGISKEHTILVATKGLADNPTELFSDRLNTLLPDNPIGFLSGPNLAKELAKNLPASASIASLDIDIANKIAYNFSSKTFSTNTTIDIVTLQIAGALKNIFAIKSGIDLAREQGANSRATLIVGALKEITTLSKVLGGMQKNSDILLEAGVLGDLVLTCYSLGSRNTKFGYEFEISRDKKKFLCEYKELVEGREALKLVLDLIKKYNLHMPIVAEVASLILI,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O,O=C(CO)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2773660774661877,,s_e0c728651567fcb5a7f0f0ec,test
catpreddb_km_km_d4354e3340d175,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CCC[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O,CCC[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O,CCC[C@H](N=C(O)[C@H](C)N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)Cc1cc(=O)oc2cc(OC)ccc12)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCSC)C(O)=N[C@@H](CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=N)O>>,public_strict_iteration1_fulltrue_msa,,0.8864907251724818,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_d435d6075a70f8,catpred_iteration1_km,km,Q73PV9,Q73PV9,MRPLVIILMGSSSDMGHAEKIASELKTFGIEYAIRIGSAHKTAEHVVSMLKEYEALDRPKLYITIAGRSNALSGFVDGFVKGATIACPPPSDSFAGADIYSSLRMPSGISPALVLEPKNAALLAARIFSLYDKEIADSVKSYMESNAQKIIEDDSKLKR,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,1.1139433523068367,,s_f1a464098ccf15d171c62caa,test
catpreddb_km_km_d44d1dc2fb6e57,catpred_iteration1_km,km,B9WJQ5,B9WJQ5,MTSHTHPVKLSRTFKTKAGDELSIGTGTGTKWKKDSKLDEINQELVDQILLAIKLGYRHIDTAEVYNTQAEVGEAIKKSGIPREQLWITTKYNPGWGDIKASSASPQESIDKALKQLGTDYIDLYLIHQPFFTEENTHGYSLIDTWKILIEAKKQGKIREIGVSNFAIKHLEALKKVSEPEYYPVVNQIESHPFLQDQSKNITKYSQENGILVEAFSPLTPASRLDANPLTDYLEELVKKYNKTPGQLLLRYTLQRGILPITTSAKESRIKESLDVFDFELTKEEFDKITEIGNANPHRVFFHEAFKDL,CC1(C)COC(=O)C1=O,CC1(C)COC(=O)C1=O,CC1(C)COC(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-0.2276251849413747,,s_9add041f803ed77948aa4a5a,test
catpreddb_km_km_d46cec45f82e83,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.7240627491890842,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_d473db1d5c13bd,catpred_iteration1_km,km,Q8GCQ3,Q8GCQ3,MSEEPTVSPPSPEQPAAQPAKPARPAARRAPRKPATRRPRVASPAQKAREEIQAISQKPVALQVASAPHGSSEDSTSASLPANYPYHTRMRRNEYEKAKHDLQIELLKVQSWVKETGQRVVVLFEGRDAAGKGGTIKRFMEHLNPRGARIVALEKPSSQEQGQWYFQRYIQHLPTAGEMVFFDRSWYNRAGVERVMGFCSPLQYLEFMRQAPELERMLTNSGILLFKYWFSVSREEQLRRFISRRDDPLKHWKLSPIDIKSLDKWDDYTAAKQAMFFHTDTADAPWTVIKSDDKKRARLNCIRHFLHSLDYPDKDRRIAHEPDPLLVGPASRVIEEDEKVYAEAAAAPGHANLDIPA,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.3451849162870506,,s_633d047b5d80cf3aedb87cbc,test
catpreddb_km_km_d494b1761d4cdb,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2COP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.7958800173440754,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_d4a150fc159a68,catpred_iteration1_km,km,Q3S559,Q3S559,MSRTQHAITVLGAGKIGFAIALLLQRTGDYAVCVADQDPSRLDAVAALGCQTAQIDNDAALEAAIAGRHAVLNALPFHRAVAVAGLCARLGVHYFDLTEDVASTHAIHALGRDARAVLMPQCGLAPGFIGIVGNDLARRFDTLLDLRMRVGGLPRYPTNALRYNLYLEHRGADQRVLQSMRGAVDGELVKVPPMEGYETFTLDGVEYEAFNTSGGLGTLPQTLLGKARNVDYKSVRYPGHCAIMKLLLNDLRLRERRELLQDILESAIPATGQDVIVILATASGYRGGRLLQEAYSAHIHGDTVDGHALSAIQLSTAAGICTALDLVVEGALPQRGFVGQESIPLDALLANRHGRIYAGQRLDALLAA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]([n+]3cccc(C(=O)O)c3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_53eefbb9d536a41e42f82fd0,test
catpreddb_km_km_d4aa7e7b9e4ae1,catpred_iteration1_km,km,C0LA90,C0LA90,MTVTDIILIHGALNRGACYDAVVPLLEARGYRVHAPDLTGHTPGDGGHLSVVDMEHYTRPVADILARAEGQSILLGHSLGGASISWLAQHHPDKVAGLIYLTAVLTAPGITPETFVLPGEPNRGTPHALDLIQPVDEGRGLQADFSRLERLREVFMGDYPGEGMPPAEQFIQTQSTVPFGTPNPMEGRALEIPRLYIEALDDVVIPIAVQRQMQKEFPGPVAVVSLPASHAPYYSMPERLAEAIADFADAPAEYRQTATKAGPDRPAGADGGRADRADLP,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.9065783148377652,,s_7f8ecdb53456f92943ac634b,test
catpreddb_km_km_d4d5c694aeeb44,catpred_iteration1_km,km,Q9HAN9,Q9HAN9,MENSEKTEVVLLACGSFNPITNMHLRLFELAKDYMNGTGRYTVVKGIISPVGDAYKKKGLIPAYHRVIMAELATKNSKWVEVDTWESLQKEWKETLKVLRHHQEKLEASDCDHQQNSPTLERPGRKRKWTETQDSSQKKSLEPKTKAVPKVKLLCGADLLESFAVPNLWKSEDITQIVANYGLICVTRAGNDAQKFIYESDVLWKHRSNIHVVNEWIANDISSTKIRRALRRGQSIRYLVPDLVQEYIEKHNLYSSESEDRNAGVILAPLQRNTAEAKT,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2291479883578558,,s_b4fc93511b787a1abe84ae24,test
catpreddb_km_km_d4dd44884dd8da,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(=O)CC(C)=O,CC(=O)CC(C)=O,CC(=O)CC(C)=O>>,public_strict_iteration1_fulltrue_msa,,0.7151673578484579,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_d4e11a4cd20bbb,catpred_iteration1_km,km,Q9SWR3,Q9SWR3,MAAVTGLYGSIDEFLNHCSQSGDSAYSALRSLLERLEKPDTRTEARIFLAHLQKKLDNDGASQRCLETYHFQIQDIYLDRNEGTGYQNRKKFTMMVIPSIFMPEDWSFTFYEGINRHPDSIFKDKTVAELGCGNGWISIAIAEKWLPLKVYGLDINPRAVKISWINLYLNAFDEDGQPVYDSESKTLLDRVEFYESDLLSYCRDNHIELERIVGCIPQILNPNPDAMSKLVTENASEEFLHSLSNYCALQGFVEDQFGLGLIARAVEEGIDVIKPMGIMIFNMGGRPGQGVCKRLFERRGLSVNKLWQTKILQASDTDISALVEIEKNNPHRFEFFMGLVGDRPICARTAWAFGKACGRISHALSVYSCQLRHPNEVKKIFEFLKNGFHDISNSLDLSFEDDSVADEKIPFLAYLAGVLKDGSRFPYEPPTGNKRFRDLIASFMKTYHHVPLSTDNVAIFPSRATAIENSLRLFTPRLAIVEEHLTCNLPRQWLTSLEIEARTPLPSHAAIICGLLRNRVYTDLEVAFVISEEQTIFDALTRTVELLQGNTALISQYYYGCLFHELLSFQIPDRRQTAEREAENVEASDIDMIGFSSSAISVLSQSELSVRVTEKSSLLHMDVDQIFLPTPTPVKAAIFESFARQNVTETECDVTPILRQFILNTWNFSVEHSAEFIYADFPLALFNKLVLCCIEEGGSLCMPAGSNGNYAAAAKFLNANIMSIPTEAEVGFKLTAKQLSSVLETVHKPWVYISGPTINPTGLLYSNEEMKSLLTVCARYGARTIIDTSFSGIKFNSQDWDGWNLDASLAGLTGNPSFSVCLLGGLFFKIPTGGLSYGFLVLKSGFLADSFRSSFSGLNKPHNTVRYTAKKLLELGEQKGNLTGAAQGQEKLLATRLKRLKETLENCGWEVIEARGGVSVIAKPSAYLGKNIKLEKDGSTWVTKLDGTNIREAMLRATGLCINGPSWTGIPDYCRFTFALEDGDFDRALDCIVKFNQLVK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_be7406691cb4f4d2e1066167,test
catpreddb_km_km_d4eb18feb4d839,catpred_iteration1_km,km,Q68SL7,Q68SL7,MSVVSAVSFMRPLHMRSPGPRGRRHTLPASEFRSLSPEDAISVFEIEREAFISVSGECPLHLDEVRHFLTLCPELSLGWFEEGRLVAFIIGSLWDQERLTTDALTLHKPHGTTVHIHVLAVHRTFRQQGKGSILMWRYLQYLRCLPYIRRAVLMCEDFLVPFYQKSGFKVQGPSDITVGPLTFIEMLYPVRGHAFMRRNSGC,NCCc1ccc(O)cc1,NCCc1ccc(O)cc1,NCCc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.0969100130080564,,s_ecc820d6303eca4ddb9ee17a,test
catpreddb_km_km_d4fb18436282b0,catpred_iteration1_km,km,A3MV85,A3MV85,MDKINSRALYTPMHILTFQNALDIAEHFEGLGKVVQVEERTFPDGEVLVRVPEAGPVVVLVARLYPGVNDSVFKLFLALDALNDMGVGRVVVVAPYLPYARQDRRFRPGEPISAKALLKTLANLSVGALVAVDLHKPYIADYVPRVAVRNVYPAEEFAERLKGVDAVVSPDFGSLHRAEAVARILGVPYTYFEKYRDRETGAITLMPRRDLELRGARVAIVDDILSTGGTLVDACKAARTLGASEVYAAVTHCQLLKDAREKAKSCVDRLICTDSILNEFAEVKVGPLLRREVEKLL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0969100130080565,,s_283d14df641eda865e178887,test
catpreddb_km_km_d50ba4861ca9ff,catpred_iteration1_km,km,Q04212,Q04212,MVNEKVNPFDLASVSPLVLGGAILNQQYTDEPESIPLEDIIKYAFSHGINAIDTSPYYGPSEVLYGRALSNLRNEFPRDTYFICTKVGRIGAEEFNYSRDFVRFSVHRSCERLHTTYLDLVYLHDVEFVKFPDILEALKELRTLKNKGVIKNFGISGYPIDFITWLAEYCSTEESDIGSLDAVLSYCNLNLQNNKLLNFRERLLRNAKLKMVCNASILSMSLLRSQETRQFHPCSHELRECASQAAKYCQEQNVDLADLATRYAISEWVGKGPVVLGVSSMEELKLALDNYEIVKSNGNRLSSKDGQLVEYIQKNIFKEHFNEEWSSGIPHPEMI,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.6127838567197355,,s_1b480b479e86e0133ff3f910,test
catpreddb_km_km_d56027d445b3a2,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,C/C=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C(\C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_d561bc58530b79,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-3.397940008672037,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_d5630652b64e25,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.2218487496163566,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_d571faf65949e0,catpred_iteration1_km,km,A0A6A5Q0M3,A0A6A5Q0M3,MGSDRSCVLSVFQTILKLVIFVAIFGAAISSRLFAVIKFESIIHEFDPWFNYRATKYLVNNSFYKFLNWFDDRTWYPLGRVTGGTLYPGLMTTSAFIWHALRNWLGLPIDIRNVCVLFAPLFSGVTAWATYEFTKEIKDASAGLLAAGFIAIVPGYISRSVAGSYDNEAIAITLLMVTFMFWIKAQKTGSIMHATCAALFYFYMVSAWGGYVFITNLIPLHVFLLILMGRYSSKLYSAYTTWYAIGTVASMQIPFVGFLPIRSNDHMAALGVFGLIQIVAFGDFVKGQISTAKFKVIMMVSLFLILVLGVVGLSALTYMGLIAPWTGRFYSLWDTNYAKIHIPIIASVSEHQPVSWPAFFFDTHFLIWLFPAGVFLLFLDLKDEHVFVIAYSVLCSYFAGVMVRLMLTLTPVICVSAAVALSKIFDIYLDFKTSDRKYAIKPAALLAKLIVSGSFIFYLYLFVFHSTWVTRTAYSSPSVVLPSQTPDGKLALIDDFREAYYWLRMNSDEDSKVAAWWDYGYQIGGMADRTTLVDNNTWNNTHIAIVGKAMASPEEKSYEILKEHDVDYVLVIFGGLIGFGGDDINKFLWMIRISEGIWPEEIKERDFYTAEGEYRVDARASETMRNSLLYKMSYKDFPQLFNGGQATDRVRQQMITPLDVPPLDYFDEVFTSENWMVRIYQLKKDDAQGRTLRDVGELTRSSTKTRRSIKRPELGLRV,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_942b39c1db7ad79494e440b9,test
catpreddb_km_km_d584b3d187c787,catpred_iteration1_km,km,Q86M89,Q86M89,MVVEPLTLLALAAVATAKNINVEDAIDLEDITAYGYLAKIGKPLADEIRKAEEAEGASRIVGGQASSLGQFPYQAGLLADFSAGQGVCGGSLVRANRVLTAAHCWFDGQNQAWRFTVVLGSIRLFSGGTRVQTSNVVMHGSWNPSNIRNDVAMIRLNSNVGLSNTIALIALPSGSQLNENFAGENAVASGFGRTSDGAGGGITTNQFLSHVTLPVITNAVCRSSFPLIVQDSNICTSGAGGRSTCQGDSGGPLVVTRSGRPLLIGVTSFGSARGCQVGSPAAFARVTSFMSWINGQL,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.6989700043360187,,s_da537361b6d2652c6797bef1,test
catpreddb_km_km_d58bebd4741c67,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC(C)C[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@@H]1CCC(O)=N1)C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_d5a4777aa38f31,catpred_iteration1_km,km,P56656,P56656,MDLVTFLVLTLSSLILLSLWRQSCGRGSLPPGPTPFPIIGNFLQIDIKNVSQSLTNFSKAYGPVFTLYLGSRPTVVLHGYEAVKEALIDHGEEFSDRGSIPMVEKINNGLGIVFSNGNRWKEIRRFTLTTLRNLGMGKRNIEDRVQEEAQCLVEELRKTKGSPCDPTFILSCAPCNVICSIIFQDRFDYKDKDFLMLMEKLNENVKILSSPWLQVCNNFPLLIDYCPGSHHKVLKNVKYIRSYLLEKIKEHQESLDVTNPRDFIDYYLIKQKQANHIQQAEFSLENLACTINNLFAAGTETTSTTLRYALLLLMKYPDVTAKVQEEIDHVIGRHRSPCMQDRNHMPYTDAMIHEVQRFINLVPNNIPRAVTCDIKFRNYLIPKGTTVVTSLTSVLHDSKEFPNPELFDPGHFLDANGNFKKSDHFMPFSAGKRVCAGEGLARMELFLFLTTILQNFKLKSLVHPKDIDMIPFVNGLIALPPHYQVCIIPR,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.090288893277476,,s_b5fab524f31a5906cfb499b0,test
catpreddb_km_km_d5af00d0775317,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,O=C1CCCCO1,O=C1CCCCO1,O=C1CCCCO1>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_d5c3f5576ac51a,catpred_iteration1_km,km,Q9SWR3,Q9SWR3,MAAVTGLYGSIDEFLNHCSQSGDSAYSALRSLLERLEKPDTRTEARIFLAHLQKKLDNDGASQRCLETYHFQIQDIYLDRNEGTGYQNRKKFTMMVIPSIFMPEDWSFTFYEGINRHPDSIFKDKTVAELGCGNGWISIAIAEKWLPLKVYGLDINPRAVKISWINLYLNAFDEDGQPVYDSESKTLLDRVEFYESDLLSYCRDNHIELERIVGCIPQILNPNPDAMSKLVTENASEEFLHSLSNYCALQGFVEDQFGLGLIARAVEEGIDVIKPMGIMIFNMGGRPGQGVCKRLFERRGLSVNKLWQTKILQASDTDISALVEIEKNNPHRFEFFMGLVGDRPICARTAWAFGKACGRISHALSVYSCQLRHPNEVKKIFEFLKNGFHDISNSLDLSFEDDSVADEKIPFLAYLAGVLKDGSRFPYEPPTGNKRFRDLIASFMKTYHHVPLSTDNVAIFPSRATAIENSLRLFTPRLAIVEEHLTCNLPRQWLTSLEIEARTPLPSHAAIICGLLRNRVYTDLEVAFVISEEQTIFDALTRTVELLQGNTALISQYYYGCLFHELLSFQIPDRRQTAEREAENVEASDIDMIGFSSSAISVLSQSELSVRVTEKSSLLHMDVDQIFLPTPTPVKAAIFESFARQNVTETECDVTPILRQFILNTWNFSVEHSAEFIYADFPLALFNKLVLCCIEEGGSLCMPAGSNGNYAAAAKFLNANIMSIPTEAEVGFKLTAKQLSSVLETVHKPWVYISGPTINPTGLLYSNEEMKSLLTVCARYGARTIIDTSFSGIKFNSQDWDGWNLDASLAGLTGNPSFSVCLLGGLFFKIPTGGLSYGFLVLKSGFLADSFRSSFSGLNKPHNTVRYTAKKLLELGEQKGNLTGAAQGQEKLLATRLKRLKETLENCGWEVIEARGGVSVIAKPSAYLGKNIKLEKDGSTWVTKLDGTNIREAMLRATGLCINGPSWTGIPDYCRFTFALEDGDFDRALDCIVKFNQLVK,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_be7406691cb4f4d2e1066167,test
catpreddb_km_km_d5d4dc6a2778ee,catpred_iteration1_km,km,W8R465,W8R465,MRSLTWAACLALAGTAFAHAHHDHEEVPEHVREELLRKWDQEFTFSGIASFAHLKPVKCLIEPDERYDIAVIGAPFDTAVSYRPGARFGPRSIRAASARQMAGTSYNTRAGINPYASWATVKDCGDIPITPFDNGVAERQMYEAFLELGSRPALTSADSKYGTKGISAGKSKLVTLGGDHSVALPALRALYQIYQKPITVLHFDAHLDTWNPVRYSAYWTSEQAHFNHGSFFHKASREGLICNSTSAHAGLRTRLTGVDDSDYTNPGPEQGFMRIHADDIDDLGPMGIVNRIIERIGLDSDQPVYLSVDIDVLDPATAPGTGTPEPGGWTTREFIRILRGIEKLNIVGADIVEVSPSYDNKGETTALAAAQVAFEIITSMVKAGAGEELGGWYGRKETPVEETVVVEEGEDPVEKKEAKDEL,N=C(N)NCCC(=O)[O-],N=C(N)NCCC(=O)[O-],N=C(N)NCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.7299742856995557,,s_802fa9fafd8ecf30e0cac2da,test
catpreddb_km_km_d5de985b09b7d3,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C,CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-3.6989700043360174,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_d610e3116af999,catpred_iteration1_km,km,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)OCc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4722112662151643,,s_2caefa44f3749bcdb7479c26,test
catpreddb_km_km_d6648b0d19dd0f,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,C=COC(=O)CCC,C=COC(=O)CCC,C=COC(=O)CCC>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_d66cfb7a8ea185,catpred_iteration1_km,km,A0A386IRJ1,A0A386IRJ1,MQSIKRTLLLLGAILPAVLGAPVQETRRAAEKLPGKYIVTFKSGIDEAKIQEHTTWATNIHQRSLERRGATGGDLPVGIERNYKINKFAAYAGSFDDATIEEIRKNEDVAYVEEDQIYYLDGLTTQKNAPWGLGSISHKGQQSTDYIYDTSAGEGTYAYVVDSGVNVDHEEFEGRASKAYNAAGGQHEDSIGHGTHVSGTIAGKTYGIAKKASILSVKVFQGESSSTSIILDGFNWAANDIVSKKRTSKAAINMSLGGGYSKAFNDAVENAFEQGVLSVVAAGNENSDAGQTSPASAPDALTVAAIQKSNSRASFSNFGTVVDIFAPGQDILSAWIGSSSATNTISGTSMATPHIVGLSLYLAALENLDGPAAVTKRIKELATKDVVKDVKGSPNLLAYNGNA,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(C)O,COC(=O)[C@H](C)N=C(O)[C@H](C)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,1.6483600109809315,,s_2d84b510953f7377dca5997d,test
catpreddb_km_km_d67e8aab44807c,catpred_iteration1_km,km,P0A8Y8,P0A8Y8,MIWKRHLTLDELNATSDNTMVAHLGIVYTRLGDDVLEAEMPVDTRTHQPFGLLHGGASAALAETLGSMAGFMMTRDGQCVVGTELNATHHRPVSEGKVRGVCQPLHLGRQNQSWEIVVFDEQGRRCCTCRLGTAVLG,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_b71864dc379a9cd1a31c4976,test
catpreddb_km_km_d69ae986734847,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,Cc1ccc(C(=O)NCC(=O)O)cc1,Cc1ccc(C(=O)NCC(=O)O)cc1,Cc1ccc(C(=O)NCC(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.255272505103306,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_d6ac707fce35bd,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_d6b14e1cd6b747,catpred_iteration1_km,km,G7LSK3,G7LSK3,MSELYQAKSETRSTITSSLKGIQPYKPTKATIWSRADALKVNEYDPTTTQPLVSGDFPVMSDEVFIWDTMPLRDIDGNIASVNGWSVIFTLTADRNPTAPEYQDEQGNYDITLDWNDRHGRAKMYFWYSRTGKDWIIGGRVMAEGVSPTAREWAGTPVLLNERGEIDLYYTAVTPGATVVKVRGRVVTTENGVEMVGFKKVKSLFEADGKMYQTESQNPYWAFRDPCPFRDPKSGKLYMLFEGNVAGERGSHVVGPDELGDVPPGYEDAGNSHFQTGCIGIAVCRDEDGDDWELLPPLITAVGVNDQTERPHFVFQDGKYYLFTISHKFTYGDGLTGPDGVYGFVSENLFGPYVPLNGSGLVLGNPPSQPYQTYSHYVMPNGLVTSFIDSVPTGEDSYRIGGTEAPTVLIKLKGAQTFVLEEFDYGYIPPMIDVKVE,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,2.484299839346786,,s_215b9798bdd0e647477e24f3,test
catpreddb_km_km_d6cb28d29f8be8,catpred_iteration1_km,km,G5DGA8,G5DGA8,MMVKIQDSVYLVTGGGSGLGEATAKLLLTEGARVTIFSRNEYKNEFPHDQVLSVKGDVRSESDVKRALEATIQKFGKLDGVMHCAGVFQNGDELFNMDTQQPGDYTVLTDIVTTNLLGTFNVNRLAIPYFLTNQPDEEGQKGIIINCSSTSGHSPMSSAVAYSTSKAAIIGLSYALAKQLSTLGIRVMDIAPALCDTPMFRRAVGFNQDIANFRNLFPARLIQPIEYANAVKHIIETPMLNGSSYQLDGALRP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-5.096910013008056,,s_be1fd4afe3a92494c2d08c64,test
catpreddb_km_km_d6ce128b640311,catpred_iteration1_km,km,A0A1J1EVC3,A0A1J1EVC3,MTVEPFRNEPIETFQTEEARRTMREALRRVREEFGRHYPLYIGGEWVDTKERMVSLNPSAPSEVVGTTAKAGKAEAEAALEAAWKAFKTWKDWPQEDRSRLLLKAAALMRRRKRELEATLVYEVGKNWVEASADVAEAIDFMEYYARAALRYRYPAVEVVPYPGEDNESFYVPLGAGVVIAPWNFPVAIFTGMIMGPVAVGNTVIAKPAEDAVVVGAKVFEIFHEAGFPPGVVNFLPGVGEEVGAYLVEHPRTRFINFTGSLEVGLKIYEAAGRLAPGQTWFKRAYVETGGKDAIIVDETADFDLAAEGVVVSAYGFQGQKCSAASRLILTQGAYEPVLERVLKRAERLSVGPAEENPDLGPVVSAEQERKVLSYIEIGKNEGQLVLGGKRLEGEGYFIAPTVFTEVPPKARIAQEEIFGPVLSVIRVKDFAEALEVANDTPYGLTGGVYSRKREHLEWARREFHVGNLYFNRKITGALVGVQPFGGFKLSGTNAKTGALDYLRLFLEMKAVAERF,O=C(O)C1CCC=N1,O=C(O)C1CCC=N1,O=C(O)C1CCC=N1>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_211c7d645abd0f9e1bd6a568,test
catpreddb_km_km_d6e31da84d4740,catpred_iteration1_km,km,B9X0T8,B9X0T8,MTKILLMLALALGAAGLRWPAAVPQRRATSGRAAGARLERAVGPVAVAPVEAPSVSRSSESAVDAMRGAAEAPSPFKKLMAANRAEIAVRIMRAATELNVATVAIYGYEDRFSQHRWGADQSFQLEKKDPADAAVRAYLDIEQIVALAKREGVDAIHPGYGFLSESPEFAQACSDAGITFVGPTVANLKTFSDKTTARVAAIAADVPVVPGTDEPVTTEAGARAFVEEYGLPVIIKAAMGGGGKGMRLVRDMEELGASFASASTEAEAAFGDGSVFLERYIESPRHIEVQIIGDGKGGAVHLCERDCSVQRRYQKVVEIAPAWSLDPALRNKLHEDSLRLMRSAKYLNAGTVEFLVDGEGRHYFIEVNPRIQVEHTVTEEVTGIDLVQAQMRIASGASFEEVGLVQDQIQARGIAVQCRVTTENPERNFAPDTGTLSVYRHSAGYGMRQDGIGYSGMTVTPYYDSLLVKYTARGSNWGEVIRRMTRALQEARIRGVKTNITGDITDPSKGKYTLDYYLEYARQLAQLGVHSIAIKDMAGLLKPRAAALLVGAIRKELPDMLIHVHSHDTAGNSLASMLSAAEAGADVVDVAIDSMSGITSQPSLGALAAATAGSELDIGVRPQDLEPLNSYWEQVRSLYAPFESGQLSGSSDVYRNEIPGGQYTNLLFQASQLGLGDQWVEVKRKYAQANLLLGDIPKVTPSSKVVGDLAQLMVAQKLEPDQLIEQAESLAFPDSVVSYFQGGIGLPPGGFPEPLRSKVLKGRSLEDGRAAYDGRPGATMKPYDFDKELGLLQASYPSNKGERDALSYALYPQVFRDWQEHRAVYGEVEALPTEAFLHPMAVGDEVEFATEPGRSWIVKLVSVPKPDENGQTQVIMELNGERWFVPVTDNSVQSATAREKAGGSPGSVGSPMPGVVVDVKVKPGDTIREGEPLVVLSAMKMETAIPAPASGVVERLLVSAGDKVEGDDLLAQIGEGAPKEEGGSSAKGGLFSSLFKGSGE,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0555173278498313,,s_7ac5240f7b1968c266bede9a,test
catpreddb_km_km_d6e75f8c74bedd,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-3.2596373105057563,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_d6e95435c083e7,catpred_iteration1_km,km,A0A6A5PPK7,A0A6A5PPK7,MRISSTLLQRSKQLIDKYALYVPKTGSFPKGFEVGYTASGVKKNGSLDLGVILNTNKSRPSTAAAVFTTNKFKAAPVLTSKKVLETARGKNINAIVVNSGCANSVTGDLGMKDAQVMIDLVNDKIGQKNSTLVMSTGVIGQRLQMDKISTGINKIFGEEKFGSDFNSWLNVAKSICTTDTFPKLVTSRFKLPSGTEYTLTGMAKGAGMICPNMATLLGFIVTDLPIESKALQKMLTFATTRSFNCISVDGDMSTNDTICMLANGAIDTKEINEDSKDFEQVKLQVTEFAQRLAQLVVRDGEGSTKFVTVNVKNALHFEDAKIIAESISNSMLVKTALYGQDANWGRILCAIGYAKLNDLKSLDVNKINVSFIATDNSEPRELKLVANGVPQLEIDETRASEILALNDLEVSVDLGTGDQAAQFWTCDLSHEYVTINGDYRS,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_c25779cf9234d643469dc8ec,test
catpreddb_km_km_d72454d1861ab5,catpred_iteration1_km,km,O05877,O05877,MDIPSVDVSTATNDGASSRAKGHRSAAPGRRKISDAVYQAELFRLQTEFVKLQEWARHSGARLVVIFEGRDGAGKGGAIKRITEYLNPRVARIAALPAPTDRERGQWYYQRYIAHLPAKGEIVLFDRSWYNRAGVEKVMGFCTPQEYVLFLRQTPIFEQMLIDDGILLRKYWFSVSDAEQLRRFKARRNDPVRQWKLSPMDLESVYRWEDYSRAKDEMMVHTDTPVSPWYVVESDIKKHARLNMMAHLLSTIDYADVEKPKVKLPPRPLVSGNYRRPPRELSTYVDDYVATLIAR,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_eeacd29ea83c1cabf0711ab1,test
catpreddb_km_km_d72a70920965da,catpred_iteration1_km,km,P9WK13,P9WK13,MSASPLKVAVTGAAGQIGYSLLFRLASGSLLGPDRPIELRLLEIEPALQALEGVVMELDDCAFPLLSGVEIGSDPQKIFDGVSLALLVGARPRGAGMERSDLLEANGAIFTAQGKALNAVAADDVRVGVTGNPANTNALIAMTNAPDIPRERFSALTRLDHNRAISQLAAKTGAAVTDIKKMTIWGNHSATQYPDLFHAEVAGKNAAEVVNDQAWIEDEFIPTVAKRGAAIIDARGASSAASAASATIDAARDWLLGTPADDWVSMAVVSDGSYGVPEGLISSFPVTTKGGNWTIVSGLEIDEFSRGRIDKSTAELADERSAVTELGLI,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O,O=C(O)C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0170333392987803,,s_c636a6959bff03450d3c3522,test
catpreddb_km_km_d72cbc88cbef03,catpred_iteration1_km,km,Q52675,Q52675,MTKFSGNELRAELYRRAFLSYSVAPGALGMFGRSLLAKGARAEALANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPTPMLEGVLDSIYSPTRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEETYGPQGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQVIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHGAYPGLEALKAKGTKVIVIDPVRTKTVEFFGADHVTPKPQTDVAIMLGMAHTLVAEDLYDKDFIANYTSGFDKFLPYLMGETDSTPKTAEWASDISGVPAETIKELARLFISKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGGGFGLSYHYSGGGTPSTSGPALSGITDGGAATKGPEWLAASGASVIPVARVVDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFIVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIFAAVAERLGKGKEFTEGKDEMGWIKSFYDDAAKQGKAGGVEMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGNCGQTVLAEVEKYTGPAVTLTGFVAPKAAE,C[N+](C)(C)[O-],C[N+](C)(C)[O-],C[N+](C)(C)[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.7144426909922262,,s_40f832a68f29dbf50e94d9c3,test
catpreddb_km_km_d77e5ec2b12d7d,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_d785bc6de56940,catpred_iteration1_km,km,O59570,O59570,MNPFHDLEPGPNVPEVVYALIEIPKGSRNKYELDKETGLLKLDRVLYTPFHYPVDYGIIPRTWYEDGDPFDIMVIMREPTYPLTIIEARPIGLFKMIDSGDKDYKVLAVPVEDPYFKDWKDISDVPKAFLDEIAHFFKRYKELEGKEIIVEGWEGAEAAKREILRAIEMYKEKFGKKE,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.395792759525759,,s_8477267e1adbba3ee1d0eb20,test
catpreddb_km_km_d79799b4fa4132,catpred_iteration1_km,km,A2TEF2,A2TEF2,MIGELLLLLAAGLALYGWYFCKSFNTTRPTDPPVVHGTTPFVGHIIQFGKDPLGFMLKAKKKYGGIFTMNICGNRITVVGDVHQHSKFFTPRNEILSPREVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTVAKFQNFAPSIQHEVRKFMKANWNKDEGEINILDDCSAMIINTACQCLFGEDLRKRLDARQFAQLLAKMESCLIPAAVFLPWILKLPLPQSYRCRDARAELQDILSEIIIAREKEEAQKDTNTSDLLAGLLGAVYRDGTRMSQHEVCGMIVAAMFAGQHTSTITTTWSLLHLMDPRNKRHLAKLHQEIDEFPAQLNYDNVMEEMPFAEQCARESIRRDPPLVMLMRKVLKPVQVGKYVVPEGDIIACSPLLSHQDEEAFPNPREWNPERNMKLVDGAFCGFGAGVHKCIGEKFGLLQVKTVLATVLRDYDFELLGPLPEPNYHTMVVGPTASQCRVKYIKKKKAAA,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C,C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.9465373950745448,,s_d540cb1ef35fd300bed61dcc,test
catpreddb_km_km_d7cd6cf2dc6565,catpred_iteration1_km,km,Q9JHW2,Q9JHW2,MSTFRLALIQLQVSSIKSDNLTRACSLVREAAKQGANIVSLPECFNSPYGTTYFPDYAEKIPGESTQKLSEVAKESSIYLIGGSIPEEDAGKLYNTCSVFGPDGSLLVKHRKIHLFDIDVPGKITFQESKTLSPGDSFSTFDTPYCKVGLGICYDMRFAELAQIYAQRGCQLLVYPGAFNLTTGPAHWELLQRARAVDNQVYVATASPARDDKASYVAWGHSTVVDPWGQVLTKAGTEETILYSDIDLKKLAEIRQQIPILKQKRADLYTVESKKP,N=C([O-])CCCC(=O)O,N=C([O-])CCCC(=O)O,N=C([O-])CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1370327181754571,,s_f5df29fb7c88de0eb103dc43,test
catpreddb_km_km_d7e35791898284,catpred_iteration1_km,km,P06873,P06873,MRLSVLLSLLPLALGAPAVEQRSEAAPLIEARGEMVANKYIVKFKEGSALSALDAAMEKISGKPDHVYKNVFSGFAATLDENMVRVLRAHPDVEYIEQDAVVTINAAQTNAPWGLARISSTSPGTSTYYYDESAGQGSCVYVIDTGIEASHPEFEGRAQMVKTYYYSSRDGNGHGTHCAGTVGSRTYGVAKKTQLFGVKVLDDNGSGQYSTIIAGMDFVASDKNNRNCPKGVVASLSLGGGYSSSVNSAAARLQSSGVMVAVAAGNNNADARNYSPASEPSVCTVGASDRYDRRSSFSNYGSVLDIFGPGTSILSTWIGGSTRSISGTSMATPHVAGLAAYLMTLGKTTAASACRYIADTANKGDLSNIPFGTVNLLAYNNYQA,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C(C)O,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C(C)O,CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,0.7481880270062004,,s_f2f1eaf3dae2a981698cb280,test
catpreddb_km_km_d8372e0976cb71,catpred_iteration1_km,km,P53204,P53204,MDPTKAPDFKPPQPNEELQPPPDPTHTIPKSGPIVPYVLADYNSSIDAPFNLDIYKTLSSRKKNANSSNRMDHIPLNTSDFQPLSRDVSSEEESEGQSNGIDATLQDVTMTGNLGVLKSQIADLEEVPHTIVRQARTIEDYEFPVHRLTKKLQDPEKLPLIIVACGSFSPITYLHLRMFEMALDDINEQTRFEVVGGYFSPVSDNYQKRGLAPAYHRVRMCELACERTSSWLMVDAWESLQSSYTRTAKVLDHFNHEINIKRGGIMTVDGEKMGVKIMLLAGGDLIESMGEPHVWADSDLHHILGNYGCLIVERTGSDVRSFLLSHDIMYEHRRNILIIKQLIYNDISSTKVRLFIRRGMSVQYLLPNSVIRYIQEYNLYINQSEPVKQVLDSKE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.136677139879544,,s_7a4d4f1a05eeb9ea0a9d1ef8,test
catpreddb_km_km_d840f8f819df08,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7181559608354747,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_d8682f0e64a2c7,catpred_iteration1_km,km,O94142,O94142,MSKSNSMNSTSHETLFQQLVLGLDRMPLMDVHWLIYVAFGAWLCSYVIHVLSSSSTVKVPVVGYRSVFEPTWLLRLRFVWEGGSIIGQGYNKFKDSIFQVRKLGTDIVIIPPNYIDEVRKLSQDKTRSVEPFINDFAGQYTRGMVFLQSDLQNRVIQQRLTPKLVSLTKVMKEELDYALTKEMPDMKNDEWVEVDISSIMVRLISRISARVFLGPEHCRNQEWLTTTAEYSESLFITGFILRVVPHILRPFIAPLLPSYRTLLRNVSSGRRVIGDIIRSQQGDGNEDILSWMRDAATGEEKQIDNIAQRMLILSLASIHTTAMTMTHAMYDLCACPEYIEPLRDEVKSVVGASGWDKTALNRFHKLDSFLKESQRFNPVFLLTFNRIYHQSMTLSDGTNIPSGTRIAVPSHAMLQDSAHVPGPTPPTEFDGFRYSKIRSDSNYAQKYLFSMTDSSNMAFGYGKYACPGRFYASNEMKLTLAILLLQFEFKLPDGKGRPRNITIDSDMIPDPRARLCVRKRSLRDE,C=C1C[C@@]23CCC4C(C)(C)CCC[C@@]4(C)C2CC[C@@H]1C3,C=C1C[C@@]23CCC4C(C)(C)CCC[C@@]4(C)C2CC[C@@H]1C3,C=C1C[C@@]23CCC4C(C)(C)CCC[C@@]4(C)C2CC[C@@H]1C3>>,public_strict_iteration1_fulltrue_msa,,-2.2006594505464183,,s_b05351992c29cbbec1948195,test
catpreddb_km_km_d8719d52615116,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,O=P(O)(O)O,O=P(O)(O)O,O=P(O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2365720064370627,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_d8a07d10a2188d,catpred_iteration1_km,km,Q8GAJ0,Q8GAJ0,MGRIGILGAGLAGLAAATKLAEAGENVTVFEARNRPGGRVWSETLDTPKGSYVIERGAEFVLDGYTSMRRLLSQFGLSLVDTGMSYYVREPGDTTGITCDDIIRTGREALELASGSGLQGTAEELLAKLPDEPELVDALRARIEISTAVSASEVTARSLQHIASFEPKPSWRVAGGNQRLPDAMAAALGSAVRYGETVRAVENISDGGVLVTTDTDTSVFDTVVVALPLAVIRDSQLNLPTTEARDAALKHVLQGHAAKLHLPLETQPATSAVMSVEGRYWTWTATDESGAVAPVLNAFMGSPSAITRANLKQRPAEWVAKARALRTDLAIPQDAAALTTVWSEDQLAGGAYAAHAPGVTAAGTALLEKPVGDVFWAGEYSEPEFVGLMEGAIRSGERAAGRVMQRLETKSGNSDSERSKA,NCCCC(=O)O,NCCCC(=O)O,NCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8234742291703011,,s_e43b37a4fcd802b5650850fb,test
catpreddb_km_km_d8a7fd7d8a424d,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)C(CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_955f208818110e17c458234b,test
catpreddb_km_km_d8b2794e5e638c,catpred_iteration1_km,km,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O,O=P(O)(O)OC1OC(CO)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.0736075656597261,,s_10643db1da4d21bc18567292,test
catpreddb_km_km_d8d6cf85a39a75,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,O=[N+]([O-])c1ccc(S)cc1,O=[N+]([O-])c1ccc(S)cc1,O=[N+]([O-])c1ccc(S)cc1>>,public_strict_iteration1_fulltrue_msa,,-2.552841968657781,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_d8f0b15c60ba44,catpred_iteration1_km,km,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,1.184975190698261,,s_05faba509306d0ae6d9f3eea,test
catpreddb_km_km_d900bbc82967d4,catpred_iteration1_km,km,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1,NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_0c3e58e911f51068e88986ab,test
catpreddb_km_km_d9166466c534dc,catpred_iteration1_km,km,B9X0T8,B9X0T8,MTKILLMLALALGAAGLRWPAAVPQRRATSGRAAGARLERAVGPVAVAPVEAPSVSRSSESAVDAMRGAAEAPSPFKKLMAANRAEIAVRIMRAATELNVATVAIYGYEDRFSQHRWGADQSFQLEKKDPADAAVRAYLDIEQIVALAKREGVDAIHPGYGFLSESPEFAQACSDAGITFVGPTVANLKTFSDKTTARVAAIAADVPVVPGTDEPVTTEAGARAFVEEYGLPVIIKAAMGGGGKGMRLVRDMEELGASFASASTEAEAAFGDGSVFLERYIESPRHIEVQIIGDGKGGAVHLCERDCSVQRRYQKVVEIAPAWSLDPALRNKLHEDSLRLMRSAKYLNAGTVEFLVDGEGRHYFIEVNPRIQVEHTVTEEVTGIDLVQAQMRIASGASFEEVGLVQDQIQARGIAVQCRVTTENPERNFAPDTGTLSVYRHSAGYGMRQDGIGYSGMTVTPYYDSLLVKYTARGSNWGEVIRRMTRALQEARIRGVKTNITGDITDPSKGKYTLDYYLEYARQLAQLGVHSIAIKDMAGLLKPRAAALLVGAIRKELPDMLIHVHSHDTAGNSLASMLSAAEAGADVVDVAIDSMSGITSQPSLGALAAATAGSELDIGVRPQDLEPLNSYWEQVRSLYAPFESGQLSGSSDVYRNEIPGGQYTNLLFQASQLGLGDQWVEVKRKYAQANLLLGDIPKVTPSSKVVGDLAQLMVAQKLEPDQLIEQAESLAFPDSVVSYFQGGIGLPPGGFPEPLRSKVLKGRSLEDGRAAYDGRPGATMKPYDFDKELGLLQASYPSNKGERDALSYALYPQVFRDWQEHRAVYGEVEALPTEAFLHPMAVGDEVEFATEPGRSWIVKLVSVPKPDENGQTQVIMELNGERWFVPVTDNSVQSATAREKAGGSPGSVGSPMPGVVVDVKVKPGDTIREGEPLVVLSAMKMETAIPAPASGVVERLLVSAGDKVEGDDLLAQIGEGAPKEEGGSSAKGGLFSSLFKGSGE,O=C([O-])O,O=C([O-])O,O=C([O-])O>>,public_strict_iteration1_fulltrue_msa,,-0.3279021420642826,,s_7ac5240f7b1968c266bede9a,test
catpreddb_km_km_d91e900960d736,catpred_iteration1_km,km,O50215,O50215,MTLKKDMAVDIDSTNFRQAVALFATGIAVLSAETEEGDVHGMTVNSFTSISLDPPTVMVSLKSGRMHELLTQGGRFGVSLLGESQKVFSAFFSKRAMDDTPPPAFTIQAGLPTLQGAMAWFECEVESTVQVHDHTLFIARVSACGTPEANTPQPLLFFASRYHGNPLPLN,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c2cc1C>>,public_strict_iteration1_fulltrue_msa,,-1.9677710053865407,,s_b28907c2bd04d1cb9aa313a2,test
catpreddb_km_km_d93841a77d1a94,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccc(O)cc1Cl)C(=O)O,N[C@@H](Cc1ccc(O)cc1Cl)C(=O)O,N[C@@H](Cc1ccc(O)cc1Cl)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_d93e593598eee3,catpred_iteration1_km,km,Q9HYN9,Q9HYN9,MILGTPKADWLAEFPRLADLIALRPSEWFNPAIAPSAEALADVGLGAADVADASARLQRFAPLIARLFPETAASGGIIESDLVEVATFHDALRQHYAAELPGRLWLKRDSHLPISGSIKARGGIYEVLAHAERLALEHGLVGLDDDYSRLAEADCRAFFARHRIAVGSTGNLGLSIGIIGAALGFQASVHMSADARQWKKDKLRAHGVTVVEYASDYSVAVEQGRREAAGDPYTHFVDDENSRDLFLGYAVAAERLRGQLDAAGIRVDSEHPLFVHLPCGVGGGPGGVAFGLKLAFGDAVHCLFAEPTHSPCMFLGVYTGRHEQVSVQDFGIDNRTAADGLAVGRPSGFVGRAMQRLLDGYYTVDDDELFRLLALLERSQGIRLEPSALAGATGIARVTREPQGYRERMGLTSARLANATHLVWATGGGMVPETEMRAYLERGRSLLD,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O,N[C@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_ec27c3f76a725d725908f349,test
catpreddb_km_km_d9409a21eabea7,catpred_iteration1_km,km,Q6F9G0,Q6F9G0,MDLQQQPLFRQKALVAGQWCDADNAEKTPIFNPATQELIGYVPNMGRAETERAIEAAYASWEMWKTKTAKERSALLKKWYDLILLNLDVLAEILTTEQGKPFNEAKGEIIYAASFIEWFAEEAKRIYGDIIPSPYPDARIVVNKQPIGVVAAITPWNFPAAMITRKVAPALAAGCPCIVKPAPETPFTALALADLAIQAGIPAEIMSVVTGDAAQIGDAIFASDHVRKFTFTGSTPIGKLLLEKSAKTLKKVSLELGGNAPFIVFDDADIEAAVEGALIAKFRNAGQTCVCVNRFLVQSGVYEKFIQVFKAKIESLKIGNGLEAGSEIGPLINAQAVAKVQSHIEDALSKNGRLITGGQVHATGELFFEPTLIADANTEMMVATQETFGPLAAIFKFDTEQQAIQMANDTEFGLAAYCYTRDLGRAWRMSEQLEYGMVGINKGLISNEVAPFGGIKHSGLGREGSKYGIEDYLEIKYTLFGGL,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.9706162223147904,,s_d54286fc98adab6346fd9054,test
catpreddb_km_km_d945203d48a5da,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4685210829577448,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_d95851e2da4137,catpred_iteration1_km,km,Q5FQJ0,Q5FQJ0,MASDTIRIPGIDTPLSRVALGTWAIGGWMWGGPDDDNGVRTIHAALDEGINLIDTAPVYGFGHSEEIVGRALAEKPNKAHVATKLGLHWVGEDEKNMKVFRDSRPARIRKEVEDSLRRLRVETIDLEQIHWPDDKTPIDESARELQKLHQDGKIRALGVSNFSPEQMDIFREVAPLATIQPPLNLFERTIEKDILPYAEKHNAVVLAYGALCRGLLTGKMNRDTTFPKDDLRSNDPKFQKPNFEKYLAAMDEFEKLAEKRGKSVMAFAVRWVLDQGPVIALWGARKPGQVSGVKDVFGWSLTDEEKKAVDDILARHVPNPIDPTFMAPPARD,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.7560774399442824,,s_d714fe7295deac8c6432a0b6,test
catpreddb_km_km_d958722a189956,catpred_iteration1_km,km,Q8VCC1,Q8VCC1,MHVNGKVALVTGAAQGIGKAFAEALLLHGAKVALVDWNLEAGVKCKAALDEQFEPQKTLFVQCDVADQKQLRDTFRKVVDHFGRLDILVNNAGVNNEKNWEQTLQINLVSVISGTYLGLDYMSKQNGGEGGIIINMSSLAGLMPVAQQPVYCASKHGIIGFTRSAAMAANLMKSGVRLNVICPGFVDTPILESIEKEENMGQYIEYKDQIKAMMKFYGVLHPSTIANGLINLIEDDALNGAIMKITASKGIHFQDYDISPLLVKAPLTS,CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O,CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O,CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_d7bd7bf9dae694733b0f418d,test
catpreddb_km_km_d95d6081ba97bb,catpred_iteration1_km,km,O24035,O24035,MAPMVISDKDEMRKWSRSMRSQGKLIALVPTMGFLHEGHLSLVRDAHNHADLVAVSIYVNPGQFSPTEDLSAYPSDFQGDLQKLMSVPGGVDVVFHPHNLYDYGGDGGDAVAECGGDGVVSCVDRRSGFGHETWVRAEKLEKPLCGKSRPVFFRGVATIVTKLFNIVEPDVAVFGKKDYQQWKIIQRMVRDLDFSIKVIGSEVIREKDGLAMSSRNVYLSPEEREKAVSINKSLFRAKSAAEDGQIHCEKLINLVVQSITEAGGRIDYAEIVDQNNLEKVEWIKGPVVFCVSAWFGKARLIDNIEINL,CC(C)(CO)[C@@H](O)C(=O)O,CC(C)(CO)[C@@H](O)C(=O)O,CC(C)(CO)[C@@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3565473235138126,,s_ac4888201ab536eccab378de,test
catpreddb_km_km_d9630ab9236f41,catpred_iteration1_km,km,P23940,P23940,MEVEKEFITDEAKELLSKDKLIQQAYNEVKTSICSPIWPATSKTFTINNTEKNCNGVVPIKELCYTLLEDTYNWYREKPLDILKLEKKKGGPIDVYKEFIENSELKRVGMEFETGNISSAHRSMNKLLLGLKHGEIDLAIILMPIKQLAYYLTDRVTNFEELEPYFELTEGQPFIFIGFNAEAYNSNVPLIPKGSDGMSKRSIKKWKDKVENK,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cc(Br)c(O)nc4=O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)nc4O)C[C@@H]3O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3COP(=O)(O)O[C@H]3C[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_aa5d044a95a05c64b29d095f,test
catpreddb_km_km_d9654da73279a1,catpred_iteration1_km,km,Q08AC1,Q08AC1,MTTRLLAYLQLGIALYHSGVRAQATLNPTDTMIISNAQVSPDGFARSAVVVNGVHPGPLLTGQKDDTFAINVVNELNDPTMLRSTSVHWHGLFQKGTNWADGAEGVNQCPISPASPENTENAFEYRFTPAGHAGTFWYHSHFGTQYCDGLRGPMVVYDPQDPYLGDYDVDNASTVITLADWFHTPAPSLRAPFRPDATLINGIGRTPGGEQVDLAVVNVEAGKKYRFRVVSLACDVNFQFSIDGHKLTIIEADGQLTDRLEVDRIQIFTGQRYSVILNANQEPGNYRIRAIPNAGVPGLVGTVDEGVNSAILRYAGAPIEEPSSDPPANPVDLREWELHAFSGPGFDPSAPGTPEIGAADVVLPLQFTFVGGKFQVNGVAYESPDVPTLLQIMSGRNPGELMPEGSVHYLPRNQVVEVQIPSGSISNSGPHPFHLHGHAFSVVRSAGNSTPNFVNPVKRDVVSIGGASDSVTIRFVTDNPGPWFFHCHIEPHLVDGLAIVFAEAMEDTVQANPLPEDREYCSVLHAFSGNLC,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.826813731587726,,s_5d1f7d80eb4f0e46dc133185,test
catpreddb_km_km_d97ac0bdc26821,catpred_iteration1_km,km,P81908,P81908,EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF,C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2.[I-],C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2.[I-],C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2.[I-]>>,public_strict_iteration1_fulltrue_msa,,-1.1870866433571443,,s_52c964c2a1ff16ad71fd90a1,test
catpreddb_km_km_d97cb39897eb17,catpred_iteration1_km,km,P29804,P29804,GKMLAAVSRVLSGVAQKPASRVLVASRTFANDATFEIKKCDLHRLEEGPPVTTVLTREDGLKYYRMMQTVRRMELKADQLYKQKIIRGFCHLCDGQEACCVGLEAGINPTDHLITAYRAHGFTFTRGLSVREILAELTGRRGGCGKGKGGSMHMYAKNFYGGNGIVGAQVPLGAGIALACKYNGKDEVCLTLYGDGAANQGQIFEAYNMAALWKLPCVFICENNRYGMGTSVERAAASTDYYKRGDFIPGLRVDGMDILCVREATRFAAAYCRSGKGPILMELQTYRYHGHSMSDPGVSYRTREEIQEVRSKSDPIMLLKDRMVNSNLASVEELKEIDVEVRKEIEDAAQFATADPEPPLEELGYHIYCNDPPFEVRGANQWIKFKSIS,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O,CC(C)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.5693092169497462,,s_b1bb4555b0f958100a00cd82,test
catpreddb_km_km_d97d8173e8c105,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.2102873175014475,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_d9841bffe33562,catpred_iteration1_km,km,A0QY29,A0QY29,MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVVPDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAMYTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFHPAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADRPESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAALWRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVPAALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIEIDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGYGF,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_c98fff9ef9ca8eb344a3f0c8,test
catpreddb_km_km_d989acc3c86b22,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_d991060a0a2beb,catpred_iteration1_km,km,G1U5X6,G1U5X6,MALAISAARVWGPRRQAVPLLLRQLGARGLTRSQLPRWQQQQQFSSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPQEKVLKFYQSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALENTDLVFGQYREAGVLMYRDYPLELFMAQCYGNVSDRGKGRQMPVHYGCKERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGIMSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHFLLSRGWWDEEQEKAWRKQSRKKVMEAFEQAERKLKPSPSLLFSDVYQEMPPQLRKQQESLARHLQTYGEHYPLDHFDK,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5376020021010439,,s_e20fe1e71bdaa77d152d5f75,test
catpreddb_km_km_d993a5f181cb91,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.0492908945133723,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_d997b5996ce339,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](Cc1cnc[nH]1)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.7695510786217263,,s_955f208818110e17c458234b,test
catpreddb_km_km_d9b4ea95eea6cb,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,COC(=O)[C@@H](N)CS,COC(=O)[C@@H](N)CS,COC(=O)[C@@H](N)CS>>,public_strict_iteration1_fulltrue_msa,,-0.6777807052660807,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_d9b811dc6946d6,catpred_iteration1_km,km,Q68SL7,Q68SL7,MSVVSAVSFMRPLHMRSPGPRGRRHTLPASEFRSLSPEDAISVFEIEREAFISVSGECPLHLDEVRHFLTLCPELSLGWFEEGRLVAFIIGSLWDQERLTTDALTLHKPHGTTVHIHVLAVHRTFRQQGKGSILMWRYLQYLRCLPYIRRAVLMCEDFLVPFYQKSGFKVQGPSDITVGPLTFIEMLYPVRGHAFMRRNSGC,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_ecc820d6303eca4ddb9ee17a,test
catpreddb_km_km_d9cc34f418350f,catpred_iteration1_km,km,Q57573,Q57573,MKWDEIGKNIAKEIEKEILPYFGRKDKSYVVGTSPSGDETEIFDKISEDIALKYLKSLNVNIVSEELGVIDNSSEWTVVIDPIDGSFNFINGIPFFAFCFGVFKNNEPYYGLTYEFLTKSFYEAYKGKGAYLNGRKIKVKDFNPNNIVISYYPSKKIDLEKLRNKVKRVRIFGAFGLEMCYVAKGTLDAVFDVRPKVRAVDIASSYIICKEAGALITDENGDELKFDLNATDRLNIIVANSKEMLDIILDLL,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.0409586076789064,,s_2bf532d075628659b9957308,test
catpreddb_km_km_d9ce5fc1b74c25,catpred_iteration1_km,km,Q8KQ59,Q8KQ59,MSIQHFRVALIPFFAAFCLPVFAHPETLVKVKDAEDQLGARVGYIELDLNSGKILESFRPEERFPMMSTFKVLLCGAVLSRVDAGQEQLGRRIHYSQNDLVKYSPVTEKHLTDGMTVRELCSAAITMSDNTAANLLLTTIGGPKELTAFLHNMGDHVTRLDHWEPELNEAIPNDERDTTTPAAMATTLRKLLTGELLTLASRQQLIDWMEADKVAGPLLRSALPAGWFIADKSGASERGSRGIIAALGPDGKPSRIVVIYTTGSQATMDERNRQIAEIGASLIKHW,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)Cc3cccs3)[C@H]2SC1>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_48d0e57876a633501632a01a,test
catpreddb_km_km_d9cf18e32d983c,catpred_iteration1_km,km,P74334,P74334,MVTSPPTSSPSQRSYSPQDWLRGYQSQPQEWDYWVEDVEGSIPPDLQGTLYRNGPGLLEIGDRPLKHPFDGDGMVTAFKFPGDGRVHFQSKFVRTQGYVEEQKAGKMIYRGVFGSQPAGGWLKTIFDLRLKNIANTNITYWGDRLLALWEGGQPHRLEPSNLATIGLDDLGGILAEGQPLSAHPRIDPASTFDGGQPCYVTFSIKSSLSSTLTLLELDPQGKLLRQKTETFPGFAFIHDFAITPHYAIFLQNNVTLNGLPYLFGLRGAGECVQFHPDKPAQIILVPRDGGEIKRIPVQAGFVFHHANAFEENGKIILDSICYNSLPQVDTDGDFRSTNFDNLDPGQLWRFTIDPAAATVEKQLMVSRCCEFPVVHPQQVGRPYRYVYMGAAHHSTGNAPLQAILKVDLESGTETLRSFAPHGFAGEPIFVPRPGGVAEDDGWLLCLIYKADLHRSELVILDAQDITAPAIATLKLKHHIPYPLHGSWAQT,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)C[C@H](O)C1,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CO)C(C)(C)C[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_70ae931ba6eb5833a7ffc65c,test
catpreddb_km_km_d9d8f734102878,catpred_iteration1_km,km,B0JFD4,B0JFD4,MLRRSVLCAVQHKQLWQRQRSMSSLLCSKALIDGKWVSALSGDTFEVKNPANGKVIGSVPNMNEKDAQMAITAARNAFYSEEWTSLTAKQRSQLLKNWYHLIEKHTQEIAEIMTAESGKPIIESKAEVFYGNAFMEWFAEEARRIYGEIVPTPVPNRELIVMKQPLGVAALITPWNFPLAMITRKAGAALAAGCTVVIKPAEDTPFTALAVAKLAEEAGIPKGVVNVVTSNKAPPIGELFCKSPDVQGISFTGSTEVGKILFRQSADGIKRVSLELGGNAPFIVFDSANLEKAVDGAMASKFRNCGQTCVSSNRFFVQEGIYDKFVAALKERVEALKIGPGDKDTTQVGPLVNAMQFNKVSGFVEDARSKNAEILCGGKPLKELGDLFYAPTVVTNIPPNAKIYTEEVFGPVVSIIKFSTEEEALAKANESRRGLAGYFYSDNIQQIFRVAKRLEVGMVGVNEGLISAAEAPFGGIKESGIGREGSHHGIDEYTEVKYICIGNLKYN,CCCCC=O,CCCCC=O,CCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-1.0824944904474534,,s_f4328dd84240d18560a03152,test
catpreddb_km_km_d9da4790a7c072,catpred_iteration1_km,km,P51903,P51903,MSLSNKLTLDKVDVKGKRVVMRVDFNVPMKDHKITNNQRIKAAVPTIKHCLDHGAKSVVLMSHLGRPDGVPMPDKFSFSPVAVELKALLGREVSFLKDCVGPEVEKACANPANGSVILLENLRFHVEEEGKGKDASGNKIKADAAKVEAFRASLSKLGDVYVNDAFGTAHRAHSSMVGVHLPQKAAGFLMKKELDYFAKALESPERPFLAILGGAKVQDKIQLISNMLDKVNEMIIGGGMAFTFLKVLNNMQIGNSLFDEEGSKIVKDLMAKAEKNGVKITLPVDFITADKFDEHAQTGEATVASGIPAGWMGLDCGPESVKKFVEVVGRAKQIVWNGPVGVFEWDKFSKGTKALMDKVVEVTGKGCITIIGGGDTATCCAKWNTEDKVSHVSTGGGASLELLEGKVLPGVDALSSV,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_865db3202ac224d025647b0f,test
catpreddb_km_km_d9e4a3b42dbc97,catpred_iteration1_km,km,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,O=C(O)C(=O)COP(=O)(O)O,O=C(O)C(=O)COP(=O)(O)O,O=C(O)C(=O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_0424465e822fd7a94a631a04,test
catpreddb_km_km_d9f9e7376af5c8,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.6989700043360174,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_d9fdf66bcae84a,catpred_iteration1_km,km,Q16853,Q16853,MNQKTILVLLILAVITIFALVCVLLVGRGGDGGEPSQLPHCPSVSPSAQPWTHPGQSQLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSPAAMTTRYVDGGFGMGKYTTPLTRGVDCPYLATYVDWHFLLESQAPKTIRDAFCVFEQNQGLPLRRHHSDLYSHYFGGLAETVLVVRSMSTLLNYDYVWDTVFHPSGAIEIRFYATGYISSAFLFGATGKYGNQVSEHTLGTVHTHSAHFKVDLDVAGLENWVWAEDMVFVPMAVPWSPEHQLQRLQVTRKLLEMEEQAAFLVGSATPRYLYLASNHSNKWGHPRGYRIQMLSFAGEPLPQNSSMARGFSWERYQLAVTQRKEEEPSSSSVFNQNDPWAPTVDFSDFINNETIAGKDLVAWVTAGFLHIPHAEDIPNTVTVGNGVGFFLRPYNFFDEDPSFYSADSIYFRGDQDAGACEVNPLACLPQAAACAPDLPAFSHGGFSHN,CCCCN,CCCCN,CCCCN>>,public_strict_iteration1_fulltrue_msa,,0.4517864355242902,,s_7ed9ac5c23544be7912027e6,test
catpreddb_km_km_da1f1b54e973e3,catpred_iteration1_km,km,A0A168S2B8,A0A168S2B8,MESGGMSKNSTLICVPIMGETIEKMVVDMSKAKTSGADLVEVRLDTLKRFNPRQDLEVLIRKCPLPTLFTYRPKWEGGQYEGDENSRRDALRLAMELGADYVDIELKVAHEFINSIHGRKPEKFKVIVSSHNYQNTPSVEDLGNLVVSIQATGADIVKIATTALEITDVARIFQITVHSQVPVIGLVMGERGLISRILCPKFSGYLTFGSLEPGIVSAPGQPTIKDLLNLYNFRQLGPDTKVFGVIGKPVSHSKSPHLYNEAFKSVGFNGVYVHLLVDDIAKFFHTYSAADFAGFSCTIPHKEAALKCCDEVSPVAKSIGAVNCIIRRPSDGKLFGYNTDYVGAISAIEDGLRDLHKISSTSGSPLAGKLFVVIGAGGAGKALAYGAKEKGARVVIANRTYARARELADAVGGDALSLADLNNFHPENGMILANTTSIGMQPKVDETPISKHALKYYSLVFDAIYTPKITRLLREAQESGATIVTGLEMFIGQAYEQFERFTGLPAPKELFKQFISNLQ,O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1,O=C(O)C1=CC(=O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.8041003475907662,,s_ea17a99ea775fd120e8e6609,test
catpreddb_km_km_da336f5f1c5920,catpred_iteration1_km,km,Q5V676,Q5V676,MFLYLYSIFGNCFHPITRPGGCDRRHENGFPQPTRNGSMRAAIYRGPGDITVEEVPRPEIESPTDAIVRVTHTAVCGSDLWFYRGQSDREEGSRVGHEPMGIVEEVGDDVRSVEPGDRVFAPFVVSCGRCEFCRKGLHTSCVNGDSWGGDNGGGQGEYVRATEADGTLVRVPDRHADDEDTLEAILPLTDVMGTGHHAAVSAGVSEGDTCIVVGDGAVGLCGVLAARRLGAERIIAMGHHEDRLELAESFGATETVAARGQDAVDAADDLTNGGANHVLECVGAASAMETAIDVCRPGGTVGYVGVPHGLDDSGLDMFSLFGDNIGLNGGIAPVRAYADELLADVLQGTLDPSPIFTKTVDLNGVPEGYQAMDEREAIKVLVKL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_39557efc97d3e38125bd4282,test
catpreddb_km_km_da3d838ad11a03,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.1105897102992489,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_da481ded51d3a8,catpred_iteration1_km,km,P06802,P06802,MERDGDQAGHGPRHGSAGNGRELESPAAASLLAPMDLGEEPLEKAERARPAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFSNCRCDAACVSLGNCCLDFQETCVEPTHIWTCNKFRCGEKRLSRFVCSCADDCKTHNDCCINYSSVCQDKKSWVEETCESIDTPECPAEFESPPTLLFSLDGFRAEYLHTWGGLLPVISKLKNCGTYTKNMRPMYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPLWYKGQPIWVTANHQEVKSGTYFWPGSDVEIDGILPDIYKVYNGSVPFEERILAVLEWLQLPSHERPHFYTLYLEEPDSSGHSHGPVSSEVIKALQKVDRLVGMLMDGLKDLGLDKCLNLILISDHGMEQGSCKKYVYLNKYLGDVNNVKVVYGPAARLRPTDVPETYYSFNYEALAKNLSCREPNQHFRPYLKPFLPKRLHFAKSDRIEPLTFYLDPQWQLALNPSERKYCGSGFHGSDNLFSNMQALFIGYGPAFKHGAEVDSFENIEVYNLMCDLLGLIPAPNNGSHGSLNHLLKKPIYNPSHPKEEGFLSQCPIKSTSNDLGCTCDPWIVPIKDFEKQLNLTTEDVDDIYHMTVPYGRPRILLKQHHVCLLQQQQFLTGYSLDLLMPLWASYTFLRNDQFSRDDFSNCLYQDLRIPLSPVHKCSYYKSNSKLSYGFLTPPRLNRVSNHIYSEALLTSNIVPMYQSFQVIWHYLHDTLLQRYAHERNGINVVSGPVFDFDYDGRYDSLEILKQNSRVIRSQEILIPTHFFIVLTSCKQLSETPLECSALESSAYILPHRPDNIESCTHGKRESSWVEELLTLHRARVTDVELITGLSFYQDRQESVSELLRLKTHLPIFSQED,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.337242168318426,,s_db874159a334ddcf8fd4960d,test
catpreddb_km_km_da5149b5de2147,catpred_iteration1_km,km,A0A4Y5R2N2,A0A4Y5R2N2,MANTEHVRLLGLWSSPFSRRVEWALKLKDVDYEYIEEDIFNKSSQLIELNPVHKAVPVFVHGEKVIAESFVILEYIDETWKQCPLMPQDPHERAMTRFWTKFAEEKMSAAWTATCSLGEEKEKAAKLTVDALEKIEGVLKGKRFFGGESIGYSDIAVGWMSYWLPIWEEVGSTKIVDPLQFPALTSWMRNFLEHPVIKENLPPRDKMIIYFQKRSIEFFPRPRG,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1354889189416081,,s_4ae5820f2be4a47c60a27118,test
catpreddb_km_km_da68311d7db981,catpred_iteration1_km,km,P17752,P17752,MIEDNKENKDHSLERGRASLIFSLKNEVGGLIKALKIFQEKHVNLLHIESRKSKRRNSEFEIFVDCDINREQLNDIFHLLKSHTNVLSVNLPDNFTLKEDGMETVPWFPKKISDLDHCANRVLMYGSELDADHPGFKDNVYRKRRKYFADLAMNYKHGDPIPKVEFTEEEIKTWGTVFQELNKLYPTHACREYLKNLPLLSKYCGYREDNIPQLEDVSNFLKERTGFSIRPVAGYLSPRDFLSGLAFRVFHCTQYVRHSSDPFYTPEPDTCHELLGHVPLLAEPSFAQFSQEIGLASLGASEEAVQKLATCYFFTVEFGLCKQDGQLRVFGAGLLSSISELKHALSGHAKVKPFDPKITCKQECLITTFQDVYFVSESFEDAKEKMREFTKTIKRPFGVKYNPYTRSIQILKDTKSITSAMNELQHDLDVVSDALAKVSRKPSI,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O,NC(Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2545995239945724,,s_11464cac78fa396921bed3a7,test
catpreddb_km_km_da7fda48ef60b6,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,CC1=C(C)C(=O)C(C)=C(C)C1=O,CC1=C(C)C(=O)C(C)=C(C)C1=O,CC1=C(C)C(=O)C(C)=C(C)C1=O>>,public_strict_iteration1_fulltrue_msa,,-0.8664610916297825,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_da80a09fc63eec,catpred_iteration1_km,km,P00469,P00469,MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2,Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CN2>>,public_strict_iteration1_fulltrue_msa,,-1.866199819739485,,s_8872a5ded9b1f61cb4b520ad,test
catpreddb_km_km_da9154e12f5440,catpred_iteration1_km,km,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.5871099968120086,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_da96d78c36cad7,catpred_iteration1_km,km,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.1386184338994925,,s_6a41f9ca86cba24130c89784,test
catpreddb_km_km_dab8b05fc6cded,catpred_iteration1_km,km,A0A2K3CSB8,A0A2K3CSB8,MQSLQRVAHGRGLVARPTTRTVAPRTVTVQRAVSTDAESFVIPAAPDLIPDGAWAKVEGGVCAAKGFKATGVYAGLRASGRKGDLALVVADAPATVAGTFTQNVMCAAPVLYCKDVLSRRKTVRAVMTNAGQANAATGTQGYEDSVACAQALAAALGVEADDVLLQSTGVIGRRMKMESFLPAIPQLPASLGASTADAHRAAVAITTTDLVSKEAALRVTLSSGAVVTVGGMCKGSGMIHPNMATMLGVVTCDAAVSSDVWTGIVKRASVASFNSITVDGDTSTNDCVIGLASGAAGNPPITDPASQDAQLLDAAVTALMQGLAKSIAWDGEGATCLLEIEVTGAASDADARVIARSVAGSSLAKSAFFGHDPNWGRIAAAAGYSGIIFDQADLGVRLGAMTLMRDGQPLPFDKAAANKYLKDTCAVHGTVQVFVTVGKGPGRGMAWGCDLSYDYVKINAEYTT,CC(O)=N[C@@H](CCCN)C(=O)O,CC(O)=N[C@@H](CCCN)C(=O)O,CC(O)=N[C@@H](CCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7403626894942439,,s_163adc14538e2131d4c18d81,test
catpreddb_km_km_dadc72a2c56204,catpred_iteration1_km,km,Q99Z67,Q99Z67,MAKQYKNLVNGEWKLSENEITIYAPATGEELGSVPAMTQAEVDAVYASAKKALSDWRALSYVERAAYLHKAADILVRDAEKIGAILSKEVAKGHKAAVSEVIRTAEIINYAAEEGLRMEGEVLEGGSFEAASKKKIAIVRREPVGLVLAISPFNYPVNLAGSKIAPALIAGNVVALKPPTQGSISGLLLAEAFAEAGIPAGVFNTITGRGSVIGDYIVEHEAVSFINFTGSTPIGEGIGKLAGMRPIMLELGGKDSAIVLEDADLALAAKNIVAGAFGYSGQRCTAVKRVLVMDKVADQLAAEIKTLVEKLSVGMPEDDADITPLIDTSAADFVEGLIKDATDKGATALTAFNREGNLISPVLFDHVTTDMRLAWEEPFGPVLPIIRVTTVEEAIKISNESEYGLQASIFTTNFPKAFGIAEQLEVGTVHLNNKTQRGTDNFPFLGAKKSGAGVQGVKYSIEAMTTVKSVVFDIQ,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1,NC(=O)c1ccc[n+](C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.4145392704914993,,s_89298c75d444ed32e558ce54,test
catpreddb_km_km_daeec5040c138e,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCC/C=C\CCCCCCCC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_db0494d3ed2986,catpred_iteration1_km,km,P07871,P07871,MHRLQVVLGHLAGRSESSSALQAAPCSAGFPQASASDVVVVHGRRTPIGRAGRGGFKDTTPDELLSAVLTAVLQDVKLKPECLGDISVGNVLQPGAGAAMARIAQFLSGIPETVPLSAVNRQCSSGLQAVANIAGGIRNGSYDIGMACGVESMTLSERGNPGNISSRLLENEKARDCLIPMGITSENVAERFGISRQKQDAFALASQQKAASAQSKGCFRAEIVPVTTTVLDDKGDRKTITVSQDEGVRPSTTMEGLAKLKPAFKDGGSTTAGNSSQVSDGAAAVLLARRSKAEELGLPILGVLRSYAVVGVPPDIMGIGPAYAIPAALQKAGLTVNDIDIFEINEAFASQALYCVEKLGIPAEKVNPLGGAIALGHPLGCTGARQVVTLLNELKRRGRRAYGVVSMCIGTGMGAAAVFEYPGN,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.154901959985743,,s_b19a8f0986d15ddae5bdcdf4,test
catpreddb_km_km_db07105bfadf64,catpred_iteration1_km,km,Q6PQJ9,Q6PQJ9,MSWWWAGAIGAAKKRLEEDDAQPKHSSVALIVGVTGIIGNSLAEILPLADTPGGPWKVYGVARRTRPAWHEDNPINYVQCDISDPDDSQAKLSPLTDVTHVFYVTWANRSTEQENCEANSKMFRNVLDAVIPNCPNLKHISLQTGRKHYMGPFESYGKIESHDPPYTEDLPRLKYMNFYYDLEDIMLEEVEKKEGLTWSVHRPGNIFGFSPYSMMNLVGTLCVYAAICKHEGKVLRFTGCKAAWDGYSDCSDADLIAEHHIWAAVDPYAKNEAFNVSNGDVFKWKHFWKVLAEQFGVGCGEYEEGVDLKLQDLMKGKEPVWEEIVRENGLTPTKLKDVGIWWFGDVILGNECFLDSMNKSKEHGFLGFRNSKNAFISWIDKAKAYKIVP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_3025df5d8606abb888287682,test
catpreddb_km_km_db09f70b979375,catpred_iteration1_km,km,D4N500,D4N500,MEKAKLMKLGNGMEIPSVQELAKLTLAEIPSRYVCANENLLLPMGASVINDHETIPVIDIENLLSPEPIIGKLELDRLHFACKEWGFFQVVNHGVDASLVDSVKSEIQGFFNLSMDEKTKYEQEDGDVEGFGQGFIESEDQTLDWADIFMMFTLPLHLRKPHLFSKLPVPLRETIESYSSEMKKLSMVLFNKMEKALQVQAAEIKGMSEVFIDGTQAMRMNYYPPCPQPNLAIGLTSHSDFGGLTILLQINEVEGLQIKREGTWIAVKPLPNAFVVNVGDILEIMTNGIYHSVDHRAVVNSTNERLSIATFHDPSLESVIGPISSLITPETPALFKSGSTYGDLVEECKTRKLDGKSFLDSMRI,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.785156151952305,,s_e36fe41b61be86b8015e2b49,test
catpreddb_km_km_db11c160909c94,catpred_iteration1_km,km,P53985,P53985,MPPAVGGPVGYTPPDGGWGWAVVIGAFISIGFSYAFPKSITVFFKEIEGIFHATTSEVSWISSIMLAVMYGGGPISSILVNKYGSRIVMIVGGCLSGCGLIAASFCNTVQQLYVCIGVIGGLGLAFNLNPALTMIGKYFYKRRPLANGLAMAGSPVFLCTLAPLNQVFFGIFGWRGSFLILGGLLLNCCVAGALMRPIGPKPTKAGKDKSKASLEKAGKSGVKKDLHDANTDLIGRHPKQEKRSVFQTINQFLDLTLFTHRGFLLYLSGNVIMFFGLFAPLVFLSSYGKSQHYSSEKSAFLLSILAFVDMVARPSMGLVANTKPIRPRIQYFFAASVVANGVCHMLAPLSTTYVGFCVYAGFFGFAFGWLSSVLFETLMDLVGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVVLIISGIYLFIGMGINYRLLAKEQKANEQKKESKEEETSIDVAGKPNEVTKAAESPDQKDTDGGPKEEESPV,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3979400086720376,,s_0611bfb309482e20df191481,test
catpreddb_km_km_db3792d2caa1f6,catpred_iteration1_km,km,P54855,P54855,MSLKWTSVFLLIQLSCYFSSGSCGKVLVWPTEYSHWINMKTILEELVQRGHEVTVLTSSASTLVNASKSSAIKLEVYPTSLTKNYLEDSLLKILDRWIYGVSKNTFWSYFSQLQELCWEYYDYSNKLCKDAVLNKKLMMKLQESKFDVILADALNPCGELLAELFNIPFLYSLRFSVGYTFEKNGGGFLFPPSYVPVVMSELSDQMIFMERIKNMIHMLYFDFWFQIYDLKKWDQFYSEVLGRPTTLFETMGKAEMWLIRTYWDFEFPRPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGIVVFSLGSMISNMSEESANMIASALAQIPQKVLWRFDGKKPNTLGSNTRLYKWLPQNDLLGHPKTKAFITHGGTNGIYEAIYHGIPMVGIPLFADQHDNIAHMKAKGAALSVDIRTMSSRDLLNALKSVINDPVYKENVMKLSRIHHDQPMKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWIQYHSLDVIAFLLACVATVIFIITKFCLFCFRKLAKKGKKKKRD,Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45,Oc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45>>,public_strict_iteration1_fulltrue_msa,,-1.0371573187987575,,s_3e3af325b89d5ed51da3da46,test
catpreddb_km_km_db636784f6835e,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,O=C(C(=O)c1ccccc1)c1ccccc1,O=C(C(=O)c1ccccc1)c1ccccc1,O=C(C(=O)c1ccccc1)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.7182594573027945,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_db7c90312caf4a,catpred_iteration1_km,km,Q27733,Q27733,MRKKRTLKVSINEIKKYCPFVKNIQFLYNTNEKKNNLVLSVMSDLCPVGKAINEKHFIIIDNKSKINIIKILKQANMQSKVLVQCIKNKNIEKENMSNDDLLKSGKRNNNVLFYDILEKNKNDHSFQINDNTIQKNNIIYKYINSLDEYKLFKNNCNNNLKDLLNKLYTDKRYRIFTILNKYRINYPNVYIENNKLMLPSFYEFYQKYGYKPCIGNIRYQLSASFEDNNKNICSFSHKNKENYLFNFWNLHIDNVSNEKTVVWCSNDYLCLSNNEKIIEVGIETLKKIGNSSGGTRNISGSLLNHTHLEYIIAKWYNKESSLLFTSGYIANVGALETLGKLLNLIYISDEMNHASIINGIRESRCEKFIFKHNDMNDLERILYNLRINKQYENRKIMIVFESIYSMSGHISNIEYIVQLAKKYNALTYVDEVHAVGLYGNKGSGYLEELHLCNHIDIINGTLSKAIGSLGGFICANKYYIDVIRSYSSHFIFTTSLTPVNINTSAEAIHIIQNDMSLRKKLTQVVNKTKQKLQERGIQVLHNNSHIVVLMINSAEKCKQICDDLLKEYNIYIQPINYPTVPMGMERIRITPSPFHTDEQIFKLVNSLYTLFKKYQVNMFDKKNKHTLMKL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_047848e51a01baed85f52b95,test
catpreddb_km_km_db8671746a2e3f,catpred_iteration1_km,km,P27142,P27142,MNLVLMGLPGAGKGTQAEKIVAAYGIPHISTGDMFRAAMKEGTPLGLQAKQYMDRGDLVPDEVTIGIVRERLSKDDCQNGFLLDGFPRTVAQAEALETMLADIGRKLDYVIHIDVRQDVLMERLTGRRICRNCGATYHLIFHPPAKPGVCDKCGGELYQRADDNEATVANRLEVNMKQMKPLVDFYEQKGYLRNINGEQDMEKVFADIRELLGGLAR,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_bac69ee5fb03134f154123a7,test
catpreddb_km_km_db92f1be12f6a3,catpred_iteration1_km,km,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCCc1c[nH]c2ccccc12,NCCc1c[nH]c2ccccc12,NCCc1c[nH]c2ccccc12>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_7b85f430e37427f09efb431e,test
catpreddb_km_km_dba1f069551073,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CCCc1ccccc1,O=C(O)CN=C(O)CCCc1ccccc1,O=C(O)CN=C(O)CCCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_dbae65919c937b,catpred_iteration1_km,km,A9QXB5,A9QXB5,MVIFTDLDGTLLNHEDYSFKDAIPSLERIKKKGIPLVIVTSKTKKEVELIQKELGIEEPFIVENGAAVFFPKGYRGFNIRCDQENRYCIIKLGRDYREIRDFIEKIKDKFKIKGFGDMTVEEIVRLTDLPYDRAELAKERDFTEPFIIEDEKDIKDLEEIAEKEGFKITKGGRFYHLIGKGQDKGRAVQIVKKVFEENYGEVPLTVGLGDSRNDIPMLREVDIPILIPHINKKYESVNLPGIIKAEYPGSKGWNESIWRILNEIERGCC,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@@H](COP(=O)(O)O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.485699784482628,,s_3f36d756073c6fd26fff1632,test
catpreddb_km_km_dbb9704c6f1fe3,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,O=C(O)CC(O)C(=O)O,O=C(O)CC(O)C(=O)O,O=C(O)CC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1303337684950061,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_dbc61456f8986d,catpred_iteration1_km,km,P96318,P96318,MVSHPCTADEAKPPSEGQLARFENGKLIVPDNLIVAYFKGDGIGPEIVESAKKVLDAAVDKAYGGTRRIVWWEVTAGEEAQKECGSLLPDGTLQAFKLARVNLKGPLTTPVGGGFRSLNVTLRMVLDLYSNVRPVKWYGQPTPHCHPENIDWVIFRENTEDVYAGIEWPFDSPEAQKIRDFLKKEFGIELTPDTGIGIKPISKWRTQRHVRRAMEWAIRNGYKHVTIMHKGNIMKYTEGAFRQWAYDLILSEFRDYVVTEEEVNTKYGGKAPEGKIIVNDRIADNMLQQIITRPGEYNVIVTPNLNGDYISDEANALVGGIGMAAGLDMGDGIAVAEPVHGSAPKYAGKNVINPTAEILSGMYLLSDFVGWPEVKLLVEYAVKQAIAHKQVTYDLAREMGGVTPISTTEYTDVLVDYIRHADLKALKGQ,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1426675035687317,,s_18da4dea7a0b5b8d4731137d,test
catpreddb_km_km_dbc7caf66bbf4b,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CCC(=O)c1ccccc1,CCC(=O)c1ccccc1,CCC(=O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_dbc840a77b6559,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.08278537031645,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_dbccbe2e7731ad,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.8450980400142568,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_dbd020bcb860e7,catpred_iteration1_km,km,Q6PQJ9,Q6PQJ9,MSWWWAGAIGAAKKRLEEDDAQPKHSSVALIVGVTGIIGNSLAEILPLADTPGGPWKVYGVARRTRPAWHEDNPINYVQCDISDPDDSQAKLSPLTDVTHVFYVTWANRSTEQENCEANSKMFRNVLDAVIPNCPNLKHISLQTGRKHYMGPFESYGKIESHDPPYTEDLPRLKYMNFYYDLEDIMLEEVEKKEGLTWSVHRPGNIFGFSPYSMMNLVGTLCVYAAICKHEGKVLRFTGCKAAWDGYSDCSDADLIAEHHIWAAVDPYAKNEAFNVSNGDVFKWKHFWKVLAEQFGVGCGEYEEGVDLKLQDLMKGKEPVWEEIVRENGLTPTKLKDVGIWWFGDVILGNECFLDSMNKSKEHGFLGFRNSKNAFISWIDKAKAYKIVP,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-0.5361070110140927,,s_3025df5d8606abb888287682,test
catpreddb_km_km_dbe3113f4de058,catpred_iteration1_km,km,P02829,P02829,MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQFGVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDDQLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKEVPIPEEEKKDEEKKDEEKKDEDDKKPKLEEVDEEEEKKPKTKKVKEEVQEIEELNKTKPLWTRNPSDITQEEYNAFYKSISNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSAFSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKAVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFELEETDEEKAEREKEIKEYEPLTKALKEILGDQVEKVVVSYKLLDAPAAIRTGQFGWSANMERIMKAQALRDSSMSSYMSSKKTFEISPKSPIIKELKKRVDEGGAQDKTVKDLTKLLYETALLTSGFSLDEPTSFASRINRLISLGLNIDEDEETETAPEASTAAPVEEVPADTEMEEVD,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.4202164033831898,,s_a23da6027d1547e2d928653e,test
catpreddb_km_km_dbe92268b4aa4d,catpred_iteration1_km,km,O31526,O31526,MRRSCLMIRRRKRMFTAVTLLVLLVMGTSVCPVKAEGAARQMEALNRGLVAVKTDGGIFVSWRFLGTENASVLFNVYRDGQKLNAAPVKTTNYVDKNGSAGSTYTVRAVVNGTEQPASEKASVWAQPYHSVPLDKPAGGTTPKGESYTYSANDASVGDVDGDGQYELILKWDPSNSKDNSQDGYTGDVLIDAYKLDGTKLWRINLGKNIRAGAHYTQFMVYDLDGDGKAEVAMKTADGTKDGTGKVIGNANADYRNEQGRVLSGPEYLTVFQGSTGKELVTANFEPARGNVSDWGDSYGNRVDRFLAGIAYLDGQRPSLIMTRGYYAKTMLVAYNFRDGKLSKLWTLDSSKSGNEAFAGQGNHNLSIADVDGDGKDEIIFGSMAVDHDGKGMYSTGLGHGDALHTGDLDPGRPGLEVFQVHEDKNAKYGLSFRDAATGKILWGVYAGKDVGRGMAADIDPRYPGQEVWANGSLYSAKGVKIGSGVPSSTNFGIWWDGDLLREQLDSNRIDKWDYQNGVSKNMLTASGAAANNGTKATPTLQADLLGDWREEVVWRTEDSSALRIYTTTIPTEHRLYTLMHDPVYRLGIAWQNIAYNQPPHTSFFLGDGMAEQPKPNMYTP,C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O,C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_6fdfe29067a6fb276bf667a8,test
catpreddb_km_km_dbf0df6c0e577a,catpred_iteration1_km,km,Q53TZ2,Q53TZ2,MSDQVSLGVVGIGKIARDQHLPAIDAEPGFKLTACASRHAEVTGVRNYRDLRALLAAERELDAVSLCAPPQVRYAQARAALEAGKHVMLEKPPGATLGEVAVLEALARERGLTLFATWHSRCASAVEPAREWLATRAIRAVQVRWKEDVRRWHPGQQWIWEPGGLGVFDPGINALSIVTRILPRELVLREATLIVPSDVQTPIAAELDCADTDGVPVRAEFDWRHGPVEQWEIAVDTADGVLAISRGGAQLSIAGEPVELGPEREYPALYAHFHALIARGESDVDVRPLRLVADAFLFGRRVQTDAFGR,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3522939979838741,,s_a9e19d5a7c8e9ce32691a61d,test
catpreddb_km_km_dc01af408ad7c4,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C>>,public_strict_iteration1_fulltrue_msa,,-2.2006594505464183,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_dc2420710f3688,catpred_iteration1_km,km,A0A0G2T690,A0A0G2T690,MVSSLPPIIAGAAIYRLVSSKTLPDLTSAFFELEIPDQISLLSLLFASVFSAVSISGFIAPPGHNDDDDEDEHKPPFQYPLKEIASKTTDKEKFLSVYPCLRDSIAEYFATKHEMVPEGVNWITEMIDYSCVGGKMNRGITVLTVARTLSGSSGLTPREEARASVVGWGIEFLQAFFLVADDLMDDSKTRRGQPCWYLLPKVGTIAVNDSFLLESFVFTFLKEHFGKEPYYIKLVELFLETIQQTECGQLLDLTSQPKDAKTADLSRFTIERYRKIVKYKTAFYSFYLPVASAMLMSGVTNSKSFKTARNICCIMGEYFQIQDDVLDCYGTPEVIGKVGTDIQDNKCSWLIVQALDRATPEQRKVIEENYGKWDDAKVAKIKAIYNEMGLKSVFEKYEEDSYAEIQEELKKINDIPQEVFTLFLDKIYKRSK,CC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9746941347352296,,s_e69bdfd6698e15450ce39b87,test
catpreddb_km_km_dc2ca37ad1aaaa,catpred_iteration1_km,km,P47788,P47788,MKPPAACAGDALDVAAPCSAVNYLRWDLSAQQIGELTTELIEQTKRVYDRVGTQELQDVSYENTLKALADVEVSYTVQRNILDFPQHVSPCKDIRTASTEADKKLSEFDVEMSMRQDVYQRIVWLQEKVQKDSLRPEAARYLERLIKLGRRNGLHLPKETQEKIKSIKKKLSLLCIDFNKNLNEDTTFLPVTREELGGLPEDFLNSLEKTEDEKLKVTLKYPHYFPLLKKCHVPETRRKVEEAFNCRCKEENCAILRELVRLRAQKSSLLGFSTHADYVLEMNMAKTSQVVATFLDELAQKLKPLGEQERAVILELKKAECTKRGLDFDGRINAWDMRYYMNQVEETRYRVDQNLLKEYFPMQVVTRGLLGIYQELLGLTFHLEEGAAVWHEDVMLYSVRDAASGKVIGKFYLDLYPREGKYGHAACFGLQPGCLRQDGSRQIAIAAMVANFTKPTPDAPSLLQHDEVETYFHEFGHVMHQLCSQAEFAMFSGTHVERDFVEAPSQMLENWVWEAEPLLRMSQHYRTGSAIPQELLEKLIKSRQANTGLFNLRQIVLAKVDQALHTQTAADPAEEYARLCQEILGVPATPGTNMPATFGHLAGGYDAQYYGYLWSEVYSADMFHTRFKQEGILSGKVGMDYRSCILRPGGSEDASVMLKLFLGRDPKQDAFLLSKGLQVEGCEPPAS,CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)c1ccccc1N)C(O)=N[C@@H](CCCNC(=N)N)C(O)=NC(CCCNC(=N)N)C(O)=N[C@@H](CC(=N)O)C(O)=NC(CCC(=N)O)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_955f208818110e17c458234b,test
catpreddb_km_km_dc310d9aeb6849,catpred_iteration1_km,km,Q9F1Y5,Q9F1Y5,MTTETTTATATAKIPAPATPYQEDIARYWNNEARPVNLRLGDVDGLYHHHYGIGPVDRAALGDPEHSEYEKKVIAELHRLESAQAEFLMDHLGQAGPDDTLVDAGCGRGGSMVMAHRRFGSRVEGVTLSAAQADFGNRRARELRIDDHVRSRVCNMLDTPFDKGAVTASWNNESTMYVDLHDLFSEHSRFLKVGGRYVTITGCWNPRYGQPSKWVSQINAHFECNIHSRREYLRAMADNRLVPHTIVDLTPDTLPYWELRATSSLVTGIEKAFIESYRDGSFQYVLIAADRV,CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C(\C)COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_75fd08e1a005c55cbd677978,test
catpreddb_km_km_dc51086d84ee3c,catpred_iteration1_km,km,Q8TLW1,Q8TLW1,MSRMTSLLSQFVSKTDFESYEDFQENFKILVPENFNFAYDVVDVYARDSPEKLAMIWCDDYGNEKIFTFKDLKYYSDKAANFFVKHGIGKGDYVMLTLKSRYDFWYCMLGLHKLGAIAVPATHMLKTRDIVYRIEKAGLKMIVCIAEDDVPEQVDEAHAECGDIPLKKAKVGGDVLEGWIDFRKELEESSPIFERPTGEVSTKNEDICLVYFSSGTAGFPKMVEHDNTYPLGHILTAKYWQNVEDDGLHYTVADSGWGKCVWGKLYGQWIAGCAVFVYDYDRFEAKNMLEKASKYGVTTFCAPPTIYRFLIKEDLSHYNFSTLKYAVVAGEPLNPEVFNRFLEFTGIKLMEGFGQTETVVTIATFPWMEPKPGSIGKPTPGYKIELMDRDGRLCEVGEEGEIVINTMEGKPVGLFVHYGKDPERTEETWHDGYYHTGDMAWMDEDGYLWFVGRADDIIKTSGYKVGPFEVESALIQHPAVLECAITGVPDPVRGQVIKATIVLTKDYTPSDSLKNELQDHVKNVTAPYKYPRIIEFVPELPKTISGKIRRVEIRDKDQSQ,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.6242820958356683,,s_5df5588f23339e6a8fa46c15,test
catpreddb_km_km_dc51a41de3d5be,catpred_iteration1_km,km,O04130,O04130,MAFSSSCSSVKAVNSRWTSPSPSPSSRFAVLPAFLHRRYATSVKLTAISAALKTVEQTTLTEDNRFSTVGSDSDEYNPTLPKPRILVTEKLGEAGVNLLREFGDVDCSYDLSPEDLKKKVAESDALIVRSGTKVTREVFEAAKGRLKVVGRAGVGIDNVDLQAATEHGCLVVNAPTANTVAAAEHGIALLASMARNVAQADASIKAGKWERSKYVGVSLVGKTLAVMGFGKVGTEVARRAKGLGMTVISHDPYAPADRARALGVDLVSFDQAISTADFVSLHMPLTPATKKVFNDETFSKMKKGVRLINVARGGVIDEDALVRALDAGIVAQAALDVFCEEPPSKDSRLIQHENVTVTPHLGASTKEAQEGVAIEIAEAVAGALKGELSATAVNAPMVAPEVLSELTPYIVLAEKLGRLAVQLASGGKGVQSIRVVYRSARDRDDLDTRLLRAMITKGIIEPISDSYVNLVNADFIAKQKGLRISEERMVVDSSPEYPVDSIQVQILNVESNFAGAVSDAGDISIEGKVKYGVPHLTCVGSFGVDVSLEGNLILCRQVDQPGMIGQVGNILGEQNVNVNFMSVGRTVLRKQAIMAIGVDEEPDNKTLERIGGVSAIEEFVFLKL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7335545978376508,,s_0424465e822fd7a94a631a04,test
catpreddb_km_km_dc5471590e387f,catpred_iteration1_km,km,P53986,P53986,MPPAIGGPVGYTPPDGGWGWAVLVGAFISIGFSYAFPKSITVFFKEIEVIFSATTSEVSWISSIMLAVMYAGGPISSILVNKYGSRPVMIAGGCLSGCGLIAASFCNTVQELYLCIGVIGGLGLAFNLNPALTMIGKYFYKKRPLANGLAMAGSPVFLSTLAPLNQAFFDIFDWRGSFLILGGLLLNCCVAGSLMRPIGPEQVKLEKLKSKESLQEAGKSDANTDLIGGSPKGEKLSVFQTINKFLDLSLFTHRGFLLYLSGNVVMFFGLFTPLVFLSSYGKSKDFSSEKSAFLLSILAFVDMVARPSMGLAANTKWIRPRIQYFFAASVVANGVCHLLAPLSTTYVGFCVYAGVFGFAFGWLSSVLFETLMDLIGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVILIIAGIYLFIGMGINYRLLAKEQKAEEKQKREGKEDEASTDVDEKPKETMKAAQSPQQHSSGDPTEEESPV,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.801403710017355,,s_0a6034a8229b3ca3ddcef7e0,test
catpreddb_km_km_dc5f1dbcb52497,catpred_iteration1_km,km,Q84HC8,Q84HC8,MGKRAAHIGLRALADLATPMAVRVAATLRVADHIAAGHRTAAEIASAAGAHADSLDRLLRHLVAVGLFTRDGQGVYGLTEFGEQLRDDHAAGKRKWLDMNSAVGRGDLGFVELAHSIRTGQPAYPVRYGTSFWEDLGSDPVLSASFDTLMSHHLELDYTGIAAKYDWAALGHVVDVGGGSGGLLSALLTAHEDLSGTVLDLQGPASAAHRRFLDTGLSGRAQVVVGSFFDPLPAGAGGYVLSAVLHDWDDLSAVAILRRCAEAAGSGGVVLVIEAVAGDEHAGTGMDLRMLTYFGGKERSLAELGELAAQAGLAVRAAHPISYVSIVEMTAL,Cc1cc(O)cc2c(C(=O)O)c(O)ccc12,Cc1cc(O)cc2c(C(=O)O)c(O)ccc12,Cc1cc(O)cc2c(C(=O)O)c(O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-0.6861327796308466,,s_3b6158366dc5e9cd890fd20c,test
catpreddb_km_km_dc84c960f8e190,catpred_iteration1_km,km,A0JC77,A0JC77,MAPNAPFARSLRLQRLHHHDPDRLFIVPLDHSITDGPLSRAHRLDPLVGELASHHVDGIVLHKGSLRHVDPEWFTRTSLIVHLSASTVHAPDPNAKYLVSSVEESLRMGADAVSVHVNLGSEGERHQIADMAAVAEACDRWNVPLLAMMYPRGPKIDDPRDPALVAHAVQVAVDLGADLVKTLYVGSVAAMAEITAASPVPVVVVGGPRDSDESRILAYVDDALRGGAAGVAMGRNVFQAPDPGAMADKLSDLIHNSGTRGAARAPAGAAAGAA,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.2518119729938,,s_6ed69a3db6fe87e936fb4ce0,test
catpreddb_km_km_dca5152a0d1c43,catpred_iteration1_km,km,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.1894118591124823,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_km_km_dcd303e0a2d697,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CC/C=C\C/C=C\CCCC/C=C\CCCCC(=O)[O-],CC/C=C\C/C=C\CCCC/C=C\CCCCC(=O)[O-],CC/C=C\C/C=C\CCCC/C=C\CCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_dcfa28167352f0,catpred_iteration1_km,km,Q9S762,Q9S762,MSLLLPTNLQQYPSSSSFPSSTPILSPPPSTAFSVIVPRRRCLRLVTSCVSTVQSSVATNGSSPAPAPAAVVVERDQIRLGLPSKGRMAADAIDLLKDCQLFVKQVNPRQYVAQIPQLPNTEVWFQRPKDIVRKLLSGDLDLGIVGLDTLSEYGQENEDLIIVHEALNFGDCHLSIAIPNYGIFENINSLKELAQMPQWSEERPLRLATGFTYLGPKFMKENGIKHVVFSTADGALEAAPAMGIADAILDLVSSGITLKENNLKEIEGGVVLESQAALVASRRALNERKGALNTVHEILERLEAHLKADGQFTVVANMRGNSAQEVAERVLSQPSLSGLQGPTISPVYCTQNGKVSVDYYAIVICVPKKALYDSVKQLRAAGGSGVLVSPLTYIFDEDTPRWGQLLRNLGI,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O,O=P(O)(O)OCC1OC(OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3410725381869158,,s_44f804b8834e7e7e1f692098,test
catpreddb_km_km_dcfcba19d9ab22,catpred_iteration1_km,km,P07650,P07650,MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLTMAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHTGGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSIPLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLTDMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKLQAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALGMAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAAIKLADKAPESTPTVYRRISE,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6220625721637543,,s_3be5357697ef18007ae0960b,test
catpreddb_km_km_dcff9128de16a3,catpred_iteration1_km,km,B0ZB56,B0ZB56,MELARNDQTEAALRGEANVWKSINGIADFMVMKCALELRIPDIVHSHSAPITLAQIASSVPDSPSLNLSYLSRIMRLLVRRKIFSQHKSLDGEEVLYGPTHSSRLLLSKTTLPDQVTLAPFVAFMTHPYLSAPWSCLARCVKEGGNGFEMVHGGRQLWDLSPGNPEFNKVFNDGMASTARITTMAILSEYRDVFCGICSLVDVGGEFGGSISAIVKSHPHIKGINYDLPHVVATAPTYTGLVSHVGGNMFEWIPTAVAVFMKWILHDWADEDCVKILKNCRRAMPEKGGKIIIVDIVLEPEGNGLFDDAAVMLDIALMALTRGKERTEKEWKRVLEEGGFPRYQILKIPALTSVIEAYPQ,O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)cc1O,O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)cc1O,O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)cc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6252516539898961,,s_326aeb57bc380be7a0794e2a,test
catpreddb_km_km_dd0a9b14b4799e,catpred_iteration1_km,km,P53004,P53004,MNAEPERKFGVVVVGVGRAGSVRMRDLRNPHPSSAFLNLIGFVSRRELGSIDGVQQISLEDALSSQEVEVAYICSESSSHEDYIRQFLNAGKHVLVEYPMTLSLAAAQELWELAEQKGKVLHEEHVELLMEEFAFLKKEVVGKDLLKGSLLFTAGPLEEERFGFPAFSGISRLTWLVSLFGELSLVSATLEERKEDQYMKMTVCLETEKKSPLSWIEEKGPGLKRNRYLSFHFKSGSLENVPNVGVNKNIFLKDQNIFVQKLLGQFSEKELAAEKKRILHCLGLAEEIQKYCCSRK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.714909561533439,,s_11342393ff618e3c41413bb9,test
catpreddb_km_km_dd25a6e61ee7ad,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0154785163470932,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_dd2a4c2eadfaa8,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-0.6363880201078557,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_dd368da0c761bc,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.578695380194719,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_dd3eeab24f9f6c,catpred_iteration1_km,km,O29610,O29610,MQYEKVKPPENGEKIRYENGKLIVPDNPIIPYFEGDGIGKDVVPAAIRVLDAAADKIGKEVVWFQVYAGEDAYKLYGNYLPDDTLNAIKEFRVALKGPLTTPVGGGYRSLNVTIRQVLDLYANVRPVYYLKGVPSPIKHPEKVNFVIFRENTEDVYAGIEWPRGSEEALKLIRFLKNEFGVTIREDSGIGIKPISEFATKRLVRMAIRYAIENNRKSVTLVHKGNIMKYTEGAFRDWGYEVAKQEFGEYCITEDELWDKYGGKQPEGKIVVKDRIADNMFQQILTRTDEYDVIALPNLNGDYLSDAAAALIGGLGIAPGSNIGDGIGVFEPVHGSAPKYAGQNKVNPTAEILTGALMFEYIGWKDASEMIKKAVEMTISSGIVTYDIHRHMGGTKVGTREFAEAVVENLQSL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.7323937598229685,,s_5d09c2f232622d7ffb91a1fc,test
catpreddb_km_km_dd5617c1ade67e,catpred_iteration1_km,km,Q9L555,Q9L555,MKVLFTTFAAKSHMHAQVPLAWALQTAGHEVRIASQPDLAEDITRTGLTAVCVGEPLLLEEQMQRVNEGLGDDAEIMESQAEAGMDMTETRPEMLTWDHVLGVFTSMTAMAFQNSCPERMIDDVVAFAREWQPDLIVWDTLSFAGPVAAQVTGAAHARLLFGLDLLGRMRETFLDLQEERLPEQRDDPLREWLTWTLGRYGAEFEEEVAVGQWTVDPVPPSMRFPVKQPFVPLRYIPYNGQAVIPDWLHEPPKKRRVCLTLGVAHREVLDGDRASIGELVEALAELDVEVVATLNEKQLAGMELPDNVRAVDFVPLNALLPTCSAVIHHGGSGTFQTALAHGVPQLIVPDMVWDTIHKAKQLERFGAGLYLHDVDNYTAQDLRDHLLRLLEEPSFAENCARIRREMVGTPSPNDIVPLLEKLTAEHRRDRGARGTVRGEQ,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC>>,public_strict_iteration1_fulltrue_msa,,-0.9717373753727074,,s_97ef0c32eac98fa1480a9b5a,test
catpreddb_km_km_dd64f51f613b8f,catpred_iteration1_km,km,H0UUH1,H0UUH1,MADTQYILPNDIGVSSLDCREAFRLLSPTERLYAHHLSRAAWYGGLAVLLQTSPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEFQAFLVYAAGVYSNMGNYKSFGDTKFIPNLPKEKLERVILGSEAMQQHPEEVRSLWQACGELMFSLEPRLRHLGLGKEGITTYFSGDCTMEDAKLAQDFLDSQNLSAYNTRLFKEVDEEGKPCYEVRLASVLSADTASVSEVTSKLKSYEFQGNHFRVTRGDYAPILQKVVEHLEKAKTYAANSHQEQMLAQYVESFTGSIEAHKKGSRFWIQDKGPIVESYIGFIESYRDPFGSRGEFEGFVAMVNKAMSAKFERLVASAEQLLKELPWPPAFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVSLGNVLAVAYATQREKLTFLEEEDKDLYTRWKGPSFDVQVGLHELLGHGSGKLFAQDEKGVFNFDPETVINPETGEQIQSWYRSGETWDSKFSTIASSYEECRAESVGLYLCLNPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYTPEASNWRQAHMQARFVILRVLLEAGEGLVTVTPTTGSDGRPDARVRLDRNKIRSVGRPALERFLRRLQVMKSTGDVAGGRALYEGYAAVTDAPPECFLTLRDTVLLRKESRKLIVQPNTRLEGSEVQLLEYEASAAGLIRSFSERFPDDGPELEAVLTQLATADARFWKSPNEALSGQP,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CCCNC(=N)N)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.259637310505756,,s_f8378bfd3203e9322c5dbcf4,test
catpreddb_km_km_dd69da0c13f2c8,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_dd8c4bdea5f4cb,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7585917820809135,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_dd8f5fd74d4b34,catpred_iteration1_km,km,Q9PBQ1,Q9PBQ1,MPDHSHRLLTVAVTSRALFDLEEGHALFERDGVDAYAHYQREHEDDVLQPGVAFPVVRKLLALNRGALAEMPRVEVILLSRNSADTGLRIFNSIQHYGLGIVRATFTSGEATWPYVKPFGTDLFLSANPVSVRRALEHGIAAATIMPRMLGERVEAAAAVADNECSSLPVQLRIAFDGDAVIFGDEGERMSREQGVEAFGRYERERAREPLTGGPFRNFLSALQALQAAFPSGEASPIRTALVTARSAPAHERVIRTLREWGVRLDEALFLGGRHKGPFLEAFGADIFFDDSQHNIDSARQHQSVAAGHVPHGVANDPG,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.6497519816658371,,s_540814c1b16a7b107ebba450,test
catpreddb_km_km_dda26f7b7c3f1b,catpred_iteration1_km,km,D6XZ22,D6XZ22,MHEIGEHLTTNTGWDIIKNRYEAAQAITEGSNFMIGNGFMGYRGTFAEDGKDAYAACIVTDTWDKADGKWEELSTVPNALLTLLHVDGEPFIMSEEAASFERTLDLSQGVTSRKVSQRMKNGATITIHEEKFASYRKKHAVLMKYTVESDQDTDAVLDTGIDYDVWSINGDHLQGHHYFSHPTGDGVTAKTVSYEDTVTVVETCSLDADASEEDYQNPDGSGRTFSLSLEAGKPVTLEKAMIIYSSNDVDNPQDEALLEAKHMQSYEEEKAANRLEWDNLWSHYDVTIQNNIIDQVALRFNIYHAIIATPVHKSLPIGARGLSCQAYQGAAFWDQEIYNMPMYLYSNPEIARNILKYRHRTLDGARRKAKRLGYEGAYYAWISGKTGDELCPDFFFKDVLSGRDIRNHFNDWQIHISPDIAYAVKKYHQVTGDDAFIRDYGAEMIFEIARFLASHAVYKPMRGRYEFMRVQGPDEYHENVDNNAFTNHQAMFTLQAADELLQTLDEKTLSAVKEKIGLSDDEISLWRDMLANTYVPKPDKHGIIEQFDGYYDLETIIPAKKVTERLIKEDEYYGYPNGVTVRTQCIKQADVIQLFVLHPHLYDRKTVELNYEFYEPRTLHFSSLSPSSYAIVAAQIDKVEEAYRNFRKSVMIDLLNTNEAVSGGTFIGGIHTAANGASWQMVVNGFGGLSVHGDDIHLSPRLPDAWDGYTFKAIVKGQTLEVDVTKEQITITNKSEDRKPLTLHIFGEKSVLDSERITKSR,OCC(O)CO,OCC(O)CO,OCC(O)CO>>,public_strict_iteration1_fulltrue_msa,,0.7558748556724915,,s_a552d0eac025e054561f5816,test
catpreddb_km_km_de09f9d733635c,catpred_iteration1_km,km,Q5GJ60,Q5GJ60,MAAPTLTADGPRLGQQEMKKMSPSFHPTLWGDFFLSYEAPTEAQEAQMREKAAVLKEEVRNMIKGSHDVPEIVDLIITLQRLNLDYHYEDEINEKLTVVYKSNYDGGNLDLVSRRFYLLRKCGYDVSSDVFLKFKDQLGNFVEADTRSLLSLYNAAFLRIHGETVLDEAISFTMRVLQDRLEHLESPLAEEVSSALDTPLFRRVGTLEMKDYIPIYEKDAKQNKSILEFAKLNFNLLQLRYSSELKECTTWWKELRVESNLSFVRDRIVEVYFWMSGGCYDPQYSHSRIILTKIVAFITILDDTLDSHATSCESMQLAEAIERWDESAVSLLPEYMKDFYMYLLKTFSSFENELGPDKSYRVFYLKEAVKELVREYTKEIKWRDEDYVPKTLKEHLKVSLISIGGTLVLCSAFVGMGDVVTKKIMKWVMSDAELVKSFGIFVRLSNDIVSTKREQREKHCVSTVQCYMKQHEITMDEACEQIKELTEDSWKFMIEQGLALKEYPIIVPRTVLEFARTVDYMYKEADKYTVSHTIKDMLTSLYVKPVLM,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.677780705266081,,s_95c96e0158fbf44121e952b6,test
catpreddb_km_km_de1af76c0197fc,catpred_iteration1_km,km,E9QYP0,E9QYP0,MESVERKSESSYLGMRNMQPEQRLSLDPPRLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSASNIHAQPKICFLERQKQFAWHSGMLVPGSKMQISFIKDLATLRDPRSSFTFLNYLHQKGRLIHFTNLSTFLPARLEFEDYMRWCAQQFSDVVAYGEEVVEVIPGKSDPSSSVVDFFTVRSRNVETGEISARRTRKVVIAIGGTAKMPSGLPQDPRIIHSSKYCTTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPNSRTTLIMRDSAMRPSDDSPFVNEIFNPERVDKFYSQSAAERQRSLLADKATNYSVVRLELIEEIYNDMYLQRVKNPDETQWQHRILPERKITRVEHHGPQSRMRIHLKSSKPESEGAANDVKETLEVDALMVATGYNRNAHERLLSKVQHLRPTGQDQWKPHRDYRVEMDPSKVSSEAGIWLQGCNERTHGLSDSLLSVLAVRGGEMVQSIFGEQLERAAVQGHQLRAML,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O,NCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0418395231239731,,s_6efbf23cc1f6293dd0303815,test
catpreddb_km_km_de40011d45202d,catpred_iteration1_km,km,P37321,P37321,MNVIIKAVVTASTLLMVSFSSFETSAQSPLLKEQIESIVIGKKATVGVAVWGPDDLEPLLINPFEKFPMQSVFKLHLAMLVLHQVDQGKLDLNQTVIVNRAKVLQNTWAPIMKAYQGDEFSVPVQQLLQYSVSHSDNVACDLLFELVGGPAALHDYIQSMGIKETAVVANEAQMHADDQVQYQNWTSMKGAAEILKKFEQKTQLSETSQALLWKWMVETTTGPERLKGLLPAGTVVAHKTGTSGIKAGKTAATNDLGIILLPDGRPLLVAVFVKDSAESSRTNEAIIAQVAQTAYQFELKKLSALSPN,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5044556624535514,,s_27531fb3688217415c49ec38,test
catpreddb_km_km_de40bf440d556c,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCSC)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6232492903979004,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_de6621c6ce809c,catpred_iteration1_km,km,P04181,P04181,MFSKLAHLQRFAVLSRGVHSSVASATSVATKKTVQGPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILRNELMKLPSDVVTAVRGKGLLNAIVIKETKDWDAWKVCLRLRDNGLLAKPTHGDIIRFAPPLVIKEDELRESIEIINKTILSF,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2160354969279388,,s_58788980d9e3f8d588063d04,test
catpreddb_km_km_de7568911befe9,catpred_iteration1_km,km,O42479,O42479,MAAAGRAARPLVAGGRQLRVPLRWRGQVAAAAPSTKPQAEPETRKPKTGILMLNMGGPERLDDVHDFLLRLFLDRDLMTLPAQNKLAPFIAKRRTPRIQEQYSRIGGGSPIKKWTAVQGEGMVKLLDSMSPQTAPHKYYIGFRYVHPLTEEAIEEMEDDGIERAIAFTQYPQYSCSTTGSSLNAIYRYYNKKGKKPKMKWSIIDRWPTHPLLIQCFADHIQKELDLFPPDKRKDVVILFSAHSLPMSVVNRGDPYPQEVGATVQRVMEKLNHSNPYRLVWQSKVGPMPWLVPQTDETIKGLCQRGKKNMLLVPIAFTSDHIETLYELDIEYAQVLANECGVENIRRAESLNGNPLFSKALADLVCSHIQSNEICSKQLTLCCPLCVNPVCRETKAFFTNQQL,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-1.4814860601221125,,s_4bd741ea99f7e281e0df9fc7,test
catpreddb_km_km_de8d00b91b7a0e,catpred_iteration1_km,km,P31430,P31430,MLIIWWFWSLLAICASDSFRNQAENIMRTTPVIDGHNDLPWQMLTLFNNQLRKSEANLSALAETHTNIPKLRAGFVGGQFWSAYMPCDTQNKDAVKRILEQIDVIHRMCQLYPETFECVTNSSDILQAFRRGKVASLIGVEGGHLIDSSLGVLRTLYHLGMRYLTLTHNCNTPWADNWLVDKGDDEAESQGLSPFGKLVLNEMNRLGVMIDLSHVSVATMKDALQLSKAPVIFSHSSAYSVCPHRRNVPDDVLQLVKSTNSLVMVNFYNQFVSCSDSATLSQVADHLDHIKKVAGAGAVGLGGDYDGVTNLPVGLEDVSKYPDLIAELLRRNWTETEVRGLLAENLLRVFSAVELVSNIMQVPEEETIPVEKLDGSCRTFYGHSRAPSIHLQIGALLASLASLVFSLHLL,C[C@H](N)C(=O)NCC(=O)O,C[C@H](N)C(=O)NCC(=O)O,C[C@H](N)C(=O)NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_78e99e98f0034af4f2e8fcad,test
catpreddb_km_km_de97b8bc8734ef,catpred_iteration1_km,km,A0A6A5Q0M3,A0A6A5Q0M3,MGSDRSCVLSVFQTILKLVIFVAIFGAAISSRLFAVIKFESIIHEFDPWFNYRATKYLVNNSFYKFLNWFDDRTWYPLGRVTGGTLYPGLMTTSAFIWHALRNWLGLPIDIRNVCVLFAPLFSGVTAWATYEFTKEIKDASAGLLAAGFIAIVPGYISRSVAGSYDNEAIAITLLMVTFMFWIKAQKTGSIMHATCAALFYFYMVSAWGGYVFITNLIPLHVFLLILMGRYSSKLYSAYTTWYAIGTVASMQIPFVGFLPIRSNDHMAALGVFGLIQIVAFGDFVKGQISTAKFKVIMMVSLFLILVLGVVGLSALTYMGLIAPWTGRFYSLWDTNYAKIHIPIIASVSEHQPVSWPAFFFDTHFLIWLFPAGVFLLFLDLKDEHVFVIAYSVLCSYFAGVMVRLMLTLTPVICVSAAVALSKIFDIYLDFKTSDRKYAIKPAALLAKLIVSGSFIFYLYLFVFHSTWVTRTAYSSPSVVLPSQTPDGKLALIDDFREAYYWLRMNSDEDSKVAAWWDYGYQIGGMADRTTLVDNNTWNNTHIAIVGKAMASPEEKSYEILKEHDVDYVLVIFGGLIGFGGDDINKFLWMIRISEGIWPEEIKERDFYTAEGEYRVDARASETMRNSLLYKMSYKDFPQLFNGGQATDRVRQQMITPLDVPPLDYFDEVFTSENWMVRIYQLKKDDAQGRTLRDVGELTRSSTKTRRSIKRPELGLRV,CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@H](C(O)=N[C@@H](CO)C(O)=N[C@H](C(=O)O)C(C)C)[C@@H](C)O,CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@H](C(O)=N[C@@H](CO)C(O)=N[C@H](C(=O)O)C(C)C)[C@@H](C)O,CC(C)C[C@H](N=C(O)[C@H](CC(=N)O)N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@H](C(O)=N[C@@H](CO)C(O)=N[C@H](C(=O)O)C(C)C)[C@@H](C)O>>,public_strict_iteration1_fulltrue_msa,,-0.7614393726401688,,s_942b39c1db7ad79494e440b9,test
catpreddb_km_km_dea11f40f76062,catpred_iteration1_km,km,Q8VX47,Q8VX47,MEEAAAGPLHTRVCIIGSGPAAHTAAVYAARAELKPVLFEGWLANDIAAGGQLTTTTDVENFPGFPDGILGIDLMDRCRAQSVRFGTKIFSETVTSVDFSSRPFRVSSDDTVVHADSVVVATGAVARRLHFAGSDAFWNRGITACAVCDGAAPIFRNKPIAVVGGGDSAMEEANFLTKYGSRVYIIHRRDAFRASKIMQARALSNPKIQVVWDSEVVEAYGGSDGGPLGGVKVKNLVTGEVSDFRVAGLFFAIGHEPATKFLAGQLELDSEGYVATKPGSTHTSVKGVFAAGDVQDKKYRQAITAAGSGCMAALDAEHYLQEVGAQEGKTD,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-3.397940008672037,,s_4d446d89e25c743c05db53c5,test
catpreddb_km_km_ded5e049c917ff,catpred_iteration1_km,km,P32055,P32055,MSKQRVFIAGHRGMVGSAIRRQLEQRGDVELVLRTRDELNLLDSRAVHDFFASERIDQVYLAAAKVGGIVANNTYPADFIYQNMMIESNIIHAAHQNDVNKLLFLGSSCIYPKLAKQPMAESELLQGTLEPTNEPYAIAKIAGIKLCESYNRQYGRDYRSVMPTNLYGPHDNFHPSNSHVIPALLRRFHEATAQNAPDVVVWGSGTPMREFLHVDDMAAASIHVMELAHEVWLENTQPMLSHINVGTGVDCTIRELAQTIAKVVGYKGRVVFDASKPDGTPRKLLDVTRLHQLGWYHEISLEAGLASTYQWFLENQDRFRG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.9633711046378388,,s_5759da3e7fd9d6e38286434c,test
catpreddb_km_km_deed748ccd2158,catpred_iteration1_km,km,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,O=C/C=C/c1ccccc1,O=C/C=C/c1ccccc1,O=C/C=C/c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-2.275724130399211,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_km_km_deeddc4e224506,catpred_iteration1_km,km,Q9SCA0,Q9SCA0,MSAAAATMAGSLSSHTLSSREFSGGLQVSSTRVRKLQRGAFAPMRPLCAVDPGRKSQSPVAPLAAVPSSTSDAVTLVQAAETSTVDVVDFEKLASELERASPLEIMDKALEMFGNDIAIAFSGAEDVALIEYARLTGRPFRVFSLDTGRLNPETYRFFDEVEKRYNIRIEYMFPDAVEVQALVRSKGLFSFYEDGHQECCRVRKVRPLRRALRGLRAWITGQRKDQSPGTRASVPTVQVDPSFEGFEGGTGSLIKWNPVANVDGQDIWRFLRTMAVPVNSLHSQGYVSIGCEPCTRPVLPGQHEREGRWWWEDAKAKECGLHKGNIKQDESVPPSSNGNGTAPSDLFSVVSLSRPGMENLLRLESRKDSWLVVLYAPWCRFCQGMEESFNEVAGVLGGDSGVKVGKFRADGDARAFAEEIGLVSFPTILFFPKHASKPVKYPSEQRDVDSLLAFVNALR,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.2253092817258628,,s_cbb6e44bf348f4fe8eaa545e,test
catpreddb_km_km_df0d155a6e3175,catpred_iteration1_km,km,Q39761,Q39761,MASQVSQMPSSSPLSSNKDEMRPKADFQPSIWGDLFLNCPDKNIDAETEKRHQQLKEEVRKMIVAPMANSTQKLAFIDSVQRLGVSYHFTKEIEDELENIYHNNNDAENDLYTTSIRFRLLREHGYNVSCDVFNKFKDEQGNFKSSVTSDVRGLLELYQASYLRVHGEDILDEAISFTTHHLSLAVASLDHPLSEEVSHALKQSIRRGLPRVEARHYLSVYQDIESHNKALLEFAKIDFNMLQFLHRKELSEICRWWKDLDFQRKLPYARDRVVEGYFWISGVYFEPQYSLGRKMLTKVIAMASIVDDTYDSYATYEELIPYTNAIERWDIKCIDEIPEYMKPSYKALLDVYEEMVQLVAEHGRQYRVEYAKNAMIRLAQSYLVEAKWTLQNYKPSFEEFKANALPTCGYAMLAITSFVGMGDIVTPETFKWAASDPKIIQASTIICRFMDDVAEHKFKHRREDDCSAIECYMEEYGVTAQEAYDVFNKHVESAWKDLNQEFLKPTEMPTEVLNRSLNLARVMDVLYREGDGYTYVGKAAKGGITSLLIEPIAL,C=CC(C)(CC/C=C(\C)CCC=C(C)C)OP(=O)(O)OP(=O)(O)O,C=CC(C)(CC/C=C(\C)CCC=C(C)C)OP(=O)(O)OP(=O)(O)O,C=CC(C)(CC/C=C(\C)CCC=C(C)C)OP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-3.1870866433571443,,s_219acb068abb1da864bac43f,test
catpreddb_km_km_df171c57b48140,catpred_iteration1_km,km,Q8MP06,Q8MP06,MFRKFVIMLVLSLLVAAGISQASSASRVCIIGAGYSGLATARYLQDYGLNYTIFEATPNIGGTWRYDPRVGTDEDGIPIYSSNYKNLRVNSPVDLMTYHGYEFQEGTRSFISGNCFYKYMKSFVRHFGLMENIQVRSLVTWVQRTEDKWNLTYMKTDTRKNYTEECDFVVVASGEFSTPKIPHIKGQEEYKGKTMHSHDYKEAESFRGQRVLVIGAGPSGLDVVMQLSNITSKLVHSQHILKSWHIFNQPDFPGNFISKPNVKHFTANGAVFEDDTVEEFDMVIYCTGFYYNHPFLSTLSSGITATENYVMPLYQQVVNINQPTMTFVGICKPFFAKLLDQQAHYSAKLAAGHFKLPSQDKMLRHWLEHVQMLREAQFKITDVNSVGPNVDEYFKALHKEAGVPLLPPVYASVFVFSGKTLLEDLQNYREYDYRIISDTQFKKKYNPREEVCPYDD,C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)C(O)(O)[C@]1(C)O)[C@H]23,C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)C(O)(O)[C@]1(C)O)[C@H]23,C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)C(O)(O)[C@]1(C)O)[C@H]23>>,public_strict_iteration1_fulltrue_msa,,-1.9030899869919435,,s_f920b11baaa6c5444b21cf82,test
catpreddb_km_km_df2396e218f5e1,catpred_iteration1_km,km,O80560,O80560,MDIINNNHRDENDDDEEEALSAMSSVPPPRKIHSYSHQLRATGQKGHHRQRQHSLDDIPKITEIVSGCGISGDSSDDEFYPYATTTNSSSFPFTGGDTGDSDDYLHQPEIGEDFQPLPEFVGSGGGVGMFKVPTRSPLHSARPPCLELRPHPLKETQVGRFLRNIACTETQLWAGQESGVRFWNFDDAFEPGCGLSGRVQRGDEDAAPFQESASTSPTTCLMVDNGNRLVWSGHKDGKIRSWKMDYVLDDGDDSPFKEGLAWQAHKGPVNSVIMSSYGDLWSCSEGGVIKIWTWESMEKSLSLRLEEKHMAALLVERSGIDLRAQVTVNGTCNISSSEVKCLLADNVRSKVWAAQLQTFSLWDGRTKELLKVFNSEGQTENRVDMPLGQDQPAAEDEMKAKIASTSKKEKPHGFLQRSRNAIMGAADAVRRVATRGGGAYEDAKRTEAMVLAGDGMIWTGCTNGLLIQWDGNGNRLQDFRHHQCAVLCFCTFGERIYIGYFDWLREKDQLRAEMKAGRVFQGMREAIITFPPTYKFERHRPGLGGYDSGEKKRIPAWCDRVIFRDTRTSPESECSLDCPVVASIMLYDACMDVTESDHKPVRCKFHVKIEHVDRSVRRQEFGRIIKTNEKVRALLNDLRYVPETIVSSNSIVLQNQDTFVLRITNKCVKENAVFRILCEGQSTVREDEDTLELHPLGSFGFPRWLEVMPAAGTIKPDSSVEVSVHHEEFHTLEEFVDGIPQNWWCEDTRDKEAILVVNVQGGCSTETVCHRVHVRHCFSAKNLRIDSNPSNSKSQSLKKNEGDSNSKSSKKSDGDSNSKSSKKSDGDSNSKSSKKSDGDSNSKSSKKSDGDSNSKSSKKSDGDSNSKSSKKSDGDSNSKSSKKSDGDSCSKSQKKSDGDTNSKSQKKGDGDSSSKSHKKNDGDSSSKSHKKNDGDSSSKSHKKSDGDSSSKSHKKSEGDSSSKSHKKNDGDSSSSYKSQSGKKNSNSSTVEESRNNHNKR,O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O,O=P(O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.632644078973981,,s_3870ae33f8dc2d8dc7a2e29b,test
catpreddb_km_km_df2a66077581ad,catpred_iteration1_km,km,A0A4Y5R087,A0A4Y5R087,MAEVKLYGFWPSPFSHRIIWALKLKGVEYEYIEEDLSNKSESLLKYNPVYKKTPVLVHGDKPIAESLVILEYIEETWPENPLLPKDPYERAMARFWIQYGVDTVAALRAFYLGSGEELEKAAKELSECLKILEEQGLGDKKFFGGESMNLVDISYGALGYWLAAVEEAKGVTVLKPSTLPRLHAWAKNLDELPVVKENIPASDKMLAYVTAAMNRPAKN,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0729847446279303,,s_b54e176c31b3fbcb3621d554,test
catpreddb_km_km_df4600ea33c7f0,catpred_iteration1_km,km,A0A9I9,A0A9I9,MVVLVICGGGNGAHVLAGIASSNPNADVRVLTLYADEAERWTKAMEGNDFVVTVNNQDKSQTILKNKPRLVTKDPALAANKADMIVFTVPAFAHRQYLDALKPHIRPGTVLVGLPGQSGFEFEVWTAWGDLAKQCSIMSFESLPWACRFTEFGRAATVIGTKENLAGAAWYGSVPPKADPTLVLQGCLGPHPVLLTRGALLGITLMATNGYIHPSILFGRWHKWDGNPVNEPPLFYNGLDEFSAQTMSSVSDEILAVASSLMKQRPQVDLTNVAHIWQWYLRVYADDIGDKTSLFTTIRTNAAYSGLTHPTTKTDDGKFVPDFKHRYLMEDIPFGLLVSKGIAEVAGVPTPTIDSVISWAQQKMGKEYIVNGKLAGKDVSSTRCPQRYGLTTVDAILGL,C[C@H](N[C@H](C)C(=O)O)C(=O)O,C[C@H](N[C@H](C)C(=O)O)C(=O)O,C[C@H](N[C@H](C)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9576072870600952,,s_60739e58ddb317a5c595f6fd,test
catpreddb_km_km_df5ea41757e696,catpred_iteration1_km,km,P36537,P36537,MALKWTTVLLIQLSFYFSSGSCGKVLVWAAEYSLWMNMKTILKELVQRGHEVTVLASSASILFDPNDSSTLKLEVYPTSLTKTEFENIIMQLVKRLSEIQKDTFWLPFSQEQEILWAINDIIRNFCKDVVSNKKLMKKLQESRFDIVFADAYLPCGELLAELFNIPFVYSHSFSPGYSFERHSGGFIFPPSYVPVVMSKLSDQMTFMERVKNMLYVLYFDFWFQIFNMKKWDQFYSEVLGRPTTLSETMRKADIWLMRNSWNFKFPHPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGVVVFSLGSMVSNMTEERANVIATALAKIPQKVLWRFDGNKPDALGLNTRLYKWIPQNDLLGHPKTRAFITHGGANGIYEAIYHGIPMVGIPLFFDQPDNIAHMKAKGAAVRVDFNTMSSTDLLNALKTVINDPSYKENIMKLSRIQHDQPVKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWFQYHSLDVIGFLLACVATVLFIITKCCLFCFWKFARKGKKGKRD,CN(C)CCOC(c1ccccc1)c1ccccc1,CN(C)CCOC(c1ccccc1)c1ccccc1,CN(C)CCOC(c1ccccc1)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.431798275933005,,s_3f4ea30f4bd9035b5a50f6df,test
catpreddb_km_km_df6037a3f96f85,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.3502480183341628,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_df6317d6fa542f,catpred_iteration1_km,km,P16330,P16330,MNTSFTRKSHTFLPKLFFRKMSSSGAKEKPELQFPFLQDEDTVATLHECKTLFILRGLPGSGKSTLARLILEKYHDGTKMVSADAYKIIPGSRADFSEAYKRLDEDLAGYCRRDIRVLVLDDTNHERERLDQLFEMADQYQYQVVLVEPKTAWRLDCAQLKEKNQWQLSADDLKKLKPGLEKDFLPLYFGWFLTKKSSETLRKAGQVFLEELGNHKAFKKELRHFISGDEPKEKLELVSYFGKRPPGVLHCTTKFCDYGKAAGAEEYAQQEVVKRSYGKAFKLSISALFVTPKTAGAQVVLTDQELQLWPSDLDKPSASEGLPPGSRAHVTLGCAADVQPVQTGLDLLDILQQVKGGSQGEAVGELPRGKLYSLGKGRWMLSLTKKMEVKAIFTGYYGKGKPVPIHGSRKGGAMQICTII,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OP(=O)(O)O[C@H]21,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OP(=O)(O)O[C@H]21,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2OP(=O)(O)O[C@H]21>>,public_strict_iteration1_fulltrue_msa,,-0.2572748686953017,,s_377174b0ce9ec2748c915a4b,test
catpreddb_km_km_df837ef850b139,catpred_iteration1_km,km,P18297,P18297,MEGGRLGCAVCVLTGASRGFGRALAPQLAGLLSPGSVLLLSARSDSMLRQLKEELCTQQPGLQVVLAAADLGTESGVQQLLSAVRELPRPERLQRLLLINNAGTLGDVSKGFLNINDLAEVNNYWALNLTSMLCLTTGTLNAFSNSPGLSKTVVNISSLCALQPFKGWGLYCAGKAARDMLYQVLAVEEPSVRVLSYAPGPLDTNMQQLARETSMDPELRSRLQKLNSEGELVDCGTSAQKLLSLLQRDTFQSGAHVDFYDI,CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1,CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1,CC(O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>,public_strict_iteration1_fulltrue_msa,,-1.8022256527991365,,s_5d8a48951c6d113a6eb95684,test
catpreddb_km_km_df8401443f8bf6,catpred_iteration1_km,km,P14679,P14679,MLLAVLYCLLWSFQTSAGHFPRACVSSKNLMEKECCPPWSGDRSPCGQLSGRGSCQNILLSNAPLGPQFPFTGVDDRESWPSVFYNRTCQCSGNFMGFNCGNCKFGFWGPNCTERRLLVRRNIFDLSAPEKDKFFAYLTLAKHTISSDYVIPIGTYGQMKNGSTPMFNDINIYDLFVWMHYYVSMDALLGGSEIWRDIDFAHEAPAFLPWHRLFLLRWEQEIQKLTGDENFTIPYWDWRDAEKCDICTDEYMGGQHPTNPNLLSPASFFSSWQIVCSRLEEYNSHQSLCNGTPEGPLRRNPGNHDKSRTPRLPSSADVEFCLSLTQYESGSMDKAANFSFRNTLEGFASPLTGIADASQSSMHNALHIYMNGTMSQVQGSANDPIFLLHHAFVDSIFEQWLRRHRPLQEVYPEANAPIGHNRESYMVPFIPLYRNGDFFISSKDLGYDYSYLQDSDPDSFQDYIKSYLEQASRIWSWLLGAAMVGAVLTALLAGLVSLLCRHKRKQLPEEKQPLLMEKEDYHSLYQSHL,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1,NCCc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,1.2041199826559248,,s_462c157a4444fcbfb9ba57b6,test
catpreddb_km_km_dfa89d4b762adc,catpred_iteration1_km,km,P9WPH3,P9WPH3,MPDVDWNMLRGNATQAAAGAYVPYSRFAVGAAALVDDGRVVTGCNVENVSYGLTLCAECAVVCALHSTGGGRLLALACVDGHGSVLMPCGRCRQVLLEHGGSELLIDHPVRPRRLGDLLPDAFGLDDLPRERR,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,0.0017337128090005,,s_f1eb084b8a8d2f00d2fe360b,test
catpreddb_km_km_dfb3d9628efd9b,catpred_iteration1_km,km,Q21929,Q21929,MPANYDFTDKRILVTGASQGIGKEICLSLAKAGAQVIAFARNEANLLSLVKETTSLRYTIIPIVGDVSANEEVLFKLIVPHFPIHGLVNNAGIATNHAIGQITQQSIDRTFAVNVRGPILIAQLVARNFVDRQIKGSIVNISSQAAIRPLDNHTVYCASKAALDMVTRCLANELGSQNIRVNSVNPTVVMTDMGRDNWSDPDKKKKMLDRMPIKRFAEVDEVVNAVLFLLSDNASMTTGSTLPVDGGFSNN,OCC1(O)OC[C@H](O)[C@@H]1O,OCC1(O)OC[C@H](O)[C@@H]1O,OCC1(O)OC[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_88c15a707a29b1b8455de139,test
catpreddb_km_km_dfb92833209851,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,CC(=O)C(C)O,CC(=O)C(C)O,CC(=O)C(C)O>>,public_strict_iteration1_fulltrue_msa,,2.05307844348342,,s_451a9f71732397357584e474,test
catpreddb_km_km_dfcf2e8ae0b2ca,catpred_iteration1_km,km,P35520,P35520,MPSETPQAEVGPTGCPHRSGPHSAKGSLEKGSPEDKEAKEPLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHEQIQYHSTGKSSQRQMVFGVVTAIDLLNFVAAQERDQK,NC(CCS)C(=O)O,NC(CCS)C(=O)O,NC(CCS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0374916855775577,,s_1e7cf97e465052ebc9f35a7b,test
catpreddb_km_km_dfe87f872fd5b5,catpred_iteration1_km,km,P42269,P42269,MKKVNHWINGKNVAGNDYFLTTNPATGEVLADVASGGEAEINQAVATAKEAFPKWANLPMKERARLMRRLGDLIDQNVPEIAAMETADTGLPIHQTKNVLIPRASHNFEFFAEVCQQMNGKTYPVDDKMLNYTLVQPVGVCALVSPWNVPFMTATWKVAPCLALGITAVLKMSELSPLTADRLGELALEAGIPAGVLNVVQGYGATAGDALVRHHDVRAVSFTGGTATGRNIMKNAGLKKYSMELGGKSPVLIFEDADIERALDAALFTIFSINGERCTAGSRIFIQQSIYPEFVKFAERANRVRVGDPTDPNTQVGALISQQHWEKVSGYIRLGIEEGATLLAGGPDKPSDLPAHLKGGNFLRPTVLADVDNRMRVAQEEIFGPVACLLPFKDEAEALRLANDVEYGLASYIWTQDVSKVLRLARGIEAGMVFVNTQFVRDLRHAFGGVKPRTGREGGGYSSKCSRK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.5563025007672873,,s_6bbf4cce5f4fd9945a70ab48,test
catpreddb_km_km_e037467fabbc17,catpred_iteration1_km,km,Q9SCP7,Q9SCP7,MENESSESRNRARLAIMELANMISVPMSLNAAVRLGIADAIWNGGANSPLSAAEILPRLHLPSHTTIGGDPENLQRILRMLTSYGVFSEHLVGSIERKYSLTDVGKTLVTDSGGLSYAAYVLQHHQEALMRAWPLVHTAVVEPETEPYVKANGEAAYAQYGKSEEMNGLMQKAMSGVSVPFMKAILDGYDGFKSVDILVDVGGSAGDCLRMILQQFPNVREGINFDLPEVVAKAPNIPGVTHVGGDMFQSVPSADAIFMKWVLTTWTDEECKQIMKNCYNALPVGGKLIACEPVLPKETDESHRTRALLEGDIFVMTIYRTKGKHRTEEEFIELGLSAGFPTFRPFYIDYFYTILEFQK,O=C(O)c1cccnc1,O=C(O)c1cccnc1,O=C(O)c1cccnc1>>,public_strict_iteration1_fulltrue_msa,,-1.4122890349810886,,s_7725f2f284e55d185366ddc0,test
catpreddb_km_km_e0458a90c551a1,catpred_iteration1_km,km,P49252,P49252,KFALFSVLTLLSFHAVFSFTPLHTQHPLDPITKEEFLAVQTIVQNKYPISNNKLAFHYIGVDDPEKDLVLKYETSPTLISIPRKIFVVAIINSQTHEILIDLTIKSIVSDNIHNGYGFPVLSAAEQFLAIDLPLKYPPFIASVNKRGLNISEIVCSSFTMGWFGEEKNSRTVRVDCFMKESTVNIYVRPITGITIVADLDLMKIVEYHDRDTEAVPTAENTEYQVSKQSPPFGPKQHSLTSHQPQGPGFQINGTSVSWANWKFHIGFDVRAGIVISLASIYDLEKHKSRRVLYKGYISELFVPYQDPTEEFYFKTFFDSGEFGFGLSTVSLIPNRDCPPHAQFIDTYIHSADGTPIFLENAICVFEQYGNIMWRHTETGIPNESIEESRTEVDLAIRTVVTVGNYDNVLDWEFKTSGWMKPSIALSGILEIKGTNIKHKDEIKEEIHGKLVSANSIGIYHDHFYIYYLDFDIDGTQNSFEKTSLKTVRIVDGGSKRKSYWTTETQTAKTESDAKITIGLAPAELVVVNPNIKTAVGNEVGYRLIPAIPAHPLLTEDDYPQIRGAFTNYNVWVTPYNRTEKWAGGLYVDHSRGDDTLAVWTKKNREIVNKDIVMWHVVGIHHVPAQEDFPIMPLLSTSFELRPTNFFERNPVLKTLPPRDFTWPGCSN,NCCc1ccc(O)cc1,NCCc1ccc(O)cc1,NCCc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1487416512809247,,s_7b85f430e37427f09efb431e,test
catpreddb_km_km_e06cfa76b174d9,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Nc1ccnc2[nH]cnc12,Nc1ccnc2[nH]cnc12,Nc1ccnc2[nH]cnc12>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_e07af15d87f8ad,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)CC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C>>,public_strict_iteration1_fulltrue_msa,,-2.9913998282380825,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_e0982ad09cab48,catpred_iteration1_km,km,Q58378,Q58378,MKVAIVFDSAGTLVKIMRVIKDLKKNKFICNSQTVDIVDKKKGRALVIIKEDPLKVVDKENPEKLISDLLKEVEIGISYCNPPINREGIFKDRKTKVKELQEPLNILKRYEVETGYGSALIIDTYAGEVEYTIATAGCLFKEVKETIKQLKDLGVKVFIASGDRKGFIKRLAEITGVDERYIMAEAHQELKRDLIRNLKKEGYFTIMVGDGANDVPAMIESDLAVVTLQNGNVSRRALETADIKIYNIKEIVDICKKVINGEIKGRMQIKECS,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_3e90bad40cbcd099eea65f6e,test
catpreddb_km_km_e0bd933a6decaf,catpred_iteration1_km,km,Q9NYA1,Q9NYA1,MDPAGGPRGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSKTPASPVVVQQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEAVQGQVHPNYFWMVSGCVEPPPSWKPQQMPPPEEPL,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO>>,public_strict_iteration1_fulltrue_msa,,-1.8068754016455384,,s_1c3f6728fda6bc11484eedf5,test
catpreddb_km_km_e0cd24f3ad9e28,catpred_iteration1_km,km,P50635,P50635,MAGRPGYSEVIFLYVVSVAVIARATDNMPVNKDVSKLFPLTLIHINDLHARFEETNMKSNVCTQKDQCIAGIARVYQKIKDLLKEYESKNPIYLNAGDNFQGTLWYNLLRWNVTADFIKKLKPAAMTLGNHEFDHTPKGLAPYLAELNKEGIPTIVANLVMNNDPDLKSSKIPKSIKLTVGKRKIGIIGVLYDKTHEIAQTGKVTLSNAVEAVRREAAALKKDNIDIIVVLSHCSYEEDKKIAAEAGDDIDVIVGAHSHSFLYSPDSKQPHDPKDKVEGPYPTLVESKNKRKIPIVQAKSFGKYVGRLTLYFDEEGEVKNWEGYPVFIDHKVQQDPQILKDLVPWRAKVEAIGSTVVGETMIELDRDSCRDQECTLGVLYADGFADQYTNDTFRPFAIIQAGNFRNPIKVGKITNGDIIEAAPFGSTADLIRLKGADIWDVAEHSFALDDEGRTNCLQVSGLRIVIDISKPVRSRVKKIEVMDYTNPKSDKLKPLDKEAEYYIVVPSYLADGKDGFSAMKRATARRTGPLDSDVFKNYVEKIKKVDNLKLGRVIVCKGSKCT,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.9030899869919435,,s_e96f30e1fc41bcadeee01604,test
catpreddb_km_km_e0e50ed3efee5a,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,CCCCCCOS(=O)(=O)O,CCCCCCOS(=O)(=O)O,CCCCCCOS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3979400086720375,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_e0efa9c81245fd,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS>>,public_strict_iteration1_fulltrue_msa,,-1.1307682802690238,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_e11d20b7eca8b2,catpred_iteration1_km,km,Q6PQJ9,Q6PQJ9,MSWWWAGAIGAAKKRLEEDDAQPKHSSVALIVGVTGIIGNSLAEILPLADTPGGPWKVYGVARRTRPAWHEDNPINYVQCDISDPDDSQAKLSPLTDVTHVFYVTWANRSTEQENCEANSKMFRNVLDAVIPNCPNLKHISLQTGRKHYMGPFESYGKIESHDPPYTEDLPRLKYMNFYYDLEDIMLEEVEKKEGLTWSVHRPGNIFGFSPYSMMNLVGTLCVYAAICKHEGKVLRFTGCKAAWDGYSDCSDADLIAEHHIWAAVDPYAKNEAFNVSNGDVFKWKHFWKVLAEQFGVGCGEYEEGVDLKLQDLMKGKEPVWEEIVRENGLTPTKLKDVGIWWFGDVILGNECFLDSMNKSKEHGFLGFRNSKNAFISWIDKAKAYKIVP,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,0.2033049161384829,,s_3025df5d8606abb888287682,test
catpreddb_km_km_e1263e16355630,catpred_iteration1_km,km,Q9ZHG9,Q9ZHG9,MADPVNLIPDRHQFPGLANKTYFNFGGQGILPTVALEAITAMYGYLQENGPFSIAANQHIQQLIAQLRQALAETFNVDPNTITITDNVTTGCDIVLWGLDWHQGDEILLTDCEHPGIIAIVQAIAARFGITYRFFPVAATLNQGDAAAVLANHLGPKTRLVILSHLLWNTGQVLPLAEIMAVCRRHQGNYPVRVLVDGAQSAGSLPLDFSRLEVDYYAFTGHKWFAGPAGVGGLYIHGDCLGEINPTYVGWRSITYGAKGEPTGWAEGGKRFEVATSAYPQYAGLLAALQLHQRQGTAEERYQAICQRSEFLWRGLNQLPHVHCLATSAPQAGLVSFTVDSPLGHRAIVQKLEEQRIYLRTIADPDCIRACCHYITDEEEINHLLARLADFGP,CSC[C@H](N)C(=O)O,CSC[C@H](N)C(=O)O,CSC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7558748556724915,,s_e2ad9e6c2c64e0eaf586531b,test
catpreddb_km_km_e12c79353b0b4c,catpred_iteration1_km,km,Q86M89,Q86M89,MVVEPLTLLALAAVATAKNINVEDAIDLEDITAYGYLAKIGKPLADEIRKAEEAEGASRIVGGQASSLGQFPYQAGLLADFSAGQGVCGGSLVRANRVLTAAHCWFDGQNQAWRFTVVLGSIRLFSGGTRVQTSNVVMHGSWNPSNIRNDVAMIRLNSNVGLSNTIALIALPSGSQLNENFAGENAVASGFGRTSDGAGGGITTNQFLSHVTLPVITNAVCRSSFPLIVQDSNICTSGAGGRSTCQGDSGGPLVVTRSGRPLLIGVTSFGSARGCQVGSPAAFARVTSFMSWINGQL,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_da537361b6d2652c6797bef1,test
catpreddb_km_km_e1463281eacaa4,catpred_iteration1_km,km,A0A045IZ15,A0A045IZ15,MAGPLSGLRVVELAGIGPGPHAAMILGDLGADVVRIDRPSSVDGISRDAMLRNRRIVTADLKSDQGLELALKLIAKADVLIEGYRPGVTERLGLGPEECAKVNDRLIYARMTGWGQTGPRSQQAGHDINYISLNGILHAIGRGDERPVPPLNLVGDFGGGSMFLLVGILAALWERQSSGKGQVVDAAMVDGSSVLIQMMWAMRATGMWTDTRGANMLDGGAPYYDTYECADGRYVAVGAIEPQFYAAMLAGLGLDAAELPPQNDRARWPELRALLTEAFASHDRDHWGAVFANSDACVTPVLAFGEVHNEPHIIERNTFYEANGGWQPMPAPRFSRTASSQPRPPAATIDIEAVLTDWDG,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3872161432802643,,s_b09ae7265d5add56137654b3,test
catpreddb_km_km_e14c2be6847298,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCC(O)CC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCC(O)CC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1,CCCC[C@@H](N)C(O)=N[C@@H](CC1CCC(O)CC1)C(O)=N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.4313637641589873,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_e150c2ca7f1817,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_451a9f71732397357584e474,test
catpreddb_km_km_e166fa68c5bbd2,catpred_iteration1_km,km,P42269,P42269,MKKVNHWINGKNVAGNDYFLTTNPATGEVLADVASGGEAEINQAVATAKEAFPKWANLPMKERARLMRRLGDLIDQNVPEIAAMETADTGLPIHQTKNVLIPRASHNFEFFAEVCQQMNGKTYPVDDKMLNYTLVQPVGVCALVSPWNVPFMTATWKVAPCLALGITAVLKMSELSPLTADRLGELALEAGIPAGVLNVVQGYGATAGDALVRHHDVRAVSFTGGTATGRNIMKNAGLKKYSMELGGKSPVLIFEDADIERALDAALFTIFSINGERCTAGSRIFIQQSIYPEFVKFAERANRVRVGDPTDPNTQVGALISQQHWEKVSGYIRLGIEEGATLLAGGPDKPSDLPAHLKGGNFLRPTVLADVDNRMRVAQEEIFGPVACLLPFKDEAEALRLANDVEYGLASYIWTQDVSKVLRLARGIEAGMVFVNTQFVRDLRHAFGGVKPRTGREGGGYSSKCSRK,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_6bbf4cce5f4fd9945a70ab48,test
catpreddb_km_km_e16f3436caceba,catpred_iteration1_km,km,A0A533I0Q4,A0A533I0Q4,MARHLITSALPYINGIKHLGNLVGSQLPADLYARYLRGRGHEVMFICATDEHGTPAELAAAKTGEPVDVYCARMHAEQSKLAAGFGLSFDHYGRSSSAQNRQLTQHFAGKLDQEGLIREVSEKQVYSIDDGRFLPDRYIEGTCPNCGYEKARGDQCENCTKQLDPTDLINPHSTISGSTNLEVRETKHLYLRQSAMKDQIAAWIDSKTDWPVLTTSIAKKWLFDGDGLQDRGITRDLDWGVPVQKGDQPWPGMEGKVFYVWFDAPIEYIGATAEWADANGGDWERWWRTDKGAGDVTYTQFMGKDNVPFHTLGFPTTIMGSGEPWKLVDYIKSFNYLTYDGGQFSTSQGRGVFMDDALSLLPADYWRWWLLSHAPESGDSEFTWENFQQSVNKDLADVLGNFVSRITKFCRSKFGETVPEGGEWGEAERELAAALTARIRAYEAFMDRMEVRKAAGELRAIWVLGNEYLQSAAPWATFKEDPEKAAMQVRLGLNLIALYASLSAPFITFTAATLREAMNSSDTWPDDVDAALTALPPGHAFTVPDNLFAKITDEQREEWTERFKGTRA,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O,CSCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.585026652029182,,s_9dbf85e386cda9fc02f76311,test
catpreddb_km_km_e17fa0ea07752f,catpred_iteration1_km,km,Q9P8H5,Q9P8H5,MKFLGRIGATALAASLYLTSGAAQATGDAYTDSETGIKFQTWSPDPQFTFGLALPPDALEKDATEYIGLLRCTRADPSDPGYCGLSHGQVGQMTQSLLLVAWAYENQVYTSFRYATGYTLPGLYTGNAKLTQLSVNITDTSFELIYRCENCFSWEHEGSTGSSSTSQGYLVLGRASARRGVVGPTCPDTATFGFHDNGFGQWGVGLENAVSEQYSEWASLPGLTVETTCEGSGPGEAQCVPAPEETYDYIVVGAGAGGIPVADKLSEAGHKVLLIEKGPPSTGRWQGTMKPEWLEGTDLTRFDVPGLCNQIWVDSAGIACTDTDQMAGCVLGGGTAVNAGLWWKPIDLDWDENFPEGWHSQDLAAATERVFERIPGTWHPSMDGKLYRDEGYKVLSSGLAESGWKEVVANEVPNEKNRTFAHTHFMFAGGERNGPLATYLVSADARENFSLWTNTAVRRAVRTGGKVTGVELECLTDGGYSGIVKLNEGGGVIFSAGAFGSAKLLFRSGIGPEDQLRVVASSKDGEDFIDEKDWIKLPVGYNLIDHLNTDLILTHPDVVFYDFYEAWTTPIEADKQLYLEQRSGILAQAAPNIGPMMWEQVTPSDGITRQFQWTARVEGDSRFTNSSHAMTLSQYLGRGVVSRGRATITQGLVTTVAEHPYLHNAGDKEAVIQGIKNLIESLNVIPNITWVLPPPGSTVEEYVDSLLVSASARRSNHWMGTAKLGTDDGRYGGTSVVDLDTKVYGTDNLFVVDASIFPGMSTGNPSAMIVIAAEQAAERILKLRK,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.4440447959180762,,s_2d9d8fa53d86f3d1708cab1f,test
catpreddb_km_km_e1cccbf6c0792b,catpred_iteration1_km,km,P53985,P53985,MPPAVGGPVGYTPPDGGWGWAVVIGAFISIGFSYAFPKSITVFFKEIEGIFHATTSEVSWISSIMLAVMYGGGPISSILVNKYGSRIVMIVGGCLSGCGLIAASFCNTVQQLYVCIGVIGGLGLAFNLNPALTMIGKYFYKRRPLANGLAMAGSPVFLCTLAPLNQVFFGIFGWRGSFLILGGLLLNCCVAGALMRPIGPKPTKAGKDKSKASLEKAGKSGVKKDLHDANTDLIGRHPKQEKRSVFQTINQFLDLTLFTHRGFLLYLSGNVIMFFGLFAPLVFLSSYGKSQHYSSEKSAFLLSILAFVDMVARPSMGLVANTKPIRPRIQYFFAASVVANGVCHMLAPLSTTYVGFCVYAGFFGFAFGWLSSVLFETLMDLVGPQRFSSAVGLVTIVECCPVLLGPPLLGRLNDMYGDYKYTYWACGVVLIISGIYLFIGMGINYRLLAKEQKANEQKKESKEEETSIDVAGKPNEVTKAAESPDQKDTDGGPKEEESPV,CC(O)C(=O)O,CC(O)C(=O)O,CC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.7781512503836436,,s_0611bfb309482e20df191481,test
catpreddb_km_km_e1cdaf838c4b5f,catpred_iteration1_km,km,P47820,P47820,MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYNSSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTDQKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESPSFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNYDWWYFSNKIAKLNGYSDAGDSWRSSYESDDLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFIIQFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSASAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS,CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C,CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C,CC(C)C[C@H](N)C(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.7201282911088411,,s_3b2b69fed0c36508bc49125a,test
catpreddb_km_km_e1ce60678d3fbb,catpred_iteration1_km,km,A0A9E6E518,A0A9E6E518,MSEMTLYGYWRSSAAYRVRIALNLKQLPYEQRSIHLVNNGGEQHSVQFQSLNASELVPVLIDGSVRLNQSLAIIDYLDEQYPSYLLTPLETQSRFLVKALAQDIAVDIHPINNLRVLQYLSNELSVDEAQKSRWYRHWINVGFHSLEKKLSETHGAYCVGDEISLVDVCLVPQVYNAERFSVDLDRYPIIQKVTVSLCRHPAFIAAAPENQPDAVAS,O=C(O)/C=C/C=C\C(=O)C(=O)O,O=C(O)/C=C/C=C\C(=O)C(=O)O,O=C(O)/C=C/C=C\C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_d3d474a7bb6454c732e4921f,test
catpreddb_km_km_e1d11eca4909ee,catpred_iteration1_km,km,Q6DWK3,Q6DWK3,MHFSTLFGAAATAALAGSTNASPLARRQVPVGTPILQCTQPGLVALTYDDGPFTFTPQLLDILKQNDVRATFFVNGNNWANIEAGSNPDTIRRMRADGHLVGSHTYAHPDLNTLSSADRISQMRHVEEATRRIDGFAPKYMRAPYLSCDAGCQGDLGGLGYHIIDTNLDTKDYENNKPETTHLSAEKFNNELSADVGANSYIVLSHDVHEQTVVSLTQKLIDTLKSKGYRAVTVGECLGDAPENWYKA,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N=C(C)O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.3621602822336806,,s_79bbfa936805739982cc4c70,test
catpreddb_km_km_e2206e79814984,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,OC1C=CC=CC1O,OC1C=CC=CC1O,OC1C=CC=CC1O>>,public_strict_iteration1_fulltrue_msa,,-1.0899088609273822,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_e27ee1255fe038,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,Nc1ccc(C(=O)NCC(=O)O)cc1,Nc1ccc(C(=O)NCC(=O)O)cc1,Nc1ccc(C(=O)NCC(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.414973347970818,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_e284786bb80276,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)CN=C(O)CN=C(O)c1ccccc1,O=C(O)CN=C(O)CN=C(O)CN=C(O)c1ccccc1,O=C(O)CN=C(O)CN=C(O)CN=C(O)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.5086383061657274,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_e29a21d352f245,catpred_iteration1_km,km,Q9Y763,Q9Y763,MPKVAIIIYSMYGHIAKLAEAEKAGIEEAGGSATIYQIPETLPEEVLAKMHAPPKPEYPVITPEKLPEFDAFVFGIPTRYGNFPGQWKAFWDATGGLWAQGALAGKYASVFVSTGTPGGGQESTVLNSISTLTHHGIVFVPLGYSTTFAQLANLSEVRGGSPWGAGTFAGADGSRSPSALELELATAQGKYFWNIIKKVAF,COC1=CC(=O)C=C(OC)C1=O,COC1=CC(=O)C=C(OC)C1=O,COC1=CC(=O)C=C(OC)C1=O>>,public_strict_iteration1_fulltrue_msa,,-2.130768280269024,,s_4f56abeea44c19a4fc4ca90b,test
catpreddb_km_km_e2bd7713b77900,catpred_iteration1_km,km,S5TMG0,S5TMG0,MAGTEVTNRQILFKNFVVGWPQESDMEFVTTKKKLELREGQKDVIVRVLYLSCDPCQRGRMRNSTDSYIPPYTPGKPIEGYGLGKVILSSDPAFNEGDIVSGLMGWEDYSYGFRLVKIDDLALPISYYLGALGMAGFTAYVGFFRICEPKKGDTIYVSAASGAVGQMVGQFAKLFGCRVVGSAGSQQKVDLLTSKFGYDEAFNYKEEPDLDAALKRCCPDGIDIYFENVGGKMLDAVLVNMKVFGRIAVCGMVSQYNKEVQDPIYNLNYTVKRRLKIHGFLQSDHMDVQPEFFKNVIQWFKEGKLVYVEDIADGLEKGPAALIGLLAGKNVGKQSVKVADP,O=C/C=C/c1ccc(O)c(O)c1,O=C/C=C/c1ccc(O)c(O)c1,O=C/C=C/c1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6548223834572959,,s_08cbf502c176a7783bac2948,test
catpreddb_km_km_e2dfa26d466edd,catpred_iteration1_km,km,Q12737,Q12737,MFKHTLGAAALSLLFNSNAVQASPVPETSPATGHLFKRVAQISPQYPMFTVPLPIPPVKQPRLTVTNPVNGQEIWYYEVEIKPFTHQVYPDLGSADLVGYDGMSPGPTFQVPRGVETVVRFINNAEAPNSVHLHGSFSRAAFDGWAEDITEPGSFKDYYYPNRQSARTLWYHDHAMHITAENAYRGQAGLYMLTDPAEDALNLPSGYGEFDIPMILTSKQYTANGNLVTTNGELNSFWGDVIHVNGQPWPFKNVEPRKYRFRFLDAAVSRSFGLYFADTDAIDTRLPFKVIASDSGLLEHPADTSLLYISMAERYEVVFDFSDYAGKTIELRNLGGSIGGIGTDTDYDNTDKVMRFVVADDTTQPDTSVVPANLRDVPFPSPTTNTPRQFRFGRTGPTWTINGVAFADVQNRLLANVPVGTVERWELINAGNGWTHPIHIHLVDFKVISRTSGNNARTVMPYESGLKDVVWLGRRETVVVEAHYAPFPGVYMFHCHNLIHEDHDMMAAFNATVLPDYGYNATVFVDPMEELWQARPYELGEFQAQSGQFSVQAVTERIQTMAEYRPYAAADE,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21,CCn1/c(=N/N=c2\sc3cc(S(=O)(=O)O)ccc3n2CC)sc2cc(S(=O)(=O)O)ccc21>>,public_strict_iteration1_fulltrue_msa,,-0.7299224940016386,,s_e0e1f6dd377d394c3f83ac62,test
catpreddb_km_km_e2e3ff7870ce2e,catpred_iteration1_km,km,O09175,O09175,MESSGPSSCHSAARRPLHSAQAVDVASASSFRAFEILHLHLDLRAEFGPPGPGPGSRGLNGKATLELRCLLPEGASELRLDSHSCLEVMAATLLRGQPGDQQQLTEPVPFHTQPFSHYGQALCVVFPKPCCAAERFRLELTYRVGEGPGVCWLAPEQTAGKKKPFVYTQGQAVLNRAFFPCFDTPAVKCTYSALVEVPDGFTAVMSASTWERRGPNKFFFQMSQPIPSYLIALAIGDLASAEVGPRSRVWAEPCLIEAAKEEYNGVIEEFLATGEKLFGPYVWGRYDLLFMPPSFPFGGMENPCLTFVTPCLLAGDRSLADVIIHEISHSWFGNLVTNANWGEFWLNEGFTMYAQRRISTILFGAAYTCLEAATGRALLRQHMDVSGEENPLNKLRVKIEPGVDPDDTYNETPYEKGYCFVSYLAHLVGDQEQFDKFLKAYVDEFKFQSILAEDFLEFYLEYFPELKKKGVDSIPGFEFNRWLNTPGWPPYLPDLSPGDSLMKPAEELAELWAASEPDMQAIEAVAISTWKTYQLVYFLDKILQKSPLPPGNVKKLGETYPKISNAQNAELRLRWGQIILKNDHQEEFWKVKDFLQSQGKQKYTLPLYHAMMGGSEMARTLAKETFSATASQLHSNVVNYVQQILAPKGS,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1,N=C(N)NCCC[C@H](N)C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-2.0167029824957825,,s_5811fb8b63759c84f77b2b0b,test
catpreddb_km_km_e2f9b38a5ddd9a,catpred_iteration1_km,km,Q82IY9,Q82IY9,MHLQPSTAVVTGAASGIGFALSARLAQAGARVVMTDIAGDGLAGAVEELAAHGADVTAVVADLTDPAAVQELADTAFGRLGDIDVVCNNAGVVGPVGMPLWSVPLDEMHAVFDVNYWAHVHVARAFVPRLLDSGRPSHLVQTASMSAFVVGAGTASYAASKHADLAAARSLRADLDGTPVRVSVLCPGRVDTPMTRGLVAPRNATGNTTISADEAADAVWNALGSDRFYIFTNADAQTRLGDQFNDVWRHLAREKYWTESSSPSVNSSRP,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_5373a2227c41c71e92fa3489,test
catpreddb_km_km_e2fa91031f6445,catpred_iteration1_km,km,P00883,P00883,MPHSHPALTPEQKKELSDIAHRIVAPGKGILAADESTGSIAKRLQSIGTENTEENRRFYRQLLLTADDRVNPCIGGVILFHETLYQKADDGRPFPQVIKSKGGVVGIKVDKGVVPLAGTNGETTTQGLDGLSERCAQYKKDGADFAKWRCVLKIGEHTPSALAIMENANVLARYASICQQNGIVPIVEPEILPDGDHDLKRCQYVTEKVLAAVYKALSDHHIYLEGTLLKPNMVTPGHACTQKYSHEEIAMATVTALRRTVPPAVTGVTFLSGGQSEEEASINLNAINKCPLLKPWALTFSYGRALQASALKAWGGKKENLKAAQEEYVKRALANSLACQGKYTPSGQAGAAASESLFISNHAY,O=CC(O)C(O)C(O)COP(=O)(O)O,O=CC(O)C(O)C(O)COP(=O)(O)O,O=CC(O)C(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,1.3979400086720375,,s_c914da2418e4f7c204592eba,test
catpreddb_km_km_e2faf0ceda579d,catpred_iteration1_km,km,O68641,O68641,MDLARHRSLTPPRTPTGRRPRARRRLASALVAALTAAAAALAVTVAATSAAAAPGDLLWSDEFDGAAGSAPNPAVWNHETGAHGWGNAELQNYTASRANSALDGQGNLVITARREGDGSYTSARMTTQGKYQPQYGRIEARIQIPRGQGIWPAFWMLGGSFPGTPWPSSGEIDIMENVGFEPHRVHGTVHGPGYSGGSGITGMYQHPQGWSFADTFHTFAVDWKPGEITWFVDGQQFHRVTRASVGANAWVFDQPFFLILNVAVGGQWPGYPDGTTQLPQQMKVDYVRVYDNGSGSSSPGNPGTGLPTGTGAVRAANGMCVDVPWADPTDGNPVQIVTCSGNAAQTWTRGSDGTVRALGKCLDVRDGSTTRGAAVQVWTCNGTGAQKWAYDAGSKALRNPQSGLCLDATGGAPLRDGQRLQTWTCNGTTAQQWTL,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3872161432802645,,s_b55bdc8e57e9036862530e32,test
catpreddb_km_km_e2fbebc4b3f362,catpred_iteration1_km,km,Q6VVP7,Q6VVP7,MTKIALIGSGQIGAIVGELCLLENLGDLILYDVVPGIPQGKALDLKHFSTILGVNRNILGTNQIEDIKDADIIVITAGVQRKEGMTREDLIGVNGKIMKSVAESVKLHCSKAFVICVSNPLDIMVNVFHKFSNLPHEKICGMAGILDTSRYCSLIADKLKVSAEDVNAVILGGHGDLMVPLQRYTSVNGVPLSEFVKKNMISQNEIQEIIQKTRNMGAEIIKLAKASAAFAPAAAITKMIKSYLYNENNLFTCAVYLNGHYNCSNLFVGSTAKINNKGAHPVEFPLTKEEQDLYTESIASVQSNTQKAFDLIK,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,CC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_38b639e09e6ad79b3515ff01,test
catpreddb_km_km_e30473b6488313,catpred_iteration1_km,km,Q9JM15,Q9JM15,MMHFKSGLELTELQNMTVPEDDNVSNDSNDFTEVENGQINSKFISDRESRRSLTNSHLEKRKCDEYIPGTTSLGMSVFNLSNAIMGSGILGLAFALANTGILLFLILLTSVTLLSIYSINLLLICSKETGCMVYEKLGEQVFGTTGKLVIFGATSLQNTGAMLSYLFIVKNELPSAIKSLMGEEETFSAWYVDGRVLVVMVTFGIILPLCLLKNLGYLGYTSGFSLSCMVFFLIVVIYKKFQIPCMNGEQNSTVSANVTDACTPKYVTFNSKTVYALPTIAFAFVCHPSVLPIYSELKDRSQKKMQMVSNISFFAMFVMYFLTAIFGYLTFYEKVQSDLLHKYQSTGDILILTVRLAVIVAVILTVPVLFFTVRSSLFELAKKTKFHLCRHVLVTIILLVIINLLVIFIPSMKDIFGVVGVTSANMLIFILPSSLYLKITNQDGDKNTQRIWAALFLALGVLFSLISIPLVIYDWACSSSNGEGH,NC(=O)CCC(N)C(=O)O,NC(=O)CCC(N)C(=O)O,NC(=O)CCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2728840781132456,,s_fa0bdb3cb53ab21d3493c9b1,test
catpreddb_km_km_e30bdab9991485,catpred_iteration1_km,km,O66548,O66548,MKKEFSAGGVLFKDGEVLLIKTPSNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTLKGERIFKTVKYYLMKYKEGEPRPSWEVKDAKFFPIKEAKKLLKYKGDKEIFEKALKLKEKFKL,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.7375489102695706,,s_029fee419a480a1fbf8f2568,test
catpreddb_km_km_e318678bf4a830,catpred_iteration1_km,km,Q60GK5,Q60GK5,MTIDLYYVPGSAPCRAVLLTAKALNLNLNLKLVDLHHGEQLKPEYLKLNPQHTVPTLVDDGLSIWESRAIITYLVNKYAKGSSLYPEDPKARALVDQRLYFDIGTLYQRFSDYFYPQVFAGAPADKAKNEKVQEALQLLDKFLEGQKYVAGPNLTVADLSLIASVSSLEASDIDFKKYANVKRWYETVKSTAPGYQEANEKGLEAFKGLVNSMLKK,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,-0.3187587626244128,,s_e62f0222fc13faae897a1b82,test
catpreddb_km_km_e319e4f8e6bc78,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_e32629bf240eb1,catpred_iteration1_km,km,Q0KEY8,Q0KEY8,MSIRTVGIVGAGTMGNGIAQACAVVGLNVVMVDISDAAVQKGVATVASSLDRLIKKEKLTEADKASALARIKGSTSYDDLKATDIVIEAATENYDLKVKILKQIDGIVGENVIIASNTSSISITKLAAVTSRADRFIGMHFFNPVPVMALVELIRGLQTSDTTHAAVEALSKQLGKYPITVKNSPGFVVNRILCPMINEAFCVLGEGLASPEEIDEGMKLGCNHPIGPLALADMIGLDTMLAVMEVLYTEFADPKYRPAMLMREMVAAGYLGRKTGRGVYVYSK,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.7387371312075066,,s_17e7e804ab80040a3da23c92,test
catpreddb_km_km_e35e0c3e953ee4,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,1.5831987739686226,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_e35f52249445a1,catpred_iteration1_km,km,J9XQS6,J9XQS6,MPSLRPVVIVGGGGQMGRLFEKMLTLSGYQVRILEQHDWDRAADIVADAGMVIVSVPIHVTEQVIGKLPPLPKDCILVDLASVKEFVARVLAEALPGVAVIPAHPVAGTERSGPDSGFASLFRNRWCIITPPADADPAKLEALSALWQTLGAKVEIMDARHHDMVLAVTSHLPHLIAYTIVGTASDLEGVTESEVIKYSAGGFRDFTRIAASDPTMWRDVFLSNRDAVLDMLQRFTEDLTALQKAIRVGDGQQLFDHFTRTRAIRRSIIELGQDDDRPDFGRSDHGG,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1,O=C(O)C(=O)C[C@]1(C(=O)O)C=C[C@@H](O)C=C1>>,public_strict_iteration1_fulltrue_msa,,-0.0604807473813814,,s_72bfd3cbda2a9cbbfac3b248,test
catpreddb_km_km_e368d1d208fe08,catpred_iteration1_km,km,P05793,P05793,MANYFNTLNLRQQLAQLGKCRFMGRDEFADGASYLQGKKVVIVGCGAQGLNQGLNMRDSGLDISYALRKEAIAEKRASWRKATENGFKVGTYEELIPQADLVINLTPDKQHSDVVRTVQPLMKDGAALGYSHGFNIVEVGEQIRKDITVVMVAPKCPGTEVREEYKRGFGVPTLIAVHPENDPKGEGMAIAKAWAAATGGHRAGVLESSFVAEVKSDLMGEQTILCGMLQAGSLLCFDKLVEEGTDPAYAEKLIQFGWETITEALKQGGITLMMDRLSNPAKLRAYALSEQLKEIMAPLFQKHMDDIISGEFSSGMMADWANDDKKLLTWREETGKTAFETAPQYEGKIGEQEYFDKGVLMIAMVKAGVELAFETMVDSGIIEESAYYESLHELPLIANTIARKRLYEMNVVISDTAEYGNYLFSYACVPLLKPFMAELQPGDLGKAIPEGAVDNGQLRDVNEAIRSHAIEQVGKKLRGYMTDMKRIAVAG,[Mg+2],[Mg+2],[Mg+2]>>,public_strict_iteration1_fulltrue_msa,,-0.2285748429089941,,s_68ceea3afb7362d1e08d9acc,test
catpreddb_km_km_e36e2a4d248c65,catpred_iteration1_km,km,Q8LPL2,Q8LPL2,MENPPDQTESKETLQQPITRRRTKGGLLTMPFIIANEGFEKVASYGLLQNMILYLMSDYRLGLVKGQTVLFMWVAATNFMPLVGAFLSDSYLGRFLTIVIASLSSLLGMVVLWLTAMLPQVKPSPCVATAGTNCSSATSSQLALLYTAFALISIGSGGIRPCSLAFGADQLDNKENPKNERVLESFFGWYYASSSVAVLIAFTVIVYIQDHLGWKIGFGIPAILMLLAGFLFVFASPLYVKRDVSKSLFTGLAQVVAAAYVKRNLTLPDHHDSRDCYYRLKDSELKAPSDKLRFLNKACAISNRDEDLGSDGLALNQWRLCTTDQVEKLKALVKVIPVWSTGIMMSINVSQNSFQLLQAKSMDRRLSSNSTFQIPAGSFGMFTIIALISWVVLYDRAILPLASKIRGRPVRVNVKIRMGLGLFISFLAMAVSATVEHYRRKTAISQGLANDANSTVSISAMWLVPQYVLHGLAEALTGIGQTEFFYTEFPKSMSSIAASLFGLGMAVANILASVILNAVKNSSKQGNVSWIEDNINKGHYDYYYWVLAILSFVNVIYYVVCSWSYGPTVDQVRNDKVNGMRKEEEEVIKLN,O=[N+]([O-])O,O=[N+]([O-])O,O=[N+]([O-])O>>,public_strict_iteration1_fulltrue_msa,,0.9637878273455552,,s_649ea5247a5c481dc41e4f24,test
catpreddb_km_km_e39cd68aeaf161,catpred_iteration1_km,km,E2JA31,E2JA31,MSILNNKEVIVIIDAWSGGKHLIPAFQALGYFCLHVQSTFLPEVFIADNQLAIARSDRHIVHDGNIETLLSQLQPYTIKAILAGSEGAVGLADCLNDALELTFSNQFELSAARRNKYLMQEQLALKGVASINQQLAGHSDELKQWLAGHAHWPVVLKPIQSAGTDGVFICHDLAQALQAFEAILAKKDFFGSPNREVLCQEFLAGEEFVVNGIACQGEYFFTELWQSKKQQRNGFPVYETQYLHYQNDAGFDVLTAYTVQVCQTLGINNGAFHAEVMMTSGGPVLIEIGARVAGGADPYIIEECLGHSQISKLAQAVLHPAKFLQECRRQHDFSGHRRAAYVYMISPSPGRVQVSPEEKFIKIDGVISINYHYAPGDIQQETCDLLSSPGVIIAIRDNPALLKQTIAEIRDVEADFYHLGLIDE,CC[C@H](C)[C@H](N)C(=O)O,CC[C@H](C)[C@H](N)C(=O)O,CC[C@H](C)[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0809219076239261,,s_dd231b207901506b1bef7a84,test
catpreddb_km_km_e3b2b5a7550956,catpred_iteration1_km,km,H9AZ21,H9AZ21,MSVATVEPPKPELSPPQNQNAPSSHETDHIFRSKLPDITISNHLPLHAYCFENLSDFSDRPCLISGSTGKTYSFAETHLISRKVAAGLSNLGIKKGDVIMTLLQNCPEFVFSFMGASMIGAVTTTANPFYTQSEIFKQFSASRAKLIITQSQYVNKLGDSDCHENNQKPGEDFIVITIDDPPENCRHFNVLVEANESEMPTISILPDDPVALPFSSGTTGLPKGVILTHKSLITSVAQQVDGEIPNLYLKQDDVVLCVLPLFHIFSLNSVLLCSLRAGSAVLLMQKFEIGSLLELIQKHNVSVAAVVPPLVLALAKNPLVANFDLSSIRVVLSGAAPLGKELEDALRSRVPQAILGQGYGMTEAGPVLSMCLAFSKQPFPTKSGSCGTVVRNAELKVIDPETGGSLGYNQPGEICIRGSQIMKGYLNDAEATANTIDVEGWLHTGDIGYVDDDDEIFIVDRVKEIIKFKGFQVPPAELEALLVNHPSIADAAVVPQKDEVAGEVPVAFVVRSDDLDLSEEAVKDYIAKQVVFYKKLHKVFFVHSIPKSASGKILRKDLRAKLATSTTMS,O=C(O)/C=C/c1ccccc1,O=C(O)/C=C/c1ccccc1,O=C(O)/C=C/c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.7066595473513041,,s_0d11e9c2176a36b04c2bb3a5,test
catpreddb_km_km_e3b5dd7dc2e601,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=P(O)(O)OCC1OC(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3424226808222063,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_e3bbd86e4694cd,catpred_iteration1_km,km,Q99714,Q99714,MAAACRSVKGLVAVITGGASGLGLATAERLVGQGASAVLLDLPNSGGEAQAKKLGNNCVFAPADVTSEKDVQTALALAKGKFGRVDVAVNCAGIAVASKTYNLKKGQTHTLEDFQRVLDVNLMGTFNVIRLVAGEMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVMTIAPGLFGTPLLTSLPEKVCNFLASQVPFPSRLGDPAEYAHLVQAIIENPFLNGEVIRLDGAIRMQP,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_37892504ee980fd328015aac,test
catpreddb_km_km_e3c0031b619478,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,O=C(N=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(O)n1)c1ccccc1,O=C(N=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(O)n1)c1ccccc1,O=C(N=c1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c(O)n1)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.7075701760979364,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_e3d725c80ef9c7,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)CN=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_e3dd55585c65ee,catpred_iteration1_km,km,Q9KQ59,Q9KQ59,MFKSQTAILPEAGPFALYTLLKVRQNHAHVLQALKALPALVEEINQNQPGAELTVSVAFSKGFWSHFEMASPPELIDFPELGEGETHAPSTDVDVLIHCHATRHDLLFYTLRKGISDIAQDIEIVDETYGFRYLDARDMTGFIDGTENPKAEKRAEVALVADGDFAGGSYVMVQRFVHNLPAWNRLNLAAQEKVIGRTKPDSVELENVPAASHVGRVDIKEEGKGLKIVRHSLPYGSVSGDHGLLFIAYCHTLHNFKTMLESMYGVTDGKTDQLLRFTKAVTGAYFFAPSQVMLQELTLKNQ,Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+],Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(S(=O)(=O)CCOS(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_3cbca65e461c0a174ffca49a,test
catpreddb_km_km_e3f50edb22c5e7,catpred_iteration1_km,km,Q5W5U3,Q5W5U3,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDETLLDIMNRFKKEMKNGLSRDFNPTATVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEQNQAVHMESEVYDTPENIMHGSGSQLFDHVAECLGDFMEKKKIKDKKLPVGFTFSFPCRQSRIDEAILITWTKRFKASGVEGTDVVKLLDKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCVNTEWGAFGDDGALEDIRTEFDREIDRGSLNPGKQLFEKMVSGMYLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSDDDCVAVQHVCTIVSFRSANLVAATLGAILSRLRDNKGTPRLRTTVGVDGSLYKTHPQYSRRFHKTLRRLVPDCDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFSLTKEMLLEVKKRMRAEMELGLGKQTHDKAVVKMLPSFVRSTPDGTENGDFLALDLGGTNFRVLLVKIRSGKKRSVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPKMPLGFTFSFPCKQTSLDAGILITWTKGFKATDCVGHDVATLLREAIKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVETLEGNQGQMCINMEWGAFGDNGCLDDIRTIYDKLVDEFSLNSGKQRYEKMISGMYLGEIVRNILIDFAKRGFLFRGQISEPLKTRGLFQTKYLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRQEMSS,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.235284822816507,,s_94ac160468692e982a2febec,test
catpreddb_km_km_e3fd3123c79522,catpred_iteration1_km,km,Q88GW5,Q88GW5,MPEILGHNFIAGQRSAAGPQRLQSLDASTGEALPYSFAQATEAEVDKAAKAAAAAFADFRQLAPARRAEFLDAIAAELDELDDAFVAIVCRETALPAARIQGERGRTSGQMRLFAQVLRRGDFLGARIDLALPERQPLPRVDLRQMRIGVGPVAVFGASNFPLAFSTAGGDTAAALAAGCPVVFKAHSGHMATADLVACAIVRAAERTGMPKGVFNMVFGGGVGEWLVKHPAIQAVGFTGSLKGGDALCRMAAERPQPIPVFAEMSSINPVIILPGALAKRGEAIARELAGSVCMGAGQFCTNPGLVIGLQSPQYSQLLADLGQYLDQQAGQTMLNAGGLHSYVGGLEHLHAHAGIEHVAGQVQEGNQARAQLFKADARLLVESDPLLQEEVFGPTTVAVEVQDNDQLRDALLGLRGQLTATLIGEAEDFDAFAWLVPLLEEKVGRILVNGYPTGVEVCDAMVHGGPYPATSDARGTSVGTLAIDRFLRPVCYQNYPQTLLPEALRDGNPLGLRRLVNGQWSDGAI,O=CCCC(=O)C(=O)O,O=CCCC(=O)C(=O)O,O=CCCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_8459db29a7fcce2de085564f,test
catpreddb_km_km_e40c65c0a9ad06,catpred_iteration1_km,km,P20582,P20582,MGNPILAGLGFSLPKRQVSNHDLVGRINTSDEFIVERTGVRTRYHVEPEQAVSALMVPAARQAIEAAGLLPEDIDLLLVNTLSPDHHDPSQACLIQPLLGLRHIPVLDIRAQCSGLLYGLQMARGQILAGLARHVLVVCGEVLSKRMDCSDRGRNLSILLGDGAGAVVVSAGESLEDGLLDLRLGADGNYFDLLMTAAPGSASPTFLDENVLREGGGEFLMRGRPMFEHASQTLVRIAGEMLAAHELTLDDIDHVICHQPNLRILDAVQEQLGIPQHKFAVTVDRLGNMASASTPVTLAMFWPDIQPGQRVLVLTYGSGATWGAALYRKPEEVNRPC,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.9829666607012196,,s_6a1c104bccddecf5e299e61e,test
catpreddb_km_km_e40e1415c4381b,catpred_iteration1_km,km,Q81WN7,Q81WN7,MIDFGTIATAMVTPFDINGNIDFAKTTKLVNYLIDNGTTAIVVGGTTGESPTLTSEEKVALYRHVVSVVDKRVPVIAGTGSNNTHASIDLTKKATEVGVDAVMLVAPYYNKPSQEGMYQHFKAIAESTPLPVMLYNVPGRSIVQISVDTVVRLSEIENIVAIKDAGGDVLTMTEIIEKTADDFAVYSGDDGLTLPAMAVGAKGIVSVASHVIGNEMQEMIAAFQAGEFKKAQKLHQLLVRVTDSLFMAPSPTPVKTALQMVGLDVGSVRLPLLPLTEEERVTLQSVMQSIPR,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O,N[C@@H](CC=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_62885fe6ef2b330e6b8415a4,test
catpreddb_km_km_e4110045dc5b5f,catpred_iteration1_km,km,A8Q3I7,A8Q3I7,MLQEIGAWPVWQQALTFLVGGLALIVGINVLVQVLVPRNKSLPPMVFHWVPVVGSAITYGMDPYRFFFNCREKYGDVFTFKLFGRNVTVALGPKGSNLVFNGRLTQVSAEEAYTSLTTPVFGKGVVYDVPNAVLMEQKRFVKSGLSMENFRMYVTQIESEVKDFINNDAAFLPLQKGATSVTVDIFNVFSEITILTASRTLQGKEVRESLDKTFAKLYHDLDSGFTPINFVIPNLPLPNNFRRDRAQRLMSDFYLGIIKKRREGNTEGTEHDMISALMEQSYKNGRNINDREIAHMMIALLMAGQHTSSATGSWAMLRLASRPEIIEELYEEQKRVYSDGTGGFAPLDYDIQKSSVPVLDAVIRETLRLHPPIHSIMRKVKSDMVVPPTLAAPISSKGSRDETYVIPKGHYVIAAPGVSQVDPKIWEDASRFDPHRWLGDKANVMNQTDDAQEDFGWGMVSTGANSPYLPFGAGRHRCIGEQFAYLQLGTIISTFVRAFDWRLETKLPAPDYTSMVVLPTQPANLVFTPRKNKA,C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C,C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C,C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.2525881921135766,,s_f75b3d4434514f1803ffdf0f,test
catpreddb_km_km_e41c7630d23b3d,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0915149811213502,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_e42ae506475919,catpred_iteration1_km,km,C3SBW0,C3SBW0,METKQTKKEAVANLIKRIEHGEVSDEEIRGMMKIQVQKRLKWGYKPTHEQQLAQLVTFAQSLKGMEMAEEVDTLDAELYEIPLPFLHIMCGKTLKFSPGYFKDESTTLDESEVYMMDLYCERAQIKDGQSILDLGCGHGSLTLHVAQKYRGCKVTGITNSVSQKEFIMDQCKKLDLSNVEIILEDVTKFETEITYDRIFAVALIEHMKNYELFLKKVSTWIAQYGLLFVEHHCHKVFAYQYEPLDEDDWYTEYIFPSGTLVMSSSSILLYFQEDVSVVNHWTLSGKHPSLGFKQWLKRLDDNIDEVKEIFESFYGSKEKAMKFITYWRVFCIAHSQMYSTNNGEEWMLSQVLFKKK,COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1,COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1,COc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)N1>>,public_strict_iteration1_fulltrue_msa,,-1.3279021420642825,,s_7a870cc35d7e02400d67e657,test
catpreddb_km_km_e42f314d7e6041,catpred_iteration1_km,km,P08196,P08196,MSVALLWVVSPCDVSNGTSFMESVREGNRFFDSSRHRNLVSNERINRGGGKQTNNGRKFSVRSAILATPSGERTMTSEQMVYDVVLRQAALVKRQLRSTNELEVKPDIPIPGNLGLLSEAYDRCGEVCAEYAKTFNLGTMLMTPERRRAIWAIYVWCRRTDELVDGPNASYITPAALDRWENRLEDVFNGRPFDMLDGALSDTVSNFPVDIQPFRDMIEGMRMDLRKSRYKNFDELYLYCYYVAGTVGLMSVPIMGIAPESKATTESVYNAALALGIANQLTNILRDVGEDARRGRVYLPQDELAQAGLSDEDIFAGRVTDKWRIFMKKQIHRARKFFDEAEKGVTELSSASRFPVWASLVLYRKILDEIEANDYNNFTKRAYVSKSKKLIALPIAYAKSLVPPTKTASLQR,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_240848fefb718834b0fff4cc,test
catpreddb_km_km_e42fed98507c61,catpred_iteration1_km,km,P33221,P33221,MTLLGTALRPAATRVMLLGSGELGKEVAIECQRLGVEVIAVDRYADAPAMHVAHRSHVINMLDGDALRRVVELEKPHYIVPEIEAIATDMLIQLEEEGLNVVPCARATKLTMNREGIRRLAAEELQLPTSTYRFADSESLFREAVADIGYPCIVKPVMSSSGKGQTFIRSAEQLAQAWKYAQQGGRAGAGRVIVEGVVKFDFEITLLTVSAVDGVHFCAPVGHRQEDGDYRESWQPQQMSPLALERAQEIARKVVLALGGYGLFGVELFVCGDEVIFSEVSPRPHDTGMVTLISQDLSEFALHVRAFLGLPVGGIRQYGPAASAVILPQLTSQNVTFDNVQNAVGADLQIRLFGKPEIDGSRRLGVALATAESVVDAIERAKHAAGQVKVQG,O=COP(=O)(O)O,O=COP(=O)(O)O,O=COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_2925763e116557ae8a1c8b26,test
catpreddb_km_km_e43d777e1e1d7b,catpred_iteration1_km,km,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1,O=C1C=CC(=Nc2cc(Cl)c(O)c(Cl)c2)C=C1>>,public_strict_iteration1_fulltrue_msa,,-1.1079053973095196,,s_d45caf713d065ae4220c2800,test
catpreddb_km_km_e43ed059af139d,catpred_iteration1_km,km,D3U1D9,D3U1D9,MATSKVVFITGATSGFGEAAAQVFADAGWSLVLSGRRFERLKTLQDKLASQVPVHIIELDVRDSDSVAAAVAALPADFADITTLINNAGLALSPQPAQKVDLDDWKTMIDTNVTGLVNVTHALLPTLINHGAGASIINIGSIAGQWPYPGSHVYGASKAFVKQFSYNLRCDLLGTGVRVTDLAPGIAETEFTLVRTKGDQAASDNLYRGTTPLSARDIAEQMFYIATLPDHMNINRVEVMPVRQAWQPFAIDRD,O=S(=O)(O)CCO,O=S(=O)(O)CCO,O=S(=O)(O)CCO>>,public_strict_iteration1_fulltrue_msa,,1.7058637122839193,,s_1ae383681c8af3a9ffe32f8e,test
catpreddb_km_km_e452536eb510e2,catpred_iteration1_km,km,Q05329,Q05329,MASPGSGFWSFGSEDGSGDSENPGTARAWCQVAQKFTGGIGNKLCALLYGDAEKPAESGGSQPPRAAARKAACACDQKPCSCSKVDVNYAFLHATDLLPACDGERPTLAFLQDVMNILLQYVVKSFDRSTKVIDFHYPNELLQEYNWELADQPQNLEEILMHCQTTLKYAIKTGHPRYFNQLSTGLDMVGLAADWLTSTANTNMFTYEIAPVFVLLEYVTLKKMREIIGWPGGSGDGIFSPGGAISNMYAMMIARFKMFPEVKEKGMAALPRLIAFTSEHSHFSLKKGAAALGIGTDSVILIKCDERGKMIPSDLERRILEAKQKGFVPFLVSATAGTTVYGAFDPLLAVADICKKYKIWMHVDAAWGGGLLMSRKHKWKLSGVERANSVTWNPHKMMGVPLQCSALLVREEGLMQNCNQMHASYLFQQDKHYDLSYDTGDKALQCGRHVDVFKLWLMWRAKGTTGFEAHVDKCLELAEYLYNIIKNREGYEMVFDGKPQHTNVCFWYIPPSLRTLEDNEERMSRLSKVAPVIKARMMEYGTTMVSYQPLGDKVNFFRMVISNPAATHQDIDFLIEEIERLGQDL,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.6675615400843946,,s_722c1ac8704c29ff8f1c449e,test
catpreddb_km_km_e4528dcbb55415,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_e452b153d150e3,catpred_iteration1_km,km,Q7MUW6,Q7MUW6,MKKTIFQQLFLSVCALTVALPCSAQSPETSGKEFTLEQLMPGGKEFYNFYPEYVVGLQWMGDNYVFIEGDDLVFNKANGKSAQTTRFSAADLNALMPEGCKFQTTDAFPSFRTLDAGRGLVVLFTQGGLVGFDMLARKVTYLFDTNEETASLDFSPVGDRVAYVRNHNLYIARGGKLGEGMSRAIAVTIDGTETLVYGQAVHQREFGIEKGTFWSPKGSCLAFYRMDQSMVKPTPIVDYHPLEAESKPLYYPMAGTPSHHVTVGIYHLATGKTVYLQTGEPKEKFLTNLSWSPDENILYVAEVNRAQNECKVNAYDAETGRFVRTLFVETDKHYVEPLHPLTFLPGSNNQFIWQSRRDGWNHLYLYDTTGRLIRQVTKGEWEVTNFAGFDPKGTRLYFESTEASPLERHFYCIDIKGGKTKDLTPESGMHRTQLSPDGSAIIDIFQSPTVPRKVTVTNIGKGSHTLLEAKNPDTGYAMPEIRTGTIMAADGQTPLYYKLTMPLHFDPAKKYPVIVYVYGGPHAQLVTKTWRSSVGGWDIYMAQKGYAVFTVDSRGSANRGAAFEQVIHRRLGQTEMADQMCGVDFLKSQSWVDADRIGVHGWSYGGFMTTNLMLTHGDVFKVGVAGGPVIDWNRYEIMYGERYFDAPQENPEGYDAANLLKRAGDLKGRLMLIHGAIDPVVVWQHSLLFLDACVKARTYPDYYVYPSHEHNVMGPDRVHLYETITRYFTDHL,C[C@H](N=C(O)CN)C(=O)N1CCC[C@H]1C(O)=Nc1ccc2ccccc2c1,C[C@H](N=C(O)CN)C(=O)N1CCC[C@H]1C(O)=Nc1ccc2ccccc2c1,C[C@H](N=C(O)CN)C(=O)N1CCC[C@H]1C(O)=Nc1ccc2ccccc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.4858172253022788,,s_04a178a70f8bf36ffee4f0c0,test
catpreddb_km_km_e46864408de3db,catpred_iteration1_km,km,Q8IKT2,Q8IKT2,MCDIGLIGLAVMGQNLSLNISSKGFKIGVYNRTYERTEETMKRAKEENLVVYGYKTVEELINNLKKPRKVILLIKAGPAVDENISNILKHFEKGDIIIDGGNEWYINSERRIKLCKEKDVEYLAMGVSGGEAGARYGCSFMPGGSKYAYDCVKEILEKCSAQVGNSPCVTYIGPGSSGNYVKMVHNGIEYGDMQLISESYVIMKHILKYDNQKLSEVFNKWNEGILNSYLIEITANILAKKDDLTNNYLVDMILDIAGAKGTGKWTMLEATERGIPCPTMCAALDARNISVFKELRTKAESNFNKDNILIDPNEDLNDFENDLLNALYCCKIISYTQGLFLLKQVSEEMNWKLNLGEIARIWRGGCIIRAVFLDRIANAYKNNEKLELLFLDNEFSDDIKNKLPSLRKIVLMATKYSIPIPAFSASLAYFQMVTSQNLPLNLVQAQRDYFGSHTYRRTDREGNYHTLW,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_eb4e3e3c4d3c05fc8a07c388,test
catpreddb_km_km_e46d7bbc764e74,catpred_iteration1_km,km,Q7WG29,Q7WG29,MKLIILDRDGVVNQDSDAFVKSPDEWIALPGSLQAIARLTQADWTVVLATNQSGLARGLFDTATLNAIHDKMHRALAQMGGVVDAIFMCPHGPDDGCACRKPLPGMYRDIARRYDVDLAGVPAVGDSLRDLQAAAQAGCAPWLVQTGNGRKTLAQGGLPEGTRVCEDLAAVAEQLLQEA,O=P(O)(O)OC[C@H](O)[C@H]1O[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H](O)[C@H]1O[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H](O)[C@H]1O[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.161150909262745,,s_f6b925754d8a6e851a8f041b,test
catpreddb_km_km_e4768a7720bc6f,catpred_iteration1_km,km,Q9H9P8,Q9H9P8,MVPALRYLVGACGRARGLFAGGSPGACGFASGRPRPLCGGSRSASTSSFDIVIVGGGIVGLASARALILRHPSLSIGVLEKEKDLAVHQTGHNSGVIHSGIYYKPESLKAKLCVQGAALLYEYCQQKGISYKQCGKLIVAVEQEEIPRLQALYEKGLQNGVPGLRLIQQEDIKKKEPYCRGLMAIDCPHTGIVDYRQVALSFAQDFQEAGGSVLTNFEVKGIEMAKESPSRSIDGMQYPIVIKNTKGEEIRCQYVVTCAGLYSDRISELSGCTPDPRIVPFRGDYLLLKPEKCYLVKGNIYPVPDSRFPFLGVHFTPRMDGSIWLGPNAVLAFKREGYRPFDFSATDVMDIIINSGLIKLASQNFSYGVTEMYKACFLGATVKYLQKFIPEITISDILRGPAGVRAQALDRDGNLVEDFVFDAGVGDIGNRILHVRNAPSPAATSSIAISGMIADEVQQRFEL,O=C(O)CCC(O)C(=O)O,O=C(O)CCC(O)C(=O)O,O=C(O)CCC(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0969100130080563,,s_a62fe8db5f74c6c0529ac87f,test
catpreddb_km_km_e499b51a1e2884,catpred_iteration1_km,km,P36537,P36537,MALKWTTVLLIQLSFYFSSGSCGKVLVWAAEYSLWMNMKTILKELVQRGHEVTVLASSASILFDPNDSSTLKLEVYPTSLTKTEFENIIMQLVKRLSEIQKDTFWLPFSQEQEILWAINDIIRNFCKDVVSNKKLMKKLQESRFDIVFADAYLPCGELLAELFNIPFVYSHSFSPGYSFERHSGGFIFPPSYVPVVMSKLSDQMTFMERVKNMLYVLYFDFWFQIFNMKKWDQFYSEVLGRPTTLSETMRKADIWLMRNSWNFKFPHPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGVVVFSLGSMVSNMTEERANVIATALAKIPQKVLWRFDGNKPDALGLNTRLYKWIPQNDLLGHPKTRAFITHGGANGIYEAIYHGIPMVGIPLFFDQPDNIAHMKAKGAAVRVDFNTMSSTDLLNALKTVINDPSYKENIMKLSRIQHDQPVKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWFQYHSLDVIGFLLACVATVLFIITKCCLFCFWKFARKGKKGKRD,CN(C)CCCN1c2ccccc2CCc2ccccc21,CN(C)CCCN1c2ccccc2CCc2ccccc21,CN(C)CCCN1c2ccccc2CCc2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-2.1426675035687315,,s_3f4ea30f4bd9035b5a50f6df,test
catpreddb_km_km_e4a4d49bc85ea8,catpred_iteration1_km,km,O28558,O28558,MLDMPIDPVYYQLAEYFDSLPKFDQFSSAREYREAINRIYEERNRQLSQHERVERVEDRTIKGRNGDIRVRVYQQKPDSPVLVYYHGGGFVICSIESHDALCRRIARLSNSTVVSVDYRLAPEHKFPAAVYDCYDATKWVAENAEELRIDPSKIFVGGDSAGGNLAAAVSIMARDSGEDFIKHQILIYPVVNFVAPTPSLLEFGEGLWILDQKIMSWFSEQYFSREEDKFNPLASVIFADLENLPPALIITAEYDPLRDEGEVFGQMLRRAGVEASIVRYRGVLHGFINYYPVLKAARDAINQIAALLVFD,C=CCC(=O)O,C=CCC(=O)O,C=CCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_8397ee81f8ab2c349c0f1a38,test
catpreddb_km_km_e4ac6afd9ee375,catpred_iteration1_km,km,Q93WK7,Q93WK7,IDCGVSIGTIFGIYMIKDKDNVTLDDVLQPGTDMLAAGYCMYGSSCTLVLSTGNGVNGFTLDPSLGEFILTHPNIKIPNRGKIYSVNEGSAKNWDAPTAKFVEKCKFPQDGSPSKSLRYIGSMVADVHRTLLYGGIFLYPADQKSPNGKLRVL,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.1804560644581312,,s_325cb174a759073f88632f49,test
catpreddb_km_km_e4b3b062fde898,catpred_iteration1_km,km,Q8IKT2,Q8IKT2,MCDIGLIGLAVMGQNLSLNISSKGFKIGVYNRTYERTEETMKRAKEENLVVYGYKTVEELINNLKKPRKVILLIKAGPAVDENISNILKHFEKGDIIIDGGNEWYINSERRIKLCKEKDVEYLAMGVSGGEAGARYGCSFMPGGSKYAYDCVKEILEKCSAQVGNSPCVTYIGPGSSGNYVKMVHNGIEYGDMQLISESYVIMKHILKYDNQKLSEVFNKWNEGILNSYLIEITANILAKKDDLTNNYLVDMILDIAGAKGTGKWTMLEATERGIPCPTMCAALDARNISVFKELRTKAESNFNKDNILIDPNEDLNDFENDLLNALYCCKIISYTQGLFLLKQVSEEMNWKLNLGEIARIWRGGCIIRAVFLDRIANAYKNNEKLELLFLDNEFSDDIKNKLPSLRKIVLMATKYSIPIPAFSASLAYFQMVTSQNLPLNLVQAQRDYFGSHTYRRTDREGNYHTLW,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.9469215565165805,,s_eb4e3e3c4d3c05fc8a07c388,test
catpreddb_km_km_e4b7c7da654ad9,catpred_iteration1_km,km,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC,COc1ccc(CO)cc1OC>>,public_strict_iteration1_fulltrue_msa,,-0.3279021420642826,,s_f2bb212131b83045ca25164e,test
catpreddb_km_km_e4bd2a9ea7e244,catpred_iteration1_km,km,G2PZJ2,G2PZJ2,MGFLAATLVSCAALASAASIPRPHAKRQVSQLRDDYDFVIVGGGTSGLTVADRLTEAFPAKNVLVIEYGDVHYAPGTFDPPTDWITPQPDAPPSWSFNSLPNPDMANTTAFVLAGQVVGGSSAVNGMFFDRASRHDYDAWTAVGGSGFEQSSHKWDWEGLFPFFQKSVTFTEPPADIVQKYHYTWDLSAYGNGSTPIYSSYPVFQWADQPLLNQAWQEMGINPVTECAGGDKEGVCWVPASQHPVTARRSHAGLGHYADVLPRANYDLLVQHQVVRVVFPNGPSHGPPLVEARSLADNHLFNVTVKGEVIISAGALHTPTVLQRSGIGPASFLDDAGIPVTLDLPGVGANLQDHCGPPVTWNYTEPYTGFFPLPSEMVNNATFKAEAITGFDEVPARGPYTLAGGNNAIFVSLPHLTADYGAITAKIRAMVADGTAASYLAADVRTIPGMVAGYEAQLLVLADLLDNPEAPSLETPWATSEAPQTSSVLAFLLHPLSRGSVRLNLSDPLAQPVLDYRSGSNPVDIDLHLAHVRFLRGLLDTPTMQARGALETAPGSAVADSDEALGEYVRSHSTLSFMHPCCTAAMLPEDRGGVVGPDLKVHGAEGLRVVDMSVMPLLPGAHLSATAYAVGEKAADIIIQEWMDKEQ,O=Cc1ccc(CO)o1,O=Cc1ccc(CO)o1,O=Cc1ccc(CO)o1>>,public_strict_iteration1_fulltrue_msa,,1.1146109842321732,,s_f2bb212131b83045ca25164e,test
catpreddb_km_km_e4cabbd49c549c,catpred_iteration1_km,km,Q56YA5,Q56YA5,MDYMYGPGRHHLFVPGPVNIPEPVIRAMNRNNEDYRSPAIPALTKTLLEDVKKIFKTTSGTPFLFPTTGTGAWESALTNTLSPGDRIVSFLIGQFSLLWIDQQKRLNFNVDVVESDWGQGANLQVLASKLSQDENHTIKAICIVHNETATGVTNDISAVRTLLDHYKHPALLLVDGVSSICALDFRMDEWGVDVALTGSQKALSLPTGLGIVCASPKALEATKTSKSLKVFFDWNDYLKFYKLGTYWPYTPSIQLLYGLRAALDLIFEEGLENIIARHARLGKATRLAVEAWGLKNCTQKEEWISNTVTAVMVPPHIDGSEIVRRAWQRYNLSLGLGLNKVAGKVFRIGHLGNVNELQLLGCLAGVEMILKDVGYPVVMGSGVAAASTYLQHHIPLIPSRI,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2267286682609343,,s_018df9fb3b7ce6ccf0ed3c0c,test
catpreddb_km_km_e4cf132ba70ad5,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.5528419686577808,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_e4cf79f941bf57,catpred_iteration1_km,km,O60704,O60704,MRLSVRRVLLAAGCALVLVLAVQLGQQVLECRAVLAGLRSPRGAMRPEQEELVMVGTNHVEYRYGKAMPLIFVGGVPRSGTTLMRAMLDAHPEVRCGEETRIIPRVLAMRQAWSKSGREKLRLDEAGVTDEVLDAAMQAFILEVIAKHGEPARVLCNKDPFTLKSSVYLSRLFPNSKFLLMVRDGRASVHSMITRKVTIAGFDLSSYRDCLTKWNKAIEVMYAQCMEVGKEKCLPVYYEQLVLHPRRSLKLILDFLGIAWSDAVLHHEDLIGKPGGVSLSKIERSTDQVIKPVNLEALSKWTGHIPGDVVRDMAQIAPMLAQLGYDPYANPPNYGNPDPFVINNTQRVLKGDYKTPANLKGYFQVNQNSTSSHLGSS,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2291479883578558,,s_a49165424debfdaef30bf5a5,test
catpreddb_km_km_e4ded7b6ec933c,catpred_iteration1_km,km,P12276,P12276,MEDVVIAGIAGKLPESENLQEFWENLLNGVDMVTEDDRRWKPGIYGLPKRNGKLKDIKKFDASFFGVHPKQAHTMDPQLRLLLEVSYEAILDGGINPTALRGTDTGVWVGASGSEALEALSQDPEELLGYSMTGCQRAMLANRISYFYDFTGPSLTIDTACSSSLMALENAYKAIRHGQCSAALVGGVNILLKPNTSVQFMKLGMLSPDGACKAFDVSGNGYCRSEAVVVVLLTKKSMAKRVYATIVNAGSNTDGFKEQGVTFPSGEMQQQLVGSLYRECGIKPGDVEYVEAHGTGTKVGDPQEVNGIVNVFCQCEREPLLIGSTKSNMGHPEPASGLAALAKVILSLEHGLWAPNLHFNDPNPDIPALHDGSLKVVCKPTPVKGGLVSINSFGFGGSNAHVILRPNEKKCQPQETCNLPRLVQVCGRTQEAVEILIEESRKHGGCSPFLSLLSDISAVPVSSMPYRGYTLVGTESDITEIQQVQASGRPLWYICSGMGTCPDLDYFVVFSSVSCGRGNAGQSNYGFANSAMERICEQRHHDGLPGLAVQWGAIGDVGILKAMGNREVVIGGTVLQQISSCLEVLDMFLNQPHPVMSSFVLAEKVSVKSEGGSQRDLVEAVAHILGVRDVSSLNAESSLADLGLDSLMGVEVRQTLERDYDIVMTMREIRLLTINKLRELSSKTGTAEELKPSQVLKTGPGEPPKLDLNNLLVNPEGPTITRLNEVQSTERPLFLVHPIEGSIAVFYTLASKLHMPCYGLQCTKAAPLDSIQSLASYYIDCMKQIQPEGPYRIAGYSFGACVAFEMCSQLQAQQNASHALNSLFLFDGSHSFVAAYTQSYRAKLTQGNEAALETEALCAFVQQFTGIEYNKLLEILLPLEDLEARVNAAADLITQIHKNINREALSFAAASFYHKLKAADKYIPESKYHGNVTLMRAKTHNEYEEGLGGDYRLSEVCDGKVSVHIIEGDHRTLLEGDGVESIIGIIHGSLAEPRVSVREG,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_79bb22d00f99679a2d54532a,test
catpreddb_km_km_e4f33f6c7f868a,catpred_iteration1_km,km,Q6P6V0,Q6P6V0,MAALTRNPEFQKLLEWHRANSANLKLRELFEADPERFNHFSLNLNTNHGHILLDYSKNLVNKEVLHMLVDLAKSRGVEAARDNMFSGLKINSTEDRAVLHVALRNRSNRSIMMDGKDVMPEVNKVLDKMKSFCQRVRSGDWKGYTGKAITDIINIGIGGSDLGPLMVTEALKPYSKGGPRVWFVSNIDGTHIAKTLANLNPESSLFIIASKTFTTQETITNAETAKEWFLQAAKDPSAVAKHFVALSTNTDKVKEFGIDPKNMFEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGAHWMDQHFMKTPLDKNAPVLLALLGIWYINFYGCETHAMLPYDQYMHRFAAYFQQGDMESNGKYITKSGARVDYQTGPIVWGEPGTNGQHAFYQLIHQGTKMIPCDFLIPVQTQHPIRNGLHHKILLANFLAQTEALMKGKSPEEARKELQAAGKSPEELEKLLPHKVFEGNRPTNSIVFTKLTPFILGALIAMYEHKIFVQGIIWDINSFDQWGVELGKQLAKKIEPELDGSSAVTSHDSSTNGLIGFIKLQRDTKID,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O,O=P(O)(O)OCC1OC(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.1356202624160628,,s_32b04d14673d2a0394002541,test
catpreddb_km_km_e53096d52f4e47,catpred_iteration1_km,km,A0A0K1H0V2,A0A0K1H0V2,MESKSENDVVASPPSEFEKNQKHYQETIATLPHQNGWRPKDPFVEYGGHWWLQPLLEGLLHAQNFFKARPNDFFVCSYPKTGTTWLKALTFAIANRSKFDDSTNPLLKRNPHEFVPYIEIDFPFFPSVDVLKDQGNTLFSTHIPYNLLPESILKAGCKMVYIWRDPKDTFVSMWTFAHKERSQQGDLVGIEEAFDKYCQGLSVYGPYLDHVLGYWKAHEANPEKILFLKYETMRGDPLPYVKRLAEFMGYGFTEEEEEGGVVERVVKLCSFETLKNLEANKGDKDREDRPAVYANSAYFRKGKVGDWENYLTPEMVARIDGLMEEKFRGTGFLASTP,CSCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0457574905606752,,s_d2a6f4d159122c91cb2bc94f,test
catpreddb_km_km_e55deec10c8d1c,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N[C@H](CCS(=O)(=O)O)C(=O)O,N[C@H](CCS(=O)(=O)O)C(=O)O,N[C@H](CCS(=O)(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9912260756924948,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_e568d089f0c6b2,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-],CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-],CC(C)(O/N=C(\C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(=N)[nH]1)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,2.1382309020866224,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_e5840237fe42ad,catpred_iteration1_km,km,Q9CID5,Q9CID5,MTEKDWIIQYDKKEVGKRSYGQESLMSLGNGYLGLRGAPLWSTCSDNHYPGLYVAGVFNRTSTEVAGHDVINEDMVNWPNPQLIKVYIDGELVDFEASVEKQATIDFKNALQIERYQVKLAKGNLTLVTTKFVDPINFHDFGFVGEIIADFSCKLRIETFTDGSVLNQNVERYRAFDSKEFEVTKISKGLLVAKTRTSEIELAIASKSFLNGLAFPKIDSENDEILAEAIEIDLQKNQEVQFDKTIVIASSYESKNPVEFVLTELSATSVSKIQENNTNYWEKVWSDADIVIESDHEDLQRMVRMNIFHIRQAAQHGANQFLDASVGSRGLTGEGYRGHIFWDEIFVLPYYAANEPETARDLLLYRINRLTAAQENAKVDGEKGAMFPWQSGLIGDEQSQFVHLNTVNNEWEPDNSRRQRHVSLAIVYNLWIYSQLTEDESILTDGGLDLIIETTKFWLNKAELGDDGRYHIDGVMGPDEYHEAYPGQEGGICDNAYTNLMLTWQLNWLTELSEKGFEIPKELLEKAQKVRKKLYLDIDENGVIAQYAKYFELKEVDFAAYEAKYGDIHRIDRLMKAEGISPDEYQVAKQADTLMLIYNLGQEHVTKLVKQLAYELPENWLKVNRDYYLARTVHGSTTSRPVFAGIDVKLGDFDEALDFLITAIGSDYYDIQGGTTAEGVHIGVMGETLEVIQNEFAGLSLREGQFAIAPYLPKSWTKLKFNQIFRGTKVEILIENGQLLLTASADLLTKVYDDEVQLKAGVQTKFDLK,O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7781512503836436,,s_ab9ef1581700d6578984f55f,test
catpreddb_km_km_e58a9c9598b259,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O=P(O)(O)Oc1ccccc1,O=P(O)(O)Oc1ccccc1,O=P(O)(O)Oc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.2175273758337138,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_e5a72b1d4b934e,catpred_iteration1_km,km,B2Z9Y3,B2Z9Y3,MGNYLSISFFLLLCGITTAESQLFNSYLTLPSSCPAPDPALNYRPIIGIVSHPGDGATGRLSNATNVSYIAASYVKFAEMAGARVIPLIYTEPPQVLNQKLNLVNGIIFTGGWAKDGLYFDVIKGIFQKVLEKNDAGEHFPLLAICLGYELLTMIITNDNNILEEFSAASQASTVQFVENVNIEGTIFGRFPPVLLKKMSIDCLVMQNHHFGISPERFQVNKDLSSFFRVLTTSTDENNKVYVSTIQAQRYPIAAFQWHPEKNAFEWGSSRIPHSEDAIQVTTHVANYFISEARKSSNKPVAREVLDSLIYNNNPTYGGKAGKGYDEVYLFIPHSSSSSM,N=c1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1,N=c1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1,N=c1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)cc3)cnc2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.920818753952376,,s_545eb204b224429b52bfc5e8,test
catpreddb_km_km_e5b430721817f6,catpred_iteration1_km,km,Q3S2I3,Q3S2I3,MKKATVAAVVVGTAAAVAVAALIMRHRMGKSSKWARARAILKEFEEKCATPDGKLKQVADAMTVEMHAGLASEGGSKLKMLISYVDNLPTGDEGGVFYALDLGGTNFRVLRVQLGGKDGGIIHQEFAEASIPPNLMVGTSEALFDYIAAELAKFVAEEGEEFHPPPGRQRELGFTFSFPIMQTSINSGTLIRWTKGFSIDDTVGKDVVAELTKAMQKREIDMRVSALVNDTVGTLAGGRFTNKDVSIAVILGTGTNAAYVERAQAIPKWHGPLPKSGEMVINMEWGNFRSSHLPLTEYDHAMDTDSLNPGEQIFEKICSGMYLGEILRRVLLRMAEEAGIFGEEVPPKLKNSFILRTPEMSAMHHDTSSDLRVVGDKLKDILEISNTSLKTRRLVVELCNIVATRGARLAAAGILGIIKKMGKDTPRESGPEKIVVAMDGGLYEHYTEYSKCLENTLVELLGKEMATSIVFKHANDGSGIGAALLAASNSVYVEDK,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6382721639824072,,s_88fe1e31eecc11f95217482e,test
catpreddb_km_km_e5b57bebb6cfcf,catpred_iteration1_km,km,Q1PCB1,Q1PCB1,MSQDDTPRVLSIQSHVVHGYVGNKSAVFPLQVLGFEVDSINTVQFSTHTAYKHIKGYVLNNDQMKELVEGLVLNEVDYYTHFLTGYSRSPDSLREIAKIIKQLREKNPNLIYVCDPVMGDNGKMYVPEEILPVYRDVLVPLADILTPNQFEAELITGIPMKDLDGALRVIQRLHDMGVKTVVLSSTDLGDEENMIGLASTGGSCYKIPIPKVEATFTGTGDLFAALFLAWSHLTGNDVKLALEKTIATLQSIVVDTYQTARASHLTGKIPPRFTELRLVQNKTVIEDPKIKLKAVKIN,Cc1ncc(CO)c(C=O)c1O,Cc1ncc(CO)c(C=O)c1O,Cc1ncc(CO)c(C=O)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.3555614105321614,,s_e4df4f79e9904a90c075dd02,test
catpreddb_km_km_e5f49889582a9f,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,O=Cc1ccc(Cl)cc1,O=Cc1ccc(Cl)cc1,O=Cc1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,0.877371345869774,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_e60dff0337e1c5,catpred_iteration1_km,km,A9A1Y1,A9A1Y1,MTDSPILSPKSIAVIGASDKRGSVGATITSNIMNGFKGTVYPISPTRDTVFYKKAYKSVLDVPKSIDLAVIVIKNTLVTPVLEECGKKKIKGVIIITAGFKEVDEEGAKREQQVIDIAKKYNMQVVGPNCLGVMNLDSKTMMNSTFLKVTPKSGKIALVSQSGAICAALVEDASAQGIGFSAVVSLGNKAVMSEVDVLKILANHKQTEVIVMYLEDMGDGQEFLKVCKNITKKLKKPVLVLKSGRSPEGAKAAMSHTGALMGSDEIYDALLKQSGAIRVDTMEELFDYATAFSKQPLPSNGDLVIVSNAGGPAIISTDACSKAKIKMADITSIRKKIDEVIPPWGSSRNPVDIVGDADFNRFHNVLDRVLKHPKVGSVISMCTPSGTLNYDKLAEVIVEMSKKYKKTMLASLMGLDEGVTNREILADGNVPYYTYAEGAIRTLAAMIRFSDWVKSSPGKITKFKVNKAKAKKIFDQVKKEKRPNLLEEEGQEVLKAYGLPLPKSTLAKNEAEAVKAAKKIGYPVVMKIASPQIIHKSDAGGVKVNLTNDAEVKDAFKTIVKNAKKYNKKAEIKGVLIVEMVKGGKELIIGSKLEPGFGPVIMLGMGGIYVEVLKDVTFKLAPVTDKEADDMIASIKTQKLLQGVRGEKPSDIVKLSECIQRLSQLVSDFKEIKELDMNPVLVMEKGKGCRILDVRIGL,O=C(O)CCCO,O=C(O)CCCO,O=C(O)CCCO>>,public_strict_iteration1_fulltrue_msa,,-0.431798275933005,,s_f1f5a52277c04678b561d2de,test
catpreddb_km_km_e61c4bca47cbe4,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CCCCCC1CCC(=O)O1,CCCCCC1CCC(=O)O1,CCCCCC1CCC(=O)O1>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_e61c7a869f71be,catpred_iteration1_km,km,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,COc1cc(C(=O)O)cc(OC)c1[O-],COc1cc(C(=O)O)cc(OC)c1[O-],COc1cc(C(=O)O)cc(OC)c1[O-]>>,public_strict_iteration1_fulltrue_msa,,-0.2856702402547669,,s_a6bfd646457ffec3f91681c4,test
catpreddb_km_km_e61da10442e386,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCCCC(=O)C(=O)[O-],CCCCC(=O)C(=O)[O-],CCCCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_e61db2817fd497,catpred_iteration1_km,km,M4GGS2,M4GGS2,MFDLKKILDRPTIPWKLIISAFSIAQFSFESYLTYRQYQKLSETKLPPVLEDEIDDETFHKSRNYSRAKAKFSIFSDIYNLAQKLVFIKYDFFPKIWHMAVTLSNAVLPVRFHMVSTVAQSLCFLGLLSSMSTLVDLPLSYYSHFVLEEKFGFNKLTVKLWITDMIKSLTLAYAIGGPILYLFLKIFDKFPTDFLWYIMVFLFVVQILAMTIIPVFIMPLFNKFTPLEDGELKKSIESLADRVGFPLDKIFVIDGSKRSSHSNAYFTGLPFTSKRIVLFDTLVNSNSTDEITAVLAHEIGHWQKNHIVNMVIFSQLHTFLIFSLFTSIYRNSSFYNTFGFFVEKSSSGFVDPVITKEFPIIIGFMLFNDLLTPLECAMQFIMSLISRTHEYQADAYAKKLGYKQNLCRALIDLQIKNLSTMNVDPLYSSYHYSHPTLAERLTALDYVSEKKKNSGLEVLFQ,CCC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(O)=N[C@H](C(O)=N[C@@H](CCCCN)C(O)=NCC(O)=N[C@H](C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(C)C)C(C)CC,CCC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(O)=N[C@H](C(O)=N[C@@H](CCCCN)C(O)=NCC(O)=N[C@H](C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(C)C)C(C)CC,CCC(C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CO)N=C(O)c1ccccc1N)C(O)=N[C@H](C(O)=N[C@@H](CCCCN)C(O)=NCC(O)=N[C@H](C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(C)C)C(C)CC>>,public_strict_iteration1_fulltrue_msa,,-0.9488474775526188,,s_b43f3ff9a1110d24bb2d3059,test
catpreddb_km_km_e6243e8ce19f92,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0315170514460648,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_e627372b4ab532,catpred_iteration1_km,km,Q58327,Q58327,MVIMEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.5228787452803376,,s_65b17f02c00084bc7891919d,test
catpreddb_km_km_e637c47ba0f26e,catpred_iteration1_km,km,A0A0V3XMN6,A0A0V3XMN6,MHKVKLAAITCELPARSYENDDPVFAAVPDLSESWWQFWGVNRRGYFDPRNGENEFSLVVRAAERLLRSSDTAPDSVDMLICSASSPIMTDAGDVLPDLRGRLYPRMANVLSKQLGLSRALPLDSQMECASFLLNLRLAASMIRQGKAEKVLVVCSEYISNLLDFTSRTSTLFADGCAVALLTRGDDDSCDLLASAEHSDATFYEVATGRWRLPENPTGEAKPRLYFSLFSDGQNKMASFVPTNVPIAMRRALEKAGLGSDDIDYFVFHQPAPFLVKAWAEGIGARPEQYQLTMGDTGVMISVSIPYTLMTGLREGKIRPGDRIVMAGAATGWGFAAQVWQLGEVLVC,CCCCCCCC(=O)CC(=O)[O-],CCCCCCCC(=O)CC(=O)[O-],CCCCCCCC(=O)CC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.1139433523068367,,s_fc23325f4d618852c65878ef,test
catpreddb_km_km_e64da7877209be,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,CCCCCCC(N)C(=O)O,CCCCCCC(N)C(=O)O,CCCCCCC(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1366771398795441,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_e662b6983f3ed3,catpred_iteration1_km,km,F1QCV2,F1QCV2,MASGSALIFDEEMSRYKLLWTDPACEIEVPERLTVSYEALRTHGLAQRCKAVPVRQATEQEILLAHSEEYLEAVKQTPGMNVEELMAFSKKYNDVYFHQNIYHCAKLAAGATLQLVDSVMKREVRNGMALVRPPGHHSQRSAANGFCVFNNVAIAALYAKKNYNLNRILIVDWDVHHGQGIQYCFEEDPSVLYFSWHRYEHQSFWPNLPESDYSSVGKGKGSGFNINLPWNKVGMTNSDYLAAFFHVLLPVAYEFDPELVIVSAGFDSAIGDPEGEMCALPEIFAHLTHLLMPLAAGKMCVVLEGGYNLTSLGQSVCQTVHSLLGDPTPRISGLGTACDSALESIQNVRNVQSSYWSSFKHLAQSETNPKRPRLDATNGGPKESSEPASESNPKKTAQDIVWPEPLKRMPASVRTVVVPPPGVELTLPKNCQHSGDISESTAKEVQRIRDKHFHDLTDQNILRSLGNIISVLDRMMRSDEVCNGCVVVSDLSVSVQCALQHALTEPAERVLVVYVGDGELPVKTNDGKVFLVQICTKETEDKCVNRLSLCLREGESLTAGFMQALLGLILPVAYEFNPALVLGIVGETAAKTGLMTVWGHMTCLIQGLARGRTLTLLQGYDKDLLELTVSALSGASISPLGPLRALKPEDVEMMEKQRQRLQERWGLLRCTVSES,CCCCN=C(C)O,CCCCN=C(C)O,CCCCN=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-0.0457574905606751,,s_6bd27ef446a59d39e011fe2a,test
catpreddb_km_km_e68a8468f65b28,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.2235340402129857,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_e690254db691d9,catpred_iteration1_km,km,Q1M7F4,Q1M7F4,MDAMVETNRHFIDADPYPWPYNGALRPDNTALIIIDMQTDFCGKGGYVDHMGYDLSLVQAPIEPIKRVLAAMRAKGYHIIHTREGHRPDLADLPANKRWRSQRIGAGIGDPGPCGRILTRGEPGWDIIPELYPIEGETIIDKPGKGSFCATDLELVLNQKRIENIILTGITTDVCVSTTMREANDRGYECLLLEDCCGATDYGNHLAAIKMVKMQGGVFGSVSNSAALVEALP,N=C(O)NC(=N)O,N=C(O)NC(=N)O,N=C(O)NC(=N)O>>,public_strict_iteration1_fulltrue_msa,,-1.1023729087095586,,s_9703e782c71ec0fd8b7e8ed1,test
catpreddb_km_km_e6ab8428396e76,catpred_iteration1_km,km,Q9S5E2,Q9S5E2,MTTKQICFADRCFNFAFGEHVLESVESYIPRDEFDQYIMISDSGVPDSIVHYAAEYFGKLAPVHILRFQGGEEYKTLSTVTNLQERAIALGANRRTAIVAVGGGLTGNVAGVAAGMMFRGIALIHVPTTFLAASDSVLSIKQAVNLTSGKNLVGFYYPPRFVFADTRILSESPPRQVKAGMCELVKNMLILENDNKEFTEDDLNSANVYSPKQLETFINFCISAKMSVLSEDIYEKKKGLIFEYGHTIGHAIELAEQGGITHGEAIAVGMIYAAKIANRMNLMPEHDVSAHYWLLNKIGALQDIPLKSDPDSIFHYLIHDNKRGYIKLDEDNLGMILLSGVGKPAMYNQTLLTPVRKTLIKEVIREGL,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.7695510786217261,,s_f75b223c631ef9d7f0451dd3,test
catpreddb_km_km_e6b0ddf9a0b5c3,catpred_iteration1_km,km,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.5228787452803374,,s_d41fba0c5b340501d312a097,test
catpreddb_km_km_e6b5db891d4357,catpred_iteration1_km,km,A2TEF2,A2TEF2,MIGELLLLLAAGLALYGWYFCKSFNTTRPTDPPVVHGTTPFVGHIIQFGKDPLGFMLKAKKKYGGIFTMNICGNRITVVGDVHQHSKFFTPRNEILSPREVYSFMVPVFGEGVAYAAPYPRMREQLNFLAEELTVAKFQNFAPSIQHEVRKFMKANWNKDEGEINILDDCSAMIINTACQCLFGEDLRKRLDARQFAQLLAKMESCLIPAAVFLPWILKLPLPQSYRCRDARAELQDILSEIIIAREKEEAQKDTNTSDLLAGLLGAVYRDGTRMSQHEVCGMIVAAMFAGQHTSTITTTWSLLHLMDPRNKRHLAKLHQEIDEFPAQLNYDNVMEEMPFAEQCARESIRRDPPLVMLMRKVLKPVQVGKYVVPEGDIIACSPLLSHQDEEAFPNPREWNPERNMKLVDGAFCGFGAGVHKCIGEKFGLLQVKTVLATVLRDYDFELLGPLPEPNYHTMVVGPTASQCRVKYIKKKKAAA,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)C1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)C1CC3,CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)C1CC3>>,public_strict_iteration1_fulltrue_msa,,-1.7323590176540846,,s_d540cb1ef35fd300bed61dcc,test
catpreddb_km_km_e6d370429369aa,catpred_iteration1_km,km,C4MB67,C4MB67,MKKIFVIGITGSICSGKSRLCKALQSKGIKTIDSDTIGHDVILQEDVKKEIKESFGEEVFNEEGQVDRKRLSDVVFTNKKQLKKLNEIMWNSIENKIKEQIQQLEIQGEKIVAVEAALLIRTNWMSWMDMIWVTTVSPEIAIARMTAGRGMTREECINRMKNQPSSREYARYADILFDTRFNRGTLERIFNREINAFLIDFNENKF,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H](O)C(O)=NCCC(O)=NCCS>>,public_strict_iteration1_fulltrue_msa,,-0.9430951486635272,,s_1698d105881e5c9fcbbe5449,test
catpreddb_km_km_e6d3fa357723ef,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,O=CC(O)C(O)COP(=O)(O)O,O=CC(O)C(O)COP(=O)(O)O,O=CC(O)C(O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.42021640338319,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_e6e966404291a0,catpred_iteration1_km,km,Q84P23,Q84P23,MLTKTNDSRLIDRSSGFDQRTGIYHSLRPSLSLPPIDQPLSAAEFALSLLLKSSPPATAGKNIEALTYLVNSSSGDNLTYGELLRRVRSLAVSLRERFPSLASRNVAFILSPSSLDIPVLYLALMSIGVVVSPANPIGSESEVSHQVEVSEPVIAFATSQTVKKLQSSSLPLGTVLMDSTEFLSWLNRSDSSSVNPFQVQVNQSDPAAILFSSGTTGRVKGVLLTHRNLIASTAVSHQRTLQDPVNYDRVGLFSLPLFHVFGFMMMIRAISLGETLVLLGRFELEAMFKAVEKYKVTGMPVSPPLIVALVKSELTKKYDLRSLRSLGCGGAPLGKDIAERFKQKFPDVDIVQGYGLTESSGPAASTFGPEEMVKYGSVGRISENMEAKIVDPSTGESLPPGKTGELWLRGPVIMKGYVGNEKASAETVDKEGWLKTGDLCYFDSEDFLYIVDRLKELIKYKAYQVPPVELEQILHSNPDVIDAAVVPFPDEDAGEIPMAFIVRKPGSNLNEAQIIDFVAKQVTPYKKVRRVAFINAIPKNPAGKILRRELTKIAVDGNASKL,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O,CCCCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4559319556497243,,s_6054a43023a3df240062cbaf,test
catpreddb_km_km_e6f02688193d4c,catpred_iteration1_km,km,Q06402,Q06402,MGLPGKNKGAVLSKIATNNQHGENSEYFDGWKAYDKDPFHLSRNPHGIIQMGLAENQLCLDLIKDWVKENPEASICTLEGIHQFSDIANFQDYHGLKKFRQAIAHFMGKARGGRVTFDPERVVMSGGATGANETIMFCLADPGDVFLIPSPYYAAFDRDLRWRTGVEIIPVPCSSSDNFKLTVDAAEWAYKKAQESNKKVKGLILTNPSNPLGTMLDKDTLTNLVRFVTRKNIHLVVDEIYAATVFAGGDFVSVAEVVNDVDISEVNVDLIHIVYSLSKDMGLPGFRVGIVYSFNDSVVSCARKMSSFGLVSSQTQLMLASMLSDDQFVDNFLMESSRRLGIRHKVFTTGIKKADIACLTSNAGLFAWMDLRHLLRDRNSFESEIELWHIIIDRVKLNVSPGSSFRCTEPGWFRICFANMDDDTLHVALGRIQDFVSKNKNKIVEKASENDQVIQNKSAKKLKWTQTNLRLSFRRLYEDGLSSPGIMSPHSPLLRA,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O,C[S+](CCC(N)C(=O)O)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_2190ea642f520b9e398d4969,test
catpreddb_km_km_e6f706fcb31d0e,catpred_iteration1_km,km,O75828,O75828,MSSCSRVALVTGANRGIGLAIARELCRQFSGDVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRALRDFLRKEYGGLNVLVNNAAVAFKSDDPMPFDIKAEMTLKTNFFATRNMCNELLPIMKPHGRVVNISSLQCLRAFENCSEDLQERFHSETLTEGDLVDLMKKFVEDTKNEVHEREGWPNSPYGVSKLGVTVLSRILARRLDEKRKADRILVNACCPGPVKTDMDGKDSIRTVEEGAETPVYLALLPPDATEPQGQLVHDKVVQNW,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21,O=C1C(=O)c2ccccc2-c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.821536411214236,,s_2764a837703abb2f4c81a0d2,test
catpreddb_km_km_e6fea66ab2866c,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,CC(C)(C)OC(N=C(O)[C@H](CCC(=O)O)N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)(C)OC(N=C(O)[C@H](CCC(=O)O)N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1,CC(C)(C)OC(N=C(O)[C@H](CCC(=O)O)N=C(O)OCc1ccccc1)C(O)=N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_e70e6e5cb63570,catpred_iteration1_km,km,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3665315444204134,,s_10643db1da4d21bc18567292,test
catpreddb_km_km_e736f0b64def44,catpred_iteration1_km,km,Q9ER35,Q9ER35,MEQLLRAQLHTTTLRAFGSSGGGCISEGYAYYTDSGPVFVKVNRRTQARQMFEGEMASLEALRNTGLVRVPKPMKVIDLPGGGAVFVMEHLKMKSLSSQASKLGEQMADLHLYNQKLREKSKTRQNTVGCGAEGAEPQGVTKFGFHTVTCCGFIPQVNEWQEDWPTFFTRHRLQAQLDLIEKDYADRETQELWSRLQVKIPDLFAGIEIVPALLHGDLWSGNVAEDDQGPVIYDPASFYGHSEFELAIASMFGGFPRSFFTAYHRKIPKAPGFDKRLLLYQLFNYLNHWNHFGREYRSPSLGVMRKLLR,N[C@@H](CCCCNC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O,N[C@@H](CCCCNC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O,N[C@@H](CCCCNC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.130768280269024,,s_eda7e20aba1ae1980dee8001,test
catpreddb_km_km_e73a0693e793a7,catpred_iteration1_km,km,Q8IE38,Q8IE38,MHKNICIYGGSFDPITYAHEMVLDKISNLNWIHEIWVVICRCRNDKSLTEFHHRHNMFTIIINNSSKIIKSKIFLKDLESHSEMTPTYDLLKTQKELHPNYTFYFGLGSDLICDIFSWDEGEKLVLENAFIIIERGHFKIDESILKKFPKYYLINIPKLSFINFISSSEARKFLTKENDINDIKKYIHPLTIDYIIKYNLYDFN,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c1,O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.4461169733561257,,s_979d2073702645bf77230a4c,test
catpreddb_km_km_e73f710011efa5,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.3665315444204134,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_e74c43290b17df,catpred_iteration1_km,km,Q9SC14,Q9SC14,MEESMKQASVMENLRSVVFKESESLEGTCAKIRGYDFNNGIDYSQILKSMVSTGFQASNLGDAIETVNQMLDWRLSHEQVTEDCSQEEKNPTYRESIKCKIFLGFTSNLISSGVRDIIRYLVQHHMVDVIVTTTGGIEEDLIKCLADTFKGEFSLPGAELRSKGLNRIGNLLVPNDNYCKFEDWIIPIFDQMLEEQKAKNVLWTPSKLIMRLGKEINNESSYLYWAYKNDIPVFCPGLTDGSLGDMLYFHTFRNPGLIVDVVQDIRAINSEAVHANPRKTGMIILGGGLPKHHICNANMMRNGADYAVFINTAQEFDGSDSGARPDEAVSWGKIRGSAKSVKVHCDATIAFPLLVAETFAAKREQSAEPSS,NCCCCNCCCCN,NCCCCNCCCCN,NCCCCNCCCCN>>,public_strict_iteration1_fulltrue_msa,,-1.6181021586985933,,s_7475cd261f8d4e44a637ab04,test
catpreddb_km_km_e793ac268d9414,catpred_iteration1_km,km,Q96EY8,Q96EY8,MAVCGLGSRLGLGSRLGLRGCFGAARLLYPRFQSRGPQGVEDGDRPQPSSKTPRIPKIYTKTGDKGFSSTFTGERRPKDDQVFEAVGTTDELSSAIGFALELVTEKGHTFAEELQKIQCTLQDVGSALATPCSSAREAHLKYTTFKAGPILELEQWIDKYTSQLPPLTAFILPSGGKISSALHFCRAVCRRAERRVVPLVQMGETDANVAKFLNRLSDYLFTLARYAAMKEGNQEKIYMKNDPSAESEGL,CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2],CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2],CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[Co+2]>>,public_strict_iteration1_fulltrue_msa,,-2.7986114651948264,,s_c05ed9d778c2d8a115aa475c,test
catpreddb_km_km_e7aa211a3d6aff,catpred_iteration1_km,km,Q04212,Q04212,MVNEKVNPFDLASVSPLVLGGAILNQQYTDEPESIPLEDIIKYAFSHGINAIDTSPYYGPSEVLYGRALSNLRNEFPRDTYFICTKVGRIGAEEFNYSRDFVRFSVHRSCERLHTTYLDLVYLHDVEFVKFPDILEALKELRTLKNKGVIKNFGISGYPIDFITWLAEYCSTEESDIGSLDAVLSYCNLNLQNNKLLNFRERLLRNAKLKMVCNASILSMSLLRSQETRQFHPCSHELRECASQAAKYCQEQNVDLADLATRYAISEWVGKGPVVLGVSSMEELKLALDNYEIVKSNGNRLSSKDGQLVEYIQKNIFKEHFNEEWSSGIPHPEMI,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,0.6127838567197355,,s_1b480b479e86e0133ff3f910,test
catpreddb_km_km_e7b06c5ba9960b,catpred_iteration1_km,km,B2RQC6,B2RQC6,MAALVLEDGSVLQGRPFGAAVSTAGEVVFQTGMVGYPEALTDPSYKAQILVLTYPLIGNYGIPSDEEDEFGLSKWFESSEIHVAGLVVGECCPTPSHWSANCTLHEWLQQRGIPGLQGVDTRELTKKLREQGSLLGKLVQKGTEPSALPFVDPNARPLAPEVSIKTPRVFNAGGAPRICALDCGLKYNQIRCLCQLGAEVTVVPWDHELDSQKYDGLFLSNGPGDPASYPGVVSTLSRVLSEPNPRPVFGICLGHQLLALAIGAKTYKMRYGNRGHNQPCLLVGTGRCFLTSQNHGFAVDADSLPAGWAPLFTNANDCSNEGIVHDSLPFFSVQFHPEHRAGPSDMELLFDVFLETVREAAAGNIGGQTVRERLAQRLCPPELPIPGSGLPPPRKVLILGSGGLSIGQAGEFDYSGSQAIKALKEENIQTLLINPNIATVQTSQGLADKVYFLPITLHYVTQVIRNERPDGVLLTFGGQTALNCGVELTKAGVLARYGVRDDLLQRLHHNPRRIFHLPLQEDTYVEVDLEHEWTVPSHMPFSKARWTPFEGQKVKGTVRRVVLRGEVAYIDGQVLVPPGYGQDVRKWPQGVVPQPPPSTPATTEITTTPERPRRVIPGLPDGRFHLPPRIHRASDPGLPAEEPKEKPPRKVVEPELMGTPDGPCYPAPPVPRQASPQNLGSSGLLHPQMSPLLHSLVGQHILSVKQFTKDQMSHLFNVAHTLRMMVQKERSLDILKGKVMASMFYEVSTRTSSSFAAAMARLGGAVLSFSEATSSVQKGESLADSVQTMSCYADVIVLRHPQPGAVELAAKHCRRPVINAGDGVGEHPTQALLDIFTIREELGTVNGMTITMVGDLKHGRTVHSLACLLTQYRVSLRYVAPPSLRMPPSVRDFVASRGTKQEEFESIEEALPDTDVLYMTRIQKERFGSVQEYEACFGQFILTPHIMTRAKKKMVVMHPMPRVNEISVEVDSDPRAAYFRQAENGMYIRMALLATVLGRF,O=C(O)C1CC(O)=NC(O)=N1,O=C(O)C1CC(O)=NC(O)=N1,O=C(O)C1CC(O)=NC(O)=N1>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_4bb690c50bdd7ba5ece14341,test
catpreddb_km_km_e7b0f97d13bd07,catpred_iteration1_km,km,Q8CFX1,Q8CFX1,MLLAAMCLALLGCLQAQELKGHVSIILLGATGDLAKKYLWQGLFQLYLDEAGKGHSFSFHGAALTAPQQGQKLMDKVLESLSCPKDLVPSRCDELKGQFLQLSQYRQLKTVEDYQTLNKDIETQVQQDGLWEAGRIFYFSVPPFAYADIARNINSSCRPHPGAWLRVVFEKPFGHDHLSAQQLASELGSFFQEEEMYRVDHYLGKQAVAQILPFRDQNRKALDGLWNRHHVERVEIILKETIDAEGRASFYEEYGVIRDTLQNHLTEILTLVAMELPLNISSSAAVLQHKLWAFQALRGLQKSSAILGQYQAYSGQVRRELQKPDGFQSLTPTFAGVLVHIDNLRWEGVPFILMSGKALDERVGYVRIVFKNRAYCTQSERHWVPEQSRCLPQQIIFYIGHGELGHPAILVSRNLFKPSLPTQKWKEVQDQPGLRLFGRPLSDYYAYRPVREQDAYSTLLSHIFHCRKESFITTENLLASWVFWTPLLDSLAFEVPRPYPGGAENGQLLDFEFSGGQLTFSQQQLEVLIPDLGSVPKPSDFQVLGARYRQSPLITAWPEELISKLASDIEAAAVQAVRHFGKFHLALSGGSSPIALFQQLATGHYSFPWAHTHLWLVDERCVPLSDPDSNFQGLQAHLLQHVRVPYYNIHPMPVHLHQRLCAEEDQGAQTYASEISALVANSSFDLVLLGMGTDGHTASLFPQSPTGLDGDQLVVLTESPFRPHQRMSLSLPLINRAKKVAVLVMGRTKREITTLVSRVGHEPKKWPISGVVPLSGQLVWYMDYEAFLG,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.3098039199714864,,s_c9e6061fcb35fa36b2f38e0f,test
catpreddb_km_km_e7b9592eca1738,catpred_iteration1_km,km,B2LME2,B2LME2,RYSPLKQINTQTVASLSPAWSYSFGGEKQRGQEGQALVHDGVIYITGSYSRMYAVDAKTGKRLWAYEHRLPDDIRPCCDVVNRGAAIYGDKVYFGTLDAGMVALNKDTGKVVWSKKWGDHKVGYTMSGAPFIVKDKKSGRVMLVHGSSGDEFGVVGYLFARDVDTGEEIWARPMVEGHMGRLNGKDSTTTGDAKAPSWPDDPSRETGKVEAWSHGGGAPWQTASFDVEQNMVVIGTGNPAPWNTWKRTKEGDSPTKWPSLFTSGQAYVDASTGELKGFFSHTPNDAWDFSGNNSVLLFKYKDPKTGKLVKASAHADRNGYFFVTDREKLATGAGYPWKQTALIGAWPFVDGITWSKGFDPKTGLPNVVESQYPPKPKAGADKGESIFVSPPFLGGTNWMPMSYSPDTELFYIPANHWAMDYWTENVTYKPGAAYLGQGFRIKKLFDDHVGVLRAIDPKTGKIAWEHKEQFPLWAGTLTTAGGLVFTGASDGYVKAFDAKTGKEVWKFQTGSGVVSVPITWEQ,CO,CO,CO>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_b60a5785bf5f3057e522b3c6,test
catpreddb_km_km_e7d1e80fa095fd,catpred_iteration1_km,km,P9WQA9,P9WQA9,MTPISQTPGLLAEAMVDLGAIEHNVRVLREHAGHAQLMAVVKADGYGHGATRVAQTALGAGAAELGVATVDEALALRADGITAPVLAWLHPPGIDFGPALLADVQVAVSSLRQLDELLHAVRRTGRTATVTVKVDTGLNRNGVGPAQFPAMLTALRQAMAEDAVRLRGLMSHMVYADKPDDSINDVQAQRFTAFLAQAREQGVRFEVAHLSNSSATMARPDLTFDLVRPGIAVYGLSPVPALGDMGLVPAMTVKCAVALVKSIRAGEGVSYGHTWIAPRDTNLALLPIGYADGVFRSLGGRLEVLINGRRCPGVGRICMDQFMVDLGPGPLDVAEGDEAILFGPGIRGEPTAQDWADLVGTIHYEVVTSPRGRITRTYREAENR,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O,C[C@@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_33fa7fb7e725a59567327012,test
catpreddb_km_km_e7e382f696b66f,catpred_iteration1_km,km,P04764,P04764,MSILKIHAREIFDSRGNPTVEVDLYTAKGLFRAAVPSGASTGIYEALELRDNDKTRFMGKGVSKAVEHINKTIAPALVSKKLNVVEQEKIDQLMIEMDGTENKSKFGANAILGVSLAVCKAGAVEKGVPLYRHIADLAGNPEVILPVPAFNVINGGSHAGNKLAMQEFMILPVGASSFREAMRIGAEVYHNLKNVIKEKYGKDATNVGDEGGFAPNILENKEALELLKSAIAKAGYTDQVVIGMDVAASEFYRAGKYDLDFKSPDDASRYITPDQLADLYKSFIKDYPVVSIEDPFDQDDWDAWQKFTATAGIQVVGDDLTVTNPKRIAKAAGEKSCNCLLLKVNQIGSVTESLQACKLAQSNGWGVMVSHRSGETEDTFIADLVVGLCTGQIKTGAPCRSERLAKYNQILRIEEELGSKAKFAGRSFRNPLAK,O=C(O)C(CO)OP(=O)(O)O,O=C(O)C(CO)OP(=O)(O)O,O=C(O)C(CO)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_21cc081931f0f35ebbbe474e,test
catpreddb_km_km_e8169cdfd02f93,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C(=O)O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C(=O)O,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_e8177c44c3ed70,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_e81a85d445fbe5,catpred_iteration1_km,km,A0A482KFZ6,A0A482KFZ6,GNSSSPAFGELKDYYLFYLKSKSPKEELLKMWGEVLTSEESVFEVFVLYLSGEPNRNGHK,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,N=c1nc(O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21>>,public_strict_iteration1_fulltrue_msa,,-1.7529227029907783,,s_8372bf0970984a3ef2d9c891,test
catpreddb_km_km_e81dda830c1f49,catpred_iteration1_km,km,D3UAG5,D3UAG5,MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKPPVEEKSKQVHGVDDFDLKGVLPEGFLERTADRGMVVKSWAPQVVVLKKESVGGFVTHCGWNSVLEAVVAGVPMIAWPLYAEQHMNRNVLVTDMEIAIGVEQRDEEGGFVSGEEVERRVRELMESEGGRVLRERCKKLGEMASAALGETGSSTRNLVNFVSSIT,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12>>,public_strict_iteration1_fulltrue_msa,,-2.539102157243452,,s_172b558c15818a4aa109b980,test
catpreddb_km_km_e8214cd033d2ff,catpred_iteration1_km,km,Q8MP06,Q8MP06,MFRKFVIMLVLSLLVAAGISQASSASRVCIIGAGYSGLATARYLQDYGLNYTIFEATPNIGGTWRYDPRVGTDEDGIPIYSSNYKNLRVNSPVDLMTYHGYEFQEGTRSFISGNCFYKYMKSFVRHFGLMENIQVRSLVTWVQRTEDKWNLTYMKTDTRKNYTEECDFVVVASGEFSTPKIPHIKGQEEYKGKTMHSHDYKEAESFRGQRVLVIGAGPSGLDVVMQLSNITSKLVHSQHILKSWHIFNQPDFPGNFISKPNVKHFTANGAVFEDDTVEEFDMVIYCTGFYYNHPFLSTLSSGITATENYVMPLYQQVVNINQPTMTFVGICKPFFAKLLDQQAHYSAKLAAGHFKLPSQDKMLRHWLEHVQMLREAQFKITDVNSVGPNVDEYFKALHKEAGVPLLPPVYASVFVFSGKTLLEDLQNYREYDYRIISDTQFKKKYNPREEVCPYDD,CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)[C@@H](C)O,CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)[C@@H](C)O,CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)[C@@H](C)O>>,public_strict_iteration1_fulltrue_msa,,-0.5466816599529624,,s_f920b11baaa6c5444b21cf82,test
catpreddb_km_km_e8302566146953,catpred_iteration1_km,km,A0A9R0J2J0,A0A9R0J2J0,MKSIPLILMGCGGVGRQLLQHIVSCRLIHANLHGVRLRVVGVADSKSLLSVPDIFTTELDDNSINEICRLKSNGSSLSSLTSYGAYQVFSNSETITNISEIASHLVRSTGLAVVDCSASSDTIGILQKVVEMNGCIVLANKKPLTSSMENYDKLVLHPHRLRHESTVGAGLPVIVSINRLLSSGDTIHRIVGSLSGTLGYVMSEVEDGKPLSEVVKTAKALGYTEPDPRDDLGGMDVARKALIIARLLGQRIELDSIKVESLYPAEMGPNVMNVEEFLATGVPQLDNNLADRVEKAATNGNVLRYVCVIEGSRCEVGIQEVPKNSALGRLRGSDNVVEVYSRCYSEQPLIIQGAGAGNDTTAAGVLADILDIQDLFT,NC(CC=O)C(=O)O,NC(CC=O)C(=O)O,NC(CC=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_ac300403574b680dbb9f32d5,test
catpreddb_km_km_e84eb45e5bcd27,catpred_iteration1_km,km,A0A6A5PXG6,A0A6A5PXG6,MSAVNVAPELINADNTITYDAIVIGAGVIGPCVATGLARKGKKVLIVERDWAMPDRIVGELMQPGGVRALRSLGMIQSINNIEAYPVTGYTVFFNGEQVDIPYPYKADIPKVEKLKDLVKDGNDKVLEDSTIHIKDYEDDERERGVAFVHGRFLNNLRNITAQEPNVTRVQGNCIEILKDEKNEVVGAKVDIDGRGKVEFKAHLTFICDGIFSRFRKELHPDHVPTVGSSFVGMSLFNAKNPAPMHGHVILGSDHMPILVYQISPEETRILCAYNSPKVPADIKSWMIKDVQPFIPKSLRPSFDEAVSQGKFRAMPNSYLPARQNDVTGMCVIGDALNMRHPLTGGGMTVGLHDVVLLIKKIGDLDFSDREKVLDELLDYHFERKSYDSVINVLSVALYSLFAADSDNLKALQKGCFKYFQRGGDCVNKPVEFLSGVLPKPLQLTRVFFAVAFYTIYLNMEERGFLGLPMALLEGIMILITAIRVFTPFLFGELIG,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-2.3665315444204134,,s_1b749f7d087a5ec8f24d8b69,test
catpreddb_km_km_e84f1cde13bf95,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O,CN1C(=O)N=C(O)C(C)(C2=C[C@H](O)CCC2)C1=O>>,public_strict_iteration1_fulltrue_msa,,-1.853871964321762,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_e865385612599d,catpred_iteration1_km,km,Q924Z4,Q924Z4,MLQTLYDYFWWERLWLPVNLTWADLEDKDGRVYAKASDLYITLPLALLFLVIRYFFELYVATPLAALLNVKEKTRLRAPPNATLEHFYQTSGKQPKQVEVDLLSRQSGLSGRQVERWFRRRRNQDRPSLLKKFREASWRFTYYLIAFVAGMAVTVDKPWFYDLRKVWEGYPIQSIIPSQYWYYMIELSFYWSLLFSIASDVKRKDFKEQIIHHVATIILLCFSWFANYVRAGTLIMALHDASDYLLESAKMFNYAGWKNTCNNLFIVFAIVFIITRLVIMPFWILHCTMIYPLELYPAFFGYYFFNFMMAVLQMLHIFWAYFILRMAHKFITGKLIEDERSDREETESSEGEETAAGAGAKSRLLANGHPILNNNHPKND,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO>>,public_strict_iteration1_fulltrue_msa,,-2.542062748571154,,s_08d3907945866849831e5a64,test
catpreddb_km_km_e86e5d87c088f1,catpred_iteration1_km,km,E9BLE1,E9BLE1,MNSNHADAGAPAMEKKMSDKEARKAARLAEEKARAEEKAALVEKYKDVFGAAPMVQSTTYKSRTHIPVAKLSQPELVSKTVLIRARVSTTRKKGKMAFMVLRDGSDSVQAMAAVEGNVPKEMIDFMGQIATESIVDVEATVCKVEQPITSTSHSDIELKVKKIHTVTESLRTLPFTLEDASRKESDEGAKVNLDTRLNSRWMDLRTPASGAIFRLQSRVCQYFRQFLIDNDFCEIHSPKIINAPSEGGANVFKLEYFNRFAYLAQSPQLYKQMVLQGDVPRVFEVGPVFRSENSNTHRHLTEFVGLDVEMRIDEHYYEVLDVAESLFNYIFEHLATHTKELKNVCQQYPFEPLVWKLTPEKMKELGVGVISENVVPTDKFQARVHNMDSRMLRINYMHCIELLNTVLDEKMAPTDDINTTNEKLLGKLVKERYGTDFFISDRFPSSVRPFYTMECKDDVRFTNSYDMFIRGEEISSGAQRIHDPDLLLARAKMLNVDLTPIKEYVDSFRLGAWPHGGFGVGLERVVMLYLGLSNVRLASLFPRDPQRTTP,N,N,N>>,public_strict_iteration1_fulltrue_msa,,0.7745169657285496,,s_bb6d7dab460aa31b9793cbcb,test
catpreddb_km_km_e87521b7bf9c31,catpred_iteration1_km,km,P45511,P45511,MLKVIQSPAKYLQGPDASTLFGQYAKNLADSFFVIADDFVMKLAGEKVLNGLHSHDISCHAERFNGECSHIEINRLIAILKQHGCRGVVGIGGGKTLDTAKAIGYYQKLPVVVIPTIASTDAPTSALSVIYTEAGEFEEYLIYPKNPDMVVMDTAIIAKAPVRLLVAGMGDALSTWFEAKACYDARATSMAGGQSTVAALSLARLCYDTLLAEGEKARFAAQAGVVTDALERIVEANTYLSGIGFESSGLAGAHAIHNGFTILEECHHLYHGEKVAFGTLAQLVLQNSPMEEIETVLNFCQKVGLPVTLAEMGVKDDIDGKIMAVAKATCAEGETIHNMPFSVTPESVHAAILTADLLGQQWLAR,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.2441251443275083,,s_4147e408d17bb46f195c4a43,test
catpreddb_km_km_e8870f9350cd48,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-4.0,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_e8cc1c1bfd7d57,catpred_iteration1_km,km,Q9HAS3,Q9HAS3,MELRSTAAPRAEGYSNVGFQNEENFLENENTSGNNSIRSRAVQSREHTNTKQDEEQVTVEQDSPRNREHMEDDDEEMQQKGCLERRYDTVCGFCRKHKTTLRHIIWGILLAGYLVMVISACVLNFHRALPLFVITVAAIFFVVWDHLMAKYEHRIDEMLSPGRRLLNSHWFWLKWVIWSSLVLAVIFWLAFDTAKLGQQQLVSFGGLIMYIVLLFLFSKYPTRVYWRPVLWGIGLQFLLGLLILRTDPGFIAFDWLGRQVQTFLEYTDAGASFVFGEKYKDHFFAFKVLPIVVFFSTVMSMLYYLGLMQWIIRKVGWIMLVTTGSSPIESVVASGNIFVGQTESPLLVRPYLPYITKSELHAIMTAGFSTIAGSVLGAYISFGVPSSHLLTASVMSAPASLAAAKLFWPETEKPKITLKNAMKMESGDSGNLLEAATQGASSSISLVANIAVNLIAFLALLSFMNSALSWFGNMFDYPQLSFELICSYIFMPFSFMMGVEWQDSFMVARLIGYKTFFNEFVAYEHLSKWIHLRKEGGPKFVNGVQQYISIRSEIIATYALCGFANIGSLGIVIGGLTSMAPSRKRDIASGAVRALIAGTVACFMTACIAGILSSTPVDINCHHVLENAFNSTFPGNTTKVIACCQSLLSSTVAKGPGEVIPGGNHSLYSLKGCCTLLNPSTFNCNGISNTF,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-1.6736641390712486,,s_9f1cf3571f91ea70ba225e03,test
catpreddb_km_km_e8d609d3de698b,catpred_iteration1_km,km,Q5FQJ0,Q5FQJ0,MASDTIRIPGIDTPLSRVALGTWAIGGWMWGGPDDDNGVRTIHAALDEGINLIDTAPVYGFGHSEEIVGRALAEKPNKAHVATKLGLHWVGEDEKNMKVFRDSRPARIRKEVEDSLRRLRVETIDLEQIHWPDDKTPIDESARELQKLHQDGKIRALGVSNFSPEQMDIFREVAPLATIQPPLNLFERTIEKDILPYAEKHNAVVLAYGALCRGLLTGKMNRDTTFPKDDLRSNDPKFQKPNFEKYLAAMDEFEKLAEKRGKSVMAFAVRWVLDQGPVIALWGARKPGQVSGVKDVFGWSLTDEEKKAVDDILARHVPNPIDPTFMAPPARD,CCC(=O)C(C)=O,CCC(=O)C(C)=O,CCC(=O)C(C)=O>>,public_strict_iteration1_fulltrue_msa,,1.0334237554869496,,s_d714fe7295deac8c6432a0b6,test
catpreddb_km_km_e8df684dd9f4b9,catpred_iteration1_km,km,P32477,P32477,MGLLALGTPLQWFESRTYNEHIRDEGIEQLLYIFQAAGKRDNDPLFWGDELEYMVVDFDDKERNSMLDVCHDKILTELNMEDSSLCEANDVSFHPEYGRYMLEATPASPYLNYVGSYVEVNMQKRRAIAEYKLSEYARQDSKNNLHVGSRSVPLTLTVFPRMGCPDFINIKDPWNHKNAASRSLFLPDEVINRHVRFPNLTASIRTRRGEKVCMNVPMYKDIATPETDDSIYDRDWFLPEDKEAKLASKPGFIYMDSMGFGMGCSCLQVTFQAPNINKARYLYDALVNFAPIMLAFSAAAPAFKGWLADQDVRWNVISGAVDDRTPKERGVAPLLPKYNKNGFGGIAKDVQDKVLEIPKSRYSSVDLFLGGSKFFNRTYNDTNVPINEKVLGRLLENDKAPLDYDLAKHFAHLYIRDPVSTFEELLNQDNKTSSNHFENIQSTNWQTLRFKPPTQQATPDKKDSPGWRVEFRPFEVQLLDFENAAYSVLIYLIVDSILTFSDNINAYIHMSKVWENMKIAHHRDAILFEKFHWKKSFRNDTDVETEDYSISEIFHNPENGIFPQFVTPILCQKGFVTKDWKELKHSSKHERLYYYLKLISDRASGELPTTAKFFRNFVLQHPDYKHDSKISKSINYDLLSTCDRLTHLDDSKGELTSFLGAEIAEYVKKNKPSIESKC,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.08278537031645,,s_d2a154f093232cf2a5b9fc7f,test
catpreddb_km_km_e8dfcdd9f61f5f,catpred_iteration1_km,km,A0A0H2URG7,A0A0H2URG7,MTIYNINLGIGWASSGVEYAQAYRAGVFRKLNLSSKFIFTDMILADNIQHLTANIGFDDNQVIWLYNHFTDIKIAPTSVTVDDVLAYFGGEESHREKNGKVLRVFFFDQDKFVTCYLVDENKDLVQHAEYVFKGNLIRKDYFSYTRYCSEYFAPKDNVAVLYQRTFYNEDGTPVYDILMNQGKEEVYHFKDKIFYGKQAFVRAFMKSLNLNKSDLVILDRETGIGQVVFEEAQTAHLAVVVHAEHYSENATNEDYILWNNYYDYQFTNADKVDFFIVSTDRQNEVLQEQFAKYTQHQPKIVTIPVGSIDSLTDSSQGRKPFSLITASRLAKEKHIDWLVKAVIEAHKELPELTFDIYGSGGEDSLLREIIANHQAEDYIQLKGHAELSQIYSQYEVYLTASTSEGFGLTLMEAIGSGLPLIGFDVPYGNQTFIEDGQNGYLIPSSSDHVEDQIKQAYAAKICQLYQENRLEAMRAYSYQIAEGFLTKEILEKWKKTVEEVLHD,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,CC(O)=N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5566373462321753,,s_0d94cf527db43e1aa0a2a3ce,test
catpreddb_km_km_e904160f11613c,catpred_iteration1_km,km,O86309,O86309,MAMDLGGYLTRIGLDGRPRPDLGTLHAIVAAHNRSIPFENLDPLLGIPVADLSAEALFAKLVDRRRGGYCYEHNGLLGYVLEELGFEVERLSGRVVWMRADDAPLPAQTHNVLSVAVPGADGRYLVDVGFGGQTLTSPIRLEAGPVQQTRHEPYRLTRHGDDHTLAAQVRGEWQPLYTFTTEPRPRIDLEVGSWYVSTHPGSHFVTGLTVAVVTDDARYNLRGRNLAVHRSGATEHIRFDSAAQVLDAIVNRFGIDLGDLAGRDVQARVAEVLDT,Nc1ccc(O)c(C(=O)O)c1,Nc1ccc(O)c(C(=O)O)c1,Nc1ccc(O)c(C(=O)O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.6020599913279624,,s_ff97f3ec84655201ff87cf9f,test
catpreddb_km_km_e91cb3cafe94a8,catpred_iteration1_km,km,P80456,P80456,MEPAPELLFYVNGRKVVEKQVDPETMLLPYLRKKLRLTGTKYGCGGGGCGACTVMISRYNRVTKKIRHYPVNACLTPICSLYGAAVTTVEGIGSTTTRLHPVQERIAKFHGTQCGFCTPGMVMSMYALLRNHPEPTLDQLADALGGNLCRCTGYRPIIEAYKTFCKTSDCCQNKENGFCCLDQGINGLPEVEEENQTRPNLFSEEEYLPLDPTQELIFPPELMTMAEKQPQRTRVFSGERMMWISPVTLKALLEAKSTYPQAPVVMGNTSVGPGVKFKGIFHPVIISPDSIEELNVVSHTHSGLTLGAGLSLAQVKDILADVVQKVPEENAQTYRALLKHLGTLAGSQIRNMASLGGHIISRHLDSDLNPLLAVGNCTLNVLSKEGERQIPLDEQFLSRCPEADLKPQEILASVHIPYSRKWEFVLAFRQAQRKQNALAIVNSGMRVFFGEGDGIIRELAISYGGVGPTIICAKNSCQKLIGRSWNEEMLDTACRLILDEGEDMLITGGRHPYLGKYKAGFMNDGRIVALDVEHYSNGGCSLDESLLVIEMGLLKMENAYKFPNLRCRGWACRTNLPSNTAFRGFGFPQAGLITECCITEVAAKCGLSPEKVRAINFYKEIDQTPYKQEINAKNLTQCWNECLAKSSYFQRKVAVEKFNAENYWKQRGLAIIPFKYPRGLGSVAYGQAAALVHVYLDGSVLVTHGGIEMGQGVHTKMIQVVSRELKMPMSNVHLRGTSTETVPNTNASGGSVVADLNGLAVKDACQTLLKRLEPIINKNPQGTWKEWAQAAFDKSISLSATGYFRGYDSNIDWDKGEGHPFEYFVYGAACSEVEIDCLTGDHKTIRTDIVMDVGYSINPALDIGQVEGAFIQGMGLYTIEELHYSPQGILYSRGPNQYKIPAICDIPAELNVTFLPPSEKSNTLYSSKGLGESGVFMGCSVFFAIREAVCAARQARGLSAPWKLSSPLTPEKIRMACEDKFTKMIPRDKPGSYVPWNVPV,COc1ccc(C=O)cc1O,COc1ccc(C=O)cc1O,COc1ccc(C=O)cc1O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_04b9f3c94ca3b5e5a9ff9ad1,test
catpreddb_km_km_e92fe92c1bcdc8,catpred_iteration1_km,km,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1O,COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1O,COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1O>>,public_strict_iteration1_fulltrue_msa,,-1.7958800173440752,,s_bae6cc38bc66160b71e73176,test
catpreddb_km_km_e93d78d769eabe,catpred_iteration1_km,km,Q6M996,Q6M996,MPSAESTPRTLYDKVFQAHIVDEKLDGTILLYIDRHLVHEVTSPQAFEGLENAGRQVRRPDCTLATTDHNVPTTSRKALKDIASFIKEDDSRTQCVTLEENVKKFGITYFGLSDKRQGIVHVIGPEQGFTLPGTTVVCGDSHTSTHGAFGALAFGIGTSEVEHVLATQCLITKRSKNMRVQVDGELAPGVSSKDVILHVIGQIGTAGGTGAVIEFCGSVIRSLSMEARMSICNMSIEAGARAGMVAPDEITFEYLKGRPLAPRYGSEEWNKAVTYWKSLASDPDAKYDIDVFIDGKDIIPTVTWGTSPEDVVPITGVVPDPETFATEGKKAAGRRMIEYMGLVPGTPMEDIEVDKVFIGSCTNSRIEDLRAAAQVVKGKKIAANIKRALIVPGSGLVKDQAEAEGLDKIFQEAGFEWREAGCSMCLGMNPDILSPKERCASTSNRNFEGRQGAQGRTHLMSPVMAAAAAIVGKLADVRKLTDYKSSPHVEAAVIPETTSTAKAHTDERIEEDDVEKDKLADQPQDSSPQVNTSVSKSSAGLPKFTNLKGIAAPMEKANIDTDAIIPKQFLKTIKRTGLGSALFYEMRYNPDGSENPNFVLNREPYRSAKIIVCTGANFGCGSSREHAPWALNDFGVKSVIAPSFADIFFNNSFKNGMLPIAIKDQAALERVHAEAAAGREIEIDLPNQLIKDADGNTLCEFEVEEFRKHCLVNGLDDIGLTMQMEDKIAEYEAKMSQQTPWLDGRAYLKRKGQGGKLVAKAVPVPKTNRGEEKKEPLEW,CC(C)C(C(=O)[O-])C(O)C(=O)O,CC(C)C(C(=O)[O-])C(O)C(=O)O,CC(C)C(C(=O)[O-])C(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.1079053973095196,,s_3253321b5e86d1f4e5424852,test
catpreddb_km_km_e979fdfbed621c,catpred_iteration1_km,km,A0A841A5T7,A0A841A5T7,MAQERVALVTGGTRGIGAAISKRLKDKGYKVAANYGGNDEAANAFKAETGIPVFKFDVGDLASCEAGIKAIEAEVGPIDILVNNAGITRDGAFHKMTFEKWQAVIKTNLDSMFTCTRPLIEGMRSRNFGRIIIISSINGQKGQAGQTNYSAAKAGVIGFAKALAQESASKGVTVNVVAPGYIATEMVMAVPEDIRNKIISTIPTGRLGEADEIAHAVEYLASDEAGFVTGSTLTINGGQHFV,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.744727494896694,,s_a9fe2bf93c0f5cd76f176392,test
catpreddb_km_km_e994eede7851aa,catpred_iteration1_km,km,P28037,P28037,MKIAVIGQSLFGQEVYCQLRKEGHEVVGVFTIPDKDGKADPLGLEAEKDGVPVFKFPRWRARGQALPEVVAKYQALGAELNVLPFCSQFIPMEVINAPRHGSIIYHPSLLPRHRGASAINWTLIHGDKKGGFTIFWADDGLDTGDLLLQKECEVLPDDTVSTLYNRFLFPEGIKGMVQAVRLIAEGTAPRCPQSEEGATYEGIQKKETAKINWDQPAEAIHNWIRGNDKVPGAWTEACGQKLTFFNSTLNTSGLSTQGEALPIPGAHRPGVVTKAGLILFGNDDRMLLVKNIQLEDGKMMPASQFFKGSASSDLELTEAELATAEAVRSSWMRILPNVPEVEDSTDFFKSGAASVDVVRLVEEVKELCDGLELENEDVYMATTFRGFIQLLVRKLRGEDDESECVINYVEKAVNKLTLQMPYQLFIGGEFVDAEGSKTYNTINPTDGSVICQVSLAQVSDVDKAVAAAKEAFENGLWGKINARDRGRLLYRLADVMEQHQEELATIEALDAGAVYTLALKTHVGMSIQTFRYFAGWCDKIQGATIPINQARPNRNLTLTKKEPVGVCGIVIPWNYPLMMLSWKTAACLAAGNTVVIKPAQVTPLTALKFAELTLKAGIPKGVVNILPGSGSLVGQRLSDHPDVRKIGFTGSTEVGKHIMKSCALSNVKKVSLELGGKSPLIIFADCDLNKAVQMGMSSVFFNKGENCIAAGRLFVEESIHNQFVQKVVEEVEKMKIGNPLERDTNHGPQNHEAHLRKLVEYCQRGVKEGATLVCGGNQVPRPGFFFQPTVFTDVEDHMYIAKEESFGPIMIISRFADGDVDAVLSRANATEFGLASGVFTRDINKALYVSDKLQAGTVFINTYNKTDVAAPFGGFKQSGFGKDLGEAALNEYLRIKTVTFEY,N=c1nc(O)c2cc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2[nH]1,N=c1nc(O)c2cc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2[nH]1,N=c1nc(O)c2cc(CN(C=O)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)ccc2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.2365720064370627,,s_e9083d4b047cf72b001f9806,test
catpreddb_km_km_e9ab31f3ba1b0e,catpred_iteration1_km,km,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=COC(=O)CCC,C=COC(=O)CCC,C=COC(=O)CCC>>,public_strict_iteration1_fulltrue_msa,,1.3010299956639813,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_km_km_e9ab8158633501,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C>>,public_strict_iteration1_fulltrue_msa,,-3.096486929383532,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_e9c3666127ef01,catpred_iteration1_km,km,A0A533I0Q4,A0A533I0Q4,MARHLITSALPYINGIKHLGNLVGSQLPADLYARYLRGRGHEVMFICATDEHGTPAELAAAKTGEPVDVYCARMHAEQSKLAAGFGLSFDHYGRSSSAQNRQLTQHFAGKLDQEGLIREVSEKQVYSIDDGRFLPDRYIEGTCPNCGYEKARGDQCENCTKQLDPTDLINPHSTISGSTNLEVRETKHLYLRQSAMKDQIAAWIDSKTDWPVLTTSIAKKWLFDGDGLQDRGITRDLDWGVPVQKGDQPWPGMEGKVFYVWFDAPIEYIGATAEWADANGGDWERWWRTDKGAGDVTYTQFMGKDNVPFHTLGFPTTIMGSGEPWKLVDYIKSFNYLTYDGGQFSTSQGRGVFMDDALSLLPADYWRWWLLSHAPESGDSEFTWENFQQSVNKDLADVLGNFVSRITKFCRSKFGETVPEGGEWGEAERELAAALTARIRAYEAFMDRMEVRKAAGELRAIWVLGNEYLQSAAPWATFKEDPEKAAMQVRLGLNLIALYASLSAPFITFTAATLREAMNSSDTWPDDVDAALTALPPGHAFTVPDNLFAKITDEQREEWTERFKGTRA,CCCC[C@H](N)C(=O)O,CCCC[C@H](N)C(=O)O,CCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.519782403548833,,s_9dbf85e386cda9fc02f76311,test
catpreddb_km_km_e9c666d06ece32,catpred_iteration1_km,km,Q93P60,Q93P60,MRIGIFSEAYLPLISGVVTSVVNLKEGLEALGHEVYVITPIPSKDKFENDPSVIRIPGWVIPRKSLKGFRLVLFVKRYVRKMRKLKLDVVHIHTEFSMGKLGLAVAKKERIPSVYTLHTSYQDYTHYVSKLLTRFAPNAAKKLAGKINNQYTKNCHMTIVPTKKIYDKMIRLKHDGEFTIIPSGINLKPFYKSSYTSEQVQALKDKLGIRNDEFVAILVARIAKEKSIGDLVEAFVEFYKSYPNSRFIIIGDGPDKPVLDKLIDSKKASKYINTLGFVKNAEVGLYYQIADVFLNASTTETQGLTYVEALAASLPIIVRYDDVFDAFVEDGKNGIFFNKNEELVKHLIHIRQNPEILGTLSKNAEISTKPYAKEVYAKSCETLYLDLIDKNNKKLNKK,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3990936641401061,,s_5c6ba7758336704cda1257e1,test
catpreddb_km_km_e9d3eddb664fcd,catpred_iteration1_km,km,A0A172WCE4,A0A172WCE4,MANNSLEQKAEQVLAPLRLSKEKLQDLSKTFSDELLRGLEMHKRHGLKWVPEECSLRMLDSCVSEIPTGNEKGVFYALDFGGTNVRAVRCELLGGGRIRSQQFLKNLYECGGEIDLMARETSASQLFDVLAGCVGELVEENNEKELLKKKAAKLGFTFSFPCAQRSLNNSVLESWTKGFATGHDTDDPVVGKDVVPLLAAAFARQGLGLECEAVVNDTVGTLLSCAYQKGPGGPPCTVGVILGTGANCCYWEPQAAAFGYRGAVVNVECGNFNKNLPTTPADEAIDNKSPNKKHQLFEKMISGFYLGELVRLLTLEIFGAAAPAKAREEFSFDAKQAAVLAASLMPGKEEDPALASSCKVLLKESWGWDLDAAALKVMRQIGFAVFDRSAALAAVSIAVLVQRTRSLETDGGVTVAVDGSLYVRNEWYGLRIRTFLKELLGEKVDKVFLRAADDGSGKGAAICVAALH,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1739251972991735,,s_6a41f9ca86cba24130c89784,test
catpreddb_km_km_e9f2781bf51cf4,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,C[C@H](C(=O)O)[C@@](C)(O)C(=O)O,C[C@H](C(=O)O)[C@@](C)(O)C(=O)O,C[C@H](C(=O)O)[C@@](C)(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.561314327065113,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_ea6b3037f4efe6,catpred_iteration1_km,km,O08467,O08467,MNEIKGIERAVQVEVPRPRFLLLAFTDINGSLKGMEIPMERYEEAVEDGVSFDGSSIPGFEGIEDSDLIFKADPSTYAEIPWEGIGRVYGYIYKGDEPYQADPRGILKRVLERLEKEGLKAHIGPEPEFYIFKKNGTWELHIPDSGGYFDLVGLDKAREIRREIALYMPYLGLKPEVLHHEVGKAQHEIDFRYDEALRTADNIVSFKHVVKAVAELHGYYATFMPKPIYGFPGNGMHLHISLWKDGENVFIGEDGLSDTALHFIGGILKHAKALAALTNPTVNSYKRLVPGYEAPVYISWGYRNRSALIRVPAFKGSGARIEYRCPDPSANPYLALAGILMVGLDGIKKKVEPDSYVETNVYEMDDAERERLGIDTLPGSLGEALEELKKDKTVREALGGAYKNFIDYKEREWEEYIEYLSSRDIPIDTKKVTEWELERYFYV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.4471580313422192,,s_65f56d67ce4d07a65643cb4e,test
catpreddb_km_km_ea6f4c3254d709,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,N=C(N)NCCC[C@H](N=C(O)[C@H](CC1CCC(O)CC1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@H](CC1CCC(O)CC1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@H](CC1CCC(O)CC1)N=C(O)[C@H]1CCCN1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.2365720064370629,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_ea81c11d6a90cc,catpred_iteration1_km,km,B2DEU8,B2DEU8,MTEQTKAYFNTPVHERDPLVAQALDNERKRQQDQIELIASENIVSRAVLDALGHEMTNKTLEGYPGNRFHGGGQFVDVVEQAAIDRAKELFGCAYANVQPHSGTQANLAVFFLLLKPGDKVLSLDLAAGGHLSHGMKGNLSGRWFESHNYNVDPETEVIDYDEMERIAEEVRPTLLITGGSAYPRELDFERMGKIAKKVGAWFLVDMAHIAGLVAGGAHPSPFPHADIVTCTTTKTLRGPRGGLILTNNEAWFKKLQSAVFPGVQGSLHSNVLAAKAVCLGEALRPDFKVYAAQVKANARVLAETLIARGVRIVSGGTDTHIVLVDLSSKGLNGKQAEDLLARANITANKNPIPNDSPRPAEWVGMRLGVSAATTRGMKEDEFRTLGTVIADLIEAEAAGNADGVVEGAKAKVATLTAAFPVYAH,C[C@](N)(CO)C(=O)O,C[C@](N)(CO)C(=O)O,C[C@](N)(CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_b0a8d0913a1570c369eeda17,test
catpreddb_km_km_ea8491fa39f701,catpred_iteration1_km,km,P31012,P31012,MNYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDSGTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRGAENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLNIAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVRELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGCTMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEAMAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARRFCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTARFDYI,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.459539046188037,,s_42490cdd8db1f9831aa95f7b,test
catpreddb_km_km_ea9c7a9e5fb589,catpred_iteration1_km,km,B4Y0U1,B4Y0U1,MASLNKHIKIHEQCKVSPSSSSTQLSLPLTFFDYIWLRFHPVERIFFYTLPSSHSHPTFFFENLVPKLKSSLSLTLQHFLPLAGNIVWPSDSPKPFLQFNPNDDGVSLLLAQCDDDDVSFDKILEHNSPQEASLSRSFVPHLESSDSFASIISIQITLFPKNGFSIGISTHHAVLDGKSSTMFIKAWSSICKSLEEETQSLNLEPLLEPFLERELIEDPNDFENSFINTWNRISSHFDKSSVKSIKIMSSMFQPIIKDAVRETFELTREDLEKINKRVFSKWNNIEDGAQEKEQEQPKKLSTFVLTCAYVSVCIAKAIQQSESDKKQKFSIGFPVDCRSRLVPPIPKNYCGNCVSNHIVDTEPYDFTKEDGVVIVAKKIYGKTQEMDKGFLDGIETMMYKYMAMIGEGVKGIGVAGSTRFGVYEIDFGFGRPAKVEITSIDRGLTIGLTESKDLKGGVEIGLVLEKHVMDLFQAIFREGLCFD,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12>>,public_strict_iteration1_fulltrue_msa,,-0.5094796906366512,,s_e2910705b7cf72407b0b94ac,test
catpreddb_km_km_eaa5336da21d78,catpred_iteration1_km,km,M9Z1G5,M9Z1G5,MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMTMLDGGKERTKQQFEDLAKQAGFTVFKIVARAYYCWVIELYK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.9641701747471725,,s_7d63982e25dfe2080c9a3604,test
catpreddb_km_km_eaaddfe879e1c6,catpred_iteration1_km,km,B9WNA0,B9WNA0,MKRSVSKVWLNEDTPNDPYPLYAPSPLPPKRPGTIRVWVDGCFDMLHFGHANALRQARSMGDELFVGCHTDEEIIRHKGPPSMRQEERYEALRACKWVDAVIEGYPYVTRVEDMKRFEVDFVVHGDDISVDLNGRNSYQAIIDAGMFKAVRRTECISTTDLVGRMLLCVPSELLSDADKKLLDSEVARKRGPHYLTTSRKIAQFSNKLAPPVGATVVYVDGAFDLFHAGHIRFLQKARALGDYLIVGIHDDQLVRESKGEHFPIMSLNERALGVLSCRYVDDVVFGAPRGVTQEMIKILDIKIVACGTSSETRNCKGAFDVYEVPKSLNLFKVVESGSDLSTDMIVERVVKNHVVLLERQFLKHMKDSEAELRKPDVYRNVREV,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.8972233851165587,,s_46cd16ccbdd3cc5f9c1b714a,test
catpreddb_km_km_eac486c05f24b4,catpred_iteration1_km,km,Q837E1,Q837E1,MIEVTTPGKLFIAGEYAVVEPGHPAIIVAVDQFVTVTVEETTDEGSIQSAQYSSLPIRWTRRNGELVLDIRENPFHYVLAAIHLTEKYAQEQNKELSFYHLKVTSELDSSNGRKYGLGSSGAVTVGTVKALNIFYDLGLENEEIFKLSALAHLAVQGNGSCGDIAASCYGGWIAFSTFDHDWVNQKVATETLTDLLAMDWPELMIFPLKVPKQLRLLIGWTGSPASTSDLVDRVHQSKEEKQAAYEQFLMKSRLCVETMINGFNTGKISVIQKQITKNRQLLAELSSLTGVVIETEALKNLCDLAESYTGAAKSSGAGGGDCGIVIFRQKSGILPLMTAWEKDGITPLPLHVYTYGQKECKEKHESKR,CC(O)(CCOP(=O)(O)O)CC(=O)O,CC(O)(CCOP(=O)(O)O)CC(=O)O,CC(O)(CCOP(=O)(O)O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_ed6cf9a6ff1cd3608fbc3bfa,test
catpreddb_km_km_eac6ff9df88996,catpred_iteration1_km,km,A0A7J3M171,A0A7J3M171,MKTKLIASLGPSSSSKETIASMLNEGIFGFRINLAHGSVENWLSLIEKIREAESKLGKLASIVIDIIGPSLRLGDFPETLRVPAGSIVEFCFSDCCWEKLRIPFPRSEIFGNVSIGDIMLLDDGRSRFKVVDVSEECIKAEALTNCELKSRKSVVFQGKSFDLPYLNAEDAENLRVLKKFADYIGASLVRSSEDIETLRRFLKDIGCDAMIMCKIETREAIENLNKIIDASDAVLVARGDLGMNFGLEEVPRLQKTIVEKSLEIGKPVVIATQILESMIDNPVPTRAEVSDVANAVMEGVDTLMLTGETAVGKYPVEAVRWLRRIVERTEFYYTPLVNREQMAKSLKKRYAKGVVELAEDINGALAIYSMKGTTVFSIASLRPRINCYVAVPSEEVARKLLILWGINPKVLKADSYMEGLEKLYAHLVSSGSLVKGNIVVLTYGLKDREQIVKIRVVEDVSDS,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.5185139398778875,,s_4b2827685d88038272c0fb12,test
catpreddb_km_km_ead8e0692ce4b8,catpred_iteration1_km,km,F1T2J9,F1T2J9,MKKPQVLILGRIKESLPEYVSFQTKFECIRYTASSVDQLIKDFSSSLRNIQAIYGNWGGLASFGGFKGKLLEAAPRSLKIIAICQVGYDEFDLAAMKERGIILTNVPTPLAFEAVADLVLYNTLMAFRNFKLYENNMSPTLNNTNLLRNSLVNGQFDQETGKCIVPPIVGCAFADSVCERENLSPRGHNAVIIGFGRIGKLAAQRLNAIGMNIHYVKRTQCSPEVEQELSFPVTYHKSIEEAGRIADLLVICCPGTPSTKHLINSDTLDKMEKQIRIINIGRGTVIDENALVCGLKSDKVAFAALDVFEEEPFIHPGLIGRQDVHLTPHIGSSTSELFNYTAKQAMQNISTALYNTNEEMNLVV,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1,O=C(O)C(=O)Cc1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1938200260161128,,s_948648651b98b58a650dd2ca,test
catpreddb_km_km_eaeba6e696c040,catpred_iteration1_km,km,A0A5J6FK15,A0A5J6FK15,MFATGSATAAPATGSYTLKNAASGLCLGVPGASSSAGVQLAQAACNGAAGQTWKLTASGSGYTLTAAHSSKCAGVKDASTSAGKAVEQQNCGGAATQVWTLTPVSGSTYRVVNSNGGKCLNVKDGSTAAGALVQQNSCDSVTSKSWTFTAAGTTPTDPPTDPTDPPTDPPTDKPSWPAANGSQAVSSTMKVSGTYDGGMKRLYGSGDLGSGGQDEDQPALIELADGATLQNVILGAPAADGVHCSGACTIKNVWWEDVGEDAATFRGSSSSTVRTVDGGGARLAQDKVFQHNGAGTLVVKNFQVEDFGKLVRSCGNCSTQYGRHIQLQNIWVTTPGDSLVGINTNYGDTARFSDVTIYDDAGRDLDVCVKYKGTTSGEPSKIGSGADGTNCIYSSSDISYVD,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_c67ec5fee2328e582676d9cf,test
catpreddb_km_km_eaf643adea2694,catpred_iteration1_km,km,Q9WYR8,Q9WYR8,MIMEELAKKIEEEILNHVREPQIPDREVNLLDFGARGDGRTDCSESFKRAIEELSKQGGGRLIVPEGVFLTGPIHLKSNIELHVKGTIKFIPDPERYLPVVLTRFEGIELYNYSPLVYALDCENVAITGSGVLDGSADNEHWWPWKGKKDFGWKEGLPNQQEDVKKLKEMAERGTPVEERVFGKGHYLRPSFVQFYRCRNVLVEGVKIINSPMWCVHPVLSENVIIRNIEISSTGPNNDGIDPESCKYMLIEKCRFDTGDDSVVIKSGRDADGRRIGVPSEYILVRDNLVISQASHGGLVIGSEMSGGVRNVVARNNVYMNVERALRLKTNSRRGGYMENIFFIDNVAVNVSEEVIRINLRYDNEEGEYLPVVRSVFVKNLKATGGKYAVRIEGLENDYVKDILISDTIIEGAKISVLLEFGQLGMENVIMNGSRFEKLYIEGKALLK,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5C(=O)O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.619788758288394,,s_cd66f311dc99b60466f8e9b2,test
catpreddb_km_km_eb21eb1cc226f6,catpred_iteration1_km,km,A0A5J6FK15,A0A5J6FK15,MFATGSATAAPATGSYTLKNAASGLCLGVPGASSSAGVQLAQAACNGAAGQTWKLTASGSGYTLTAAHSSKCAGVKDASTSAGKAVEQQNCGGAATQVWTLTPVSGSTYRVVNSNGGKCLNVKDGSTAAGALVQQNSCDSVTSKSWTFTAAGTTPTDPPTDPTDPPTDPPTDKPSWPAANGSQAVSSTMKVSGTYDGGMKRLYGSGDLGSGGQDEDQPALIELADGATLQNVILGAPAADGVHCSGACTIKNVWWEDVGEDAATFRGSSSSTVRTVDGGGARLAQDKVFQHNGAGTLVVKNFQVEDFGKLVRSCGNCSTQYGRHIQLQNIWVTTPGDSLVGINTNYGDTARFSDVTIYDDAGRDLDVCVKYKGTTSGEPSKIGSGADGTNCIYSSSDISYVD,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4C(=O)O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_c67ec5fee2328e582676d9cf,test
catpreddb_km_km_eb36c2825d9861,catpred_iteration1_km,km,P35623,P35623,MAAPVNKAPRDADLWSLHEKMLAQPLKDNDVEVYNIIKKESNRQRVGLELIASENFASRAVLEALGSCLNNKYSEGYPGQRYYGGTEFIDELEVLCQKRALQVYGLDPECWGVNVQPYSGSPANFAVYTALVEPHGRIMGLDLPDGGHLTHGFMTDKKKISATSIFFESMPYKVNPDTGYINYDQLEENARLFHPRLIIAGTSCYSRNLDYARLRKIADDNGAYLMADMAHISGLVAAGVVPSPFEHCHVVSTTTHKTLRGCRAGMIFYRKGVRSVDPKTGKETRYNLESLINSAVFPGLQGGPHNHAIAGVAVALKQAMTPEFRAYQRQVVANCRALAEALMGLGYRVVTGGSDNHLILVDLRSKGTDGGRAEKVLEACSIACNKNTCPGDKSALRPSGLRLGTPALTSRGLLEEDFRKVAHFIHRGIELTLQIQDAVGVKATLKEFMEKLAGAEEHQRAVTALRAEVESFATLFPLPGLPGF,NC(CO)C(=O)O,NC(CO)C(=O)O,NC(CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_07399be96e3bf35be969a896,test
catpreddb_km_km_eb3d0e444068d6,catpred_iteration1_km,km,P36537,P36537,MALKWTTVLLIQLSFYFSSGSCGKVLVWAAEYSLWMNMKTILKELVQRGHEVTVLASSASILFDPNDSSTLKLEVYPTSLTKTEFENIIMQLVKRLSEIQKDTFWLPFSQEQEILWAINDIIRNFCKDVVSNKKLMKKLQESRFDIVFADAYLPCGELLAELFNIPFVYSHSFSPGYSFERHSGGFIFPPSYVPVVMSKLSDQMTFMERVKNMLYVLYFDFWFQIFNMKKWDQFYSEVLGRPTTLSETMRKADIWLMRNSWNFKFPHPFLPNVDFVGGLHCKPAKPLPKEMEEFVQSSGENGVVVFSLGSMVSNMTEERANVIATALAKIPQKVLWRFDGNKPDALGLNTRLYKWIPQNDLLGHPKTRAFITHGGANGIYEAIYHGIPMVGIPLFFDQPDNIAHMKAKGAAVRVDFNTMSSTDLLNALKTVINDPSYKENIMKLSRIQHDQPVKPLDRAVFWIEFVMRHKGAKHLRVAAHNLTWFQYHSLDVIGFLLACVATVLFIITKCCLFCFWKFARKGKKGKRD,CN1C(=O)CC[C@H]1c1cccnc1,CN1C(=O)CC[C@H]1c1cccnc1,CN1C(=O)CC[C@H]1c1cccnc1>>,public_strict_iteration1_fulltrue_msa,,-1.5559552040819238,,s_3f4ea30f4bd9035b5a50f6df,test
catpreddb_km_km_eb581ef279c34f,catpred_iteration1_km,km,Q9ZUC1,Q9ZUC1,MNAALATTTATTPVLRRETPLLHYCSLTTKSPVYQINRVRFGSCVQTVSKKFLKISASSQSASAAVNVTADASIPKEMKAWVYSDYGGVDVLKLESNIVVPEIKEDQVLIKVVAAALNPVDAKRRQGKFKATDSPLPTVPGYDVAGVVVKVGSAVKDLKEGDEVYANVSEKALEGPKQFGSLAEYTAVEEKLLALKPKNIDFAQAAGLPLAIETADEGLVRTEFSAGKSILVLNGAGGVGSLVIQLAKHVYGASKVAATASTEKLELVRSLGADLAIDYTKENIEDLPDKYDVVFDAIGMCDKAVKVIKEGGKVVALTGAVTPPGFRFVVTSNGDVLKKLNPYIESGKVKPVVDPKGPFPFSRVADAFSYLETNHATGKVVVYPIP,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_ce06b3ff7ba73852bad56fa0,test
catpreddb_km_km_eb61b870027403,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,NC(C(=O)O)[P-](=O)(=O)O,NC(C(=O)O)[P-](=O)(=O)O,NC(C(=O)O)[P-](=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.1818435879447726,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_eb62246193031e,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.652869104947258,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_eb6810cdb30ea3,catpred_iteration1_km,km,Q8DQ16,Q8DQ16,MKIGIIAAMPEELAYLVQHLDNTQEQVVLGNTYHTGTIASHEVVLVESGIGKVMSAMSVAILADHFQVDALINTGSAGAVAEGIAVGDVVIADKLAYHDVDVTAFGYAYGQMAQQPLYFESDKTFVAQIQESLSQLDQNWHLGLIATGDSFVAGNDKIEAIKSHFPEVLAVEMEGAAIAQAAHTLNLPVLVIRAMSDNANHEANIFFDEFIIEAGRRSAQVLLAFLKALD,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.8860566476931635,,s_c7b28f8ba09847a017ee5c8c,test
catpreddb_km_km_eb7a4dd7a1d4a7,catpred_iteration1_km,km,A0A8B4RA61,A0A8B4RA61,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,O=Cc1ccccc1,O=Cc1ccccc1,O=Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_km_km_eb7da91361c831,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(Cl)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(Cl)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)c1ccc(Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_eba4a5c5a05a6d,catpred_iteration1_km,km,Q0RVH7,Q0RVH7,MVIKFGYKASAEQFGPRELVELGVLAEAHGMDSATVSDHFQPWRHEGGHAPFSLAWMTAVGERTSRLQLGTSVMTPTFRYNPAVVAQAFATMGCLYPGRIMLGVGTGEALNEIATGFAGEWPEFKERFARLREAVALMRELWLGDRVDFEGNYYKTVGASIYDVPEGGIPVYIAAGGPVVARYAGRSGDGFICTSGKGMELYTEKLMPAVAEGAEKADRDVAEIDKMIEIKISYDTDPELALENTRFWAPLSLTPEQKHSIDDPIEMERAADALPIEQVAKRWIVASDPDEAVAQIRPYLDAGLNHLVFHAPGHDQKRFLELFQRDLAPRLRGLA,C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)nc(O)c-2cc2ccc(O)cc21)C(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)nc(O)c-2cc2ccc(O)cc21)C(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,C[C@H](OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2nc(=O)nc(O)c-2cc2ccc(O)cc21)C(O)=N[C@@H](CCC(O)=N[C@@H](CCC(=O)O)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.5850266520291822,,s_a2978e101bff5e0cac5ae56c,test
catpreddb_km_km_ebb10195a552ef,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.1760912590556812,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_ebb13aefe39135,catpred_iteration1_km,km,P0AFG8,P0AFG8,MSERFPNDVDPIETRDWLQAIESVIREEGVERAQYLIDQLLAEARKGGVNVAAGTGISNYINTIPVEEQPEYPGNLELERRIRSAIRWNAIMTVLRASKKDLELGGHMASFQSSATIYDVCFNHFFRARNEQDGGDLVYFQGHISPGVYARAFLEGRLTQEQLDNFRQEVHGNGLSSYPHPKLMPEFWQFPTVSMGLGPIGAIYQAKFLKYLEHRGLKDTSKQTVYAFLGDGEMDEPESKGAITIATREKLDNLVFVINCNLQRLDGPVTGNGKIINELEGIFEGAGWNVIKVMWGSRWDELLRKDTSGKLIQLMNETVDGDYQTFKSKDGAYVREHFFGKYPETAALVADWTDEQIWALNRGGHDPKKIYAAFKKAQETKGKATVILAHTIKGYGMGDAAEGKNIAHQVKKMNMDGVRHIRDRFNVPVSDADIEKLPYITFPEGSEEHTYLHAQRQKLHGYLPSRQPNFTEKLELPSLQDFGALLEEQSKEISTTIAFVRALNVMLKNKSIKDRLVPIIADEARTFGMEGLFRQIGIYSPNGQQYTPQDREQVAYYKEDEKGQILQEGINELGAGCSWLAAATSYSTNNLPMIPFYIYYSMFGFQRIGDLCWAAGDQQARGFLIGGTSGRTTLNGEGLQHEDGHSHIQSLTIPNCISYDPAYAYEVAVIMHDGLERMYGEKQENVYYYITTLNENYHMPAMPEGAEEGIRKGIYKLETIEGSKGKVQLLGSGSILRHVREAAEILAKDYGVGSDVYSVTSFTELARDGQDCERWNMLHPLETPRVPYIAQVMNDAPAVASTDYMKLFAEQVRTYVPADDYRVLGTDGFGRSDSRENLRHHFEVDASYVVVAALGELAKRGEIDKKVVADAIAKFNIDADKVNPRLA,Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(=N)[nH]1,Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(=N)[nH]1,Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.8013429130455774,,s_bf43e86a2f3fadbc4bd9c8e6,test
catpreddb_km_km_ebb9a8ecbb5825,catpred_iteration1_km,km,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCC(=O)NCCO>>,public_strict_iteration1_fulltrue_msa,,-1.75448733218585,,s_d02e45ef02098b997a7f78aa,test
catpreddb_km_km_ebc5996fe580bd,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CCC(=O)CC,CCC(=O)CC,CCC(=O)CC>>,public_strict_iteration1_fulltrue_msa,,-3.5917600346881504,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_ebc88fe968717e,catpred_iteration1_km,km,Q6WUC2,Q6WUC2,MDTAEERLKGQAEIWEHMFAFVDSMALKCAVELGIPDIINSHGRPVTISEIVDSLKTNTPSSSPNIDYLTRIMRLLVHKRLFTSELHQESNQLLYNLTRSSKWLLKDSKFNLSPLVLWETNPILLKPWQYLGKCAQEKSSPFERAHGCEIWDLALADPKFNNFLNGAMQCSTTTIINEMLLEYKDGFSGIAGSLVDVGGGTGSIIAEIVKAHPHIQGINFDLPHVVATAAEFPGVKHVGGDMFVDIPEADAVIMKWILHDWSDEDCTIILKNCYRAIRKKKNGKVIIVDCVLRPDGNDLFDKMGLIFDVLMMAHTTAGKERTEAEWKILLNNAGFPRYNVIRTPAFPCIIEAFPE,COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1O,COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1O,COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CCN2C)cc1O>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_bae6cc38bc66160b71e73176,test
catpreddb_km_km_ebf42fc3bfa93b,catpred_iteration1_km,km,P51853,P51853,MAMITGGELVVRTLIKAGVEHLFGLHGAHIDTIFQACLDHDVPIIDTRHEAAAGHAAEGYARAGAKLGVAGHGGRGIYQCGHAHCQRLAGSQGRCIPHPGSGALRDDETNTLQAGIDQVAMAAPITKWAHRVMATEHIPRLVMQAIRAALSAPRGPVLLDLPWDILMNQIDEDSVIIPDLVLSAHGARPDPADLDQALALLRKAERPVIVLGSEASRTARKTALSAFVAATGVPVFADYEGLSMLSGLPDAMRGGLVQNLYSFAKADAAPDLVLMLGARFGLNTGHGSGQLIPHSAQVIQVDPDACELGRLQGIALGIVADVGGTIEALAQATAQDAAWPDRGDWCAKVTDLAQERYASIAAKSSSEHALHPFHASQVIAKHVDAGVTVVADGALTYLWLSEVMSRVKPGGFLCHGYLGSMGVGFGTALGAQVADLEAGRRTILVTGDGSVGYSIGEFDTLVRKQLPLIVIIMNNQSWGATLHFQQLAVGPNRVTGTRLENGSYHGVAAAFGADGYHVDSVESFSAALAQALAHNRPACINVAVALDPIPPEELILIGMDPFA,CC=O,CC=O,CC=O>>,public_strict_iteration1_fulltrue_msa,,0.7781512503836436,,s_1f8beb386de84deb2f180511,test
catpreddb_km_km_ec25b2fa40485d,catpred_iteration1_km,km,A0A6A5PPK7,A0A6A5PPK7,MRISSTLLQRSKQLIDKYALYVPKTGSFPKGFEVGYTASGVKKNGSLDLGVILNTNKSRPSTAAAVFTTNKFKAAPVLTSKKVLETARGKNINAIVVNSGCANSVTGDLGMKDAQVMIDLVNDKIGQKNSTLVMSTGVIGQRLQMDKISTGINKIFGEEKFGSDFNSWLNVAKSICTTDTFPKLVTSRFKLPSGTEYTLTGMAKGAGMICPNMATLLGFIVTDLPIESKALQKMLTFATTRSFNCISVDGDMSTNDTICMLANGAIDTKEINEDSKDFEQVKLQVTEFAQRLAQLVVRDGEGSTKFVTVNVKNALHFEDAKIIAESISNSMLVKTALYGQDANWGRILCAIGYAKLNDLKSLDVNKINVSFIATDNSEPRELKLVANGVPQLEIDETRASEILALNDLEVSVDLGTGDQAAQFWTCDLSHEYVTINGDYRS,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8573324964312685,,s_c25779cf9234d643469dc8ec,test
catpreddb_km_km_ec468b43f4b88b,catpred_iteration1_km,km,P17516,P17516,MDPKYQRVELNDGHFMPVLGFGTYAPPEVPRNRAVEVTKLAIEAGFRHIDSAYLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCTFFQPQMVQPALESSLKKLQLDYVDLYLLHFPMALKPGETPLPKDENGKVIFDTVDLSATWEVMEKCKDAGLAKSIGVSNFNCRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSKDIVLVAHSALGTQRHKLWVDPNSPVLLEDPVLCALAKKHKQTPALIALRYQLQRGVVVLAKSYNEQRIRENIQVFEFQLTSEDMKVLDGLNRNYRYVVMDFLMDHPDYPFSDEY,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O>>,public_strict_iteration1_fulltrue_msa,,-2.206209615309181,,s_ed85f0fa63be752b111a2eb4,test
catpreddb_km_km_ec4a0d065629de,catpred_iteration1_km,km,O63067,O63067,MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_d215edcf3d0b04ec0a52bce0,test
catpreddb_km_km_ec577f5318620a,catpred_iteration1_km,km,O32153,O32153,MKLIAVGDNVVDYYQDQETFYPGGNALNVAVLAKRLGHESSYIGIVGNDEAAAHLLNVLKLEQVNADYIRQAHGENGMAIVTLDEQGDRIFVRSNKGGIQSRLRLAFQEKDVSFISGHDLLHTSVYSRLENDLPQLCGLVPVSFDFSTNREDDYLRRVCPYVTYAFFSGSDLSESECGELAKTAHGYGAKMVCMTRGGQGAILSAGDRVYHQPIVEADIIDTLGAGDSFIAGFLTAFCVKQDITYALRQAAETAAKTCGVYGAFGYGYPYRLEDGGSSEKTRIL,O=C(O)CN=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)CN=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO,O=C(O)CN=C(O)CNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO>>,public_strict_iteration1_fulltrue_msa,,0.7781512503836436,,s_f78472e3d821f1ad4187bfd6,test
catpreddb_km_km_ec60ce2d95150d,catpred_iteration1_km,km,F8KAY7,F8KAY7,MSRFIRASQRRTLLATLIAATLAQPLLAAESLDSKPASAITAAKNAEVLKNLPFADREEFEAAKRGLIAPFSGQIKNAEGQVVWDMGAYQFLNDKDAADTVNPSLWHQAQLNNIAGLFEVMPKLYQVRGLDPANMTIIEGDSGLVLIDTLTTAETARAALDLYFQHRPKKPIVAVVYSHSHIDHFGGARGIIDEADVKAGKVKVFAPSGFMEHAVSENILAGTAMARRGQYQSGVMVPRGAQAQVDSGLFKTTATNATNTLVAPNVLIEKPYERHTVDGVELEFQLTLGSEAPSDMNIYLPQFKVLNTADNAPPAMHNLLTPRGAEVRDAKAWAGYIDASLEKYGDRTDVLIQQHNWPVWGGDKVRTYLADQRDMYAFLNNRALNLMNKGLTLHEIAAEVSKLPGELDRKWYLRSYYGALSTNLRAVYQRYLGFYDGNPANLDPFPPVEAGKRYVEAMGGADAVLKQMRAAIDKGDYRWAVQLGNHLVFADPANKDARALQADAMEQLGYQTENALWRNMYMTGAMELRHGVPTYDSRGKSEMGRALTPDMFFDLLAIRLDTDKAVGHDMTLNWVFEDLKQDIALTLRNGVLTQRVGSLNPKADVTVKLTKPTLDQIAARKLDLPTAIKQGTVKLDGDGKKLGEFFGLLDSFSPKFNIVEPLE,CCCCCC[C@@H](C)OS(=O)(=O)O,CCCCCC[C@@H](C)OS(=O)(=O)O,CCCCCC[C@@H](C)OS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8210230527068306,,s_216fa5d4fb38cba1bff072cb,test
catpreddb_km_km_ec73470280f10e,catpred_iteration1_km,km,A0A1W6ALG8,A0A1W6ALG8,MTRARITIDRDFTIADVPRRLFGSFVEHMGRCVYTGIFEPGHPQADERGFRRDVLQLVKELGPTVVRYPGGNFVSGYLWEDGVGPVDQRPRRLDGAWHTIETNAFGLHEFVEWAGEAGVEVMEAVNLGTRGVEEARALVEYANHPGGTYWSDLRRRNGAADPFDIRLWCLGNELDGPWQIGHKTAHEYGRLAQETAKAMRLVDPTIELVAVGSSNRQMPTFGTWEHTVLTHAYEEVDYISMHAYYQERDGDAASFLAEGVDMDAFIDGVIATIDAVKAAGKHRKQVDISFDEWNVWDQDRYNDHEAREIEAAGWREHPRLIEDTYDVADAVVVGTLLHSLLRHGDRVRIANQAQLVNVIAPIRSEEGGPAWRQSIFWPFARMARLAQGRILRLAVDSSQTSTRKFGDVDAIDAAATWDEASGTIALFVANRSLEEAGDVTVDLRGLAATAIRSAEVLTVPEGGDRRSANVADDQDRVGLVPLRDAGIADGAVRATLPPMSWAVIVLDAATA,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.1549019599857432,,s_558d5688a0b97b4357ca1b78,test
catpreddb_km_km_ec8e6ce5a224c2,catpred_iteration1_km,km,Q1M0X9,Q1M0X9,MLRYLVLASLIACSLSAVPKAKRPRLDGRIVGGRPADIADYPYQLSFEYYGSHMCGASIISPNWVVTAAHCVDGVSASSATFRAGGSIRESGGSVHQATQLIANPNYDYYTIDFDVAVARVSPAFSYGTGVQPIPLASSEPSAGQIATVSGWGTTSEGGSTLPSQLQVVSVPIVSRSECNQAYSDYGGITDDMICAAEQQGGKDACQGDSGGPLVVNGQLAGIVSWGVGCAEQGYPGVYSNVASLKGFITEQTGVN,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_372186b78485d574b1ed8d53,test
catpreddb_km_km_eca40d36443115,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,N=c1nc(O)c2nc(O)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c2[nH]1,N=c1nc(O)c2nc(O)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c2[nH]1,N=c1nc(O)c2nc(O)n([C@H]3C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-4.091514981121351,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_eca63fddca2c82,catpred_iteration1_km,km,Q7M1E1,Q7M1E1,MIISSANDYREAARRRLPPFLFHYIDGGAYAEYTLKRNVEDLXWIALWQ,C[C@H](O)C(=O)O,C[C@H](O)C(=O)O,C[C@H](O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.080921907623926,,s_a5c1802125e6338d1d72fc4d,test
catpreddb_km_km_ecae5a2125ea93,catpred_iteration1_km,km,E9AC20,E9AC20,MSGVINDFLRRCLKKVAGKVQPLTVVQGNEGGDMDSIVGCIYLAMLFDKQPKFGFENPVPALNFPQEDFGLRNDVTNLFKELGIDASLLMSVQRGQIAHNLVDIAALNASVVLYDHNKLRENQSDLASRVVGVVDHHFDEQQYLKTASKLRVLRTVGSACTLVTELYRECGEDVVCPTLLTAPIVLDTVNFEPAQKKVTPEDIAAYEWLRAKEVADSADAAALFEKLSKWKDDVLALSVPQILRRDYKQFSFKARTQKGVMSAGTSSVPCACKQLEAHFSVDLIVAEAAKYVEQHQLDVLIVAFAGKVGGKHTREVAFCAKPDVISFFAPFVAEAPDGVSFTVITKCQTVDGSYEYASYSLSDPSISRKKLVPALSEFLAEGTRSLCE,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,1.7363965022766426,,s_67cd2544b3a1b907977b8455,test
catpreddb_km_km_ecca21fb7a2780,catpred_iteration1_km,km,Q9ZT84,Q9ZT84,MSSTLSDVFRSHPIHIPLSNPPDFKSLPDSYTWTPKDDLLFSASASDETLPLIDLSDIHVATLVGHACTTWGAFQITNHGVPSRLLDDIEFLTGSLFRLPVQRKLKAARSENGVSGYGVARIASFFNKKMWSEGFTVIGSPLHDFRKLWPSHHLKYCEIIEEYEEHMQKLAAKLMWFALGSLGVEEKDIQWAGPNSDFQGTQAVIQLNHYPKCPEPDRAMGLAAHTDSTLMTILYQNNTAGLQVFRDDVGWVTAPPVPGSLVVNVGDLLHILTNGIFPSVLHRARVNHVRSRFSMAYLWGPPSDIMISPLPKLVDPLQSPLYPSLTWKQYLATKATHFNQSLSIIRN,C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O,C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O,C=C1CC23CC1CCC2C12CCCC(C)(C(=O)O1)C2C3C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_4dd1c96c03c0ff5238a2e238,test
catpreddb_km_km_ecca2e394cd006,catpred_iteration1_km,km,A0A1C3HPU3,A0A1C3HPU3,MSPQTETKASVGFKAGVKDYKLNYYTPDYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVAGEENQYIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPNSYIKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEALFKSQAETGEIKGHYLNATAGTCEEMMKRAVFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHAGTVVGKLEGEREITLGFVDLLRDDFIEKDRSRGIYFTQDWVSLPGVLPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAREGNEIIREASKWSPELAAACEVWK,O=O,O=O,O=O>>,public_strict_iteration1_fulltrue_msa,,-0.4190346386125471,,s_f2e83abbe3a34ae645af5819,test
catpreddb_km_km_eccfa3ae4df0ad,catpred_iteration1_km,km,A0A168S2H6,A0A168S2H6,MTLSSVPLATSDIQIPEGARRNSTLICVPIMADSVDQMLGQIRKAKEVGGDLVEIRLDYLKNFSPRQDLQFLVKQSPLPTLVTYRPTWEGGQYDGDEGKRLDALRLAIELGADYIDVELQVAPEFINSIQGKTSGKVKIIVSSHNYQNTPSAEELGNLVARIQATGADIVKIATTALDITDCARIFQVLAHSQVPTIGIAMAERGLISRILSAKFGSYLTFGSLEAGVVSAPGQPTVKDLLDLYNFRQIGPDTKVHGVIGKPIGHSKSPHLYNSAFKSVGFNGIYLPLLVDSVKNFLATYSSPDFVGYSYTIPHKEDGLRCCDEIDPIAQAIGAISCMIRRPADGKLMGYNVDYLGAIAAIEEGLRASNGTTSVGSPLAGKLFVVIGAGGAGKALAYGGKEKGARVVVANRTFEKAKELASKVGGEAMTLAELENFHPEDGMILANTTSVGMKPNIDNTPLSKKALSRYSLVFDAIYTPKLTRLLREAQESGAIIVYGTEMFINQAFVQFERFTGLPAPKELIREVLVRNT,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1>>,public_strict_iteration1_fulltrue_msa,,-0.8332739444199482,,s_df020c31aa268a93cfbe76f2,test
catpreddb_km_km_ecde23fe1bf55a,catpred_iteration1_km,km,Q9SC14,Q9SC14,MEESMKQASVMENLRSVVFKESESLEGTCAKIRGYDFNNGIDYSQILKSMVSTGFQASNLGDAIETVNQMLDWRLSHEQVTEDCSQEEKNPTYRESIKCKIFLGFTSNLISSGVRDIIRYLVQHHMVDVIVTTTGGIEEDLIKCLADTFKGEFSLPGAELRSKGLNRIGNLLVPNDNYCKFEDWIIPIFDQMLEEQKAKNVLWTPSKLIMRLGKEINNESSYLYWAYKNDIPVFCPGLTDGSLGDMLYFHTFRNPGLIVDVVQDIRAINSEAVHANPRKTGMIILGGGLPKHHICNANMMRNGADYAVFINTAQEFDGSDSGARPDEAVSWGKIRGSAKSVKVHCDATIAFPLLVAETFAAKREQSAEPSS,NCCCCNCCCN,NCCCCNCCCN,NCCCCNCCCN>>,public_strict_iteration1_fulltrue_msa,,-1.585240959732719,,s_7475cd261f8d4e44a637ab04,test
catpreddb_km_km_ecdef467da53f2,catpred_iteration1_km,km,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,3.0211892990699383,,s_7aed539f1fd0d29a964f808a,test
catpreddb_km_km_ece7fddf2e97a5,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.2924298239020636,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_ece8d22efaae20,catpred_iteration1_km,km,Q70WQ8,Q70WQ8,MGLILWLEEITKKDHALVGGKGANLGEVSRLVRVPPGFVVTTEAFRAFLETTGLKSKISEVLKSVRGGSPEDYEKASETIREMIYREPMPREIADEIVRAYLKLSEKVGVKDVSVAVRSSATAEDIQEASFAGQQDTYLNVRGSENVIEHVKRVWASLYTARAIYYREQMGISHDNVSIAVVVQKLVNARSAGVMFTLDPTNGDTSKVVIEAAWGLGEGVVRGIVTPDEYVVDKNTLKIVERRISQKRLAVVRDERGLTKEVELPPEKSGAPALTDEEVIEYAKMALELERHYGHPLDIEFSVDSDVPFPQNLYVVQVRPETVWSRRAQPAEAKEAKAEGRVVVKGIAASPGVAVGRAKICLTLEDAKRKLQKGDILVTKMTDPDWVPYMRLASAIVTDEGGRTSHAAIVSRELGIPAVVGTGNATQVLRDGELYTVDGSKGVVLEGAAVQPQAKVAEAAQAAIAVPKEIILHIYRSIPTGTKVYMNLGEPDKIDEYKDLPFEGIGLMRIEFVITSWIGEHPLYLMSIGREDKFVDKMAEGVARVASAIYPRPVVVRFSDFKTNEYRSLQGGEKFEPEERNPMLGWRGVSRYVSLQYEKAFRLELRAIKKVREEMGLTNVWVMAPFVRTTWEAERFNRLLEEEGLVRDRDFKVWAMAEVPSVAFLVEEFAPYFDGFSIGSNDLTQLTLGVDRDNDFLVRINPKYFDEREMPVLKAIYELIQRAHRVGKTVSICGQGPSVYPQLVEFLVRAGIDSISVNPDAVLNTRILVASVEMKLLRERLDAIYRALYKVGDDEEFREIIKKVFGGLKY,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_410014a7bc89fe2e3625d9a2,test
catpreddb_km_km_ecea8d235cc9fa,catpred_iteration1_km,km,O29610,O29610,MQYEKVKPPENGEKIRYENGKLIVPDNPIIPYFEGDGIGKDVVPAAIRVLDAAADKIGKEVVWFQVYAGEDAYKLYGNYLPDDTLNAIKEFRVALKGPLTTPVGGGYRSLNVTIRQVLDLYANVRPVYYLKGVPSPIKHPEKVNFVIFRENTEDVYAGIEWPRGSEEALKLIRFLKNEFGVTIREDSGIGIKPISEFATKRLVRMAIRYAIENNRKSVTLVHKGNIMKYTEGAFRDWGYEVAKQEFGEYCITEDELWDKYGGKQPEGKIVVKDRIADNMFQQILTRTDEYDVIALPNLNGDYLSDAAAALIGGLGIAPGSNIGDGIGVFEPVHGSAPKYAGQNKVNPTAEILTGALMFEYIGWKDASEMIKKAVEMTISSGIVTYDIHRHMGGTKVGTREFAEAVVENLQSL,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.7825160557860935,,s_5d09c2f232622d7ffb91a1fc,test
catpreddb_km_km_ecf3609454292f,catpred_iteration1_km,km,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.7112541000813873,,s_3e77477216a36cf6ae48eafe,test
catpreddb_km_km_ecf73abe94546e,catpred_iteration1_km,km,B8RCD2,B8RCD2,MGSIEQKSRILVFGGTGYIGNFIVKACVAAGHPTYVYVRPMKPDHNPSKLDVLNEYKSLGVTIFEGELDEHEKLVDVLRQVDIVIVTLAIPQCHEQHKIIEAMKEAGNIKRFIPSEFGNDVDRISPLPPFQEGVCKIKKGVRRAAEKSGIPYTFVSSNSCGAYFVNFLLRPSDEKLRKVTVYGTGEAKFPLNYEKDIAEYTLRLATDPRAANSLVFYRPPKNIVSQLDLISSWEKKTGRTLEKTYVSEEEIIKLSQTASTVQDAVGTSILHSIFVKGEQMNFELKEDELEVSKLYPDYKYTSVDELLDIFLVDPPKPASAAFG,COc1cc(/C=C/COC(C)=O)ccc1O,COc1cc(/C=C/COC(C)=O)ccc1O,COc1cc(/C=C/COC(C)=O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.6382721639824072,,s_d920ecd05e5eb8e840713999,test
catpreddb_km_km_ed1f9c2200c769,catpred_iteration1_km,km,Q8TCD5,Q8TCD5,MARSVRVLVDMDGVLADFEAGLLRGFRRRFPEEPHVPLEQRRGFLAREQYRALRPDLADKVASVYEAPGFFLDLEPIPGALDAVREMNDLPDTQVFICTSPLLKYHHCVGEKYRWVEQHLGPQFVERIILTRDKTVVLGDLLIDDKDTVRGQEETPSWEHILFTCCHNRHLVLPPTRRRLLSWSDNWREILDSKRGAAQRE,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1,Nc1nc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.3617278360175929,,s_21da042eb93ff0876417f6bf,test
catpreddb_km_km_ed4de69352cf3c,catpred_iteration1_km,km,Q9SAH9,Q9SAH9,MLVDGKLVCVTGAGGYIASWIVKLLLERGYTVRGTVRNPTDPKNNHLRELQGAKERLTLHSADLLDYEALCATIDGCDGVFHTASPMTDDPETMLEPAVNGAKFVIDAAAKAKVKRVVFTSSIGAVYMNPNRDTQAIVDENCWSDLDFCKNTKNWYCYGKMLAEQSAWETAKAKGVDLVVLNPVLVLGPPLQSAINASLVHILKYLTGSAKTYANLTQVYVDVRDVALGHVLVYEAPSASGRYILAETALHRGEVVEILAKFFPEYPLPTKCSDEKNPRAKPYKFTTQKIKDLGLEFKPIKQSLYESVKSLQEKGHLPLPQDSNQNEVIIES,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1ccc(O)c(O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.2873502983727887,,s_b5f6d9163eaf383b66897a43,test
catpreddb_km_km_ed5f29cc6b161d,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1,CCOC(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)OCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_ed6ccf7bdfc999,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.067566542835737,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_ed6dc4ad55d862,catpred_iteration1_km,km,Q5TCS8,Q5TCS8,MTSQEKTEEYPFADIFDEDETERNFLLSKPVCFVVFGKPGVGKTTLARYITQAWKCIRVEALPILEEQIAAETESGVMLQSMLISGQSIPDELVIKLMLEKLNSPEVCHFGYIITEIPSLSQDAMTTLQQIELIKNLNLKPDVIINIKCPDYDLCQRISGQRQHNNTGYIYSRDQWDPEVIENHRKKKKEAQKDGKGEEEEEEEEQEEEEAFIAEMQMVAEILHHLVQRPEDYLENVENIVKLYKETILQTLEEVMAEHNPQYLIELNGNKPAEELFMIVMDRLKYLNLKRAAILTKLQGAEEEINDTMENDELFRTLASYKLIAPRYRWQRSKWGRTCPVNLKDGNIYSGLPDYSVSFLGKIYCLSSEEALKPFLLNPRPYLLPPMPGPPCKVFILGPQYSGKTTLCNMLAENYKGKVVDYAQLVQPRFDKARETLVENTIAEATAAAIKVVKEKLLRELQARKQAETALREFQRQYEKMEFGVFPMEATHSSIDEEGYIRIIIVGPPKSGKTTVAKKITSEYGLKHLSIGGALRYVLNNHPETELALMLNWHLHKGMTAPDELAIQALELSLMESVCNTAGVVIDGYPVTKHQMNLLEARSIIPMVIFELSVPSKEIFKRLLLEKENEQRLPYPLHNSAQIVAVNNVKYRKNIGEIRQYYQEQHQNWYVIDGFHSKWWVWNEVIKNVQMVNKYMQTYLERIKAGKAACIDKLCITPQELLSRLGEFEQFCPVSLAESQELFDCSATDSLEFAAEFRGHYYKMSSQEKLNKFLENPELYVPPLAPHPLPSADMIPKRLTLSELKSRFPKCAELQGYCPVTYKDGNQRYEALVPGSINYALEYHNRIYICENKEKLQKFLRSPLKYWEQKLPHKLPPLREPILLTSLPLPGYLEQGIATSLIKAMNAAGCLKPKFPFLSIRRSALLYIALHLKAFNPKGSEYTRKKYKKKMEQFMESCELITYLGAKMTRKYKEPQFRAIDFDHKLKTFLSLRNIDPING,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1,Nc1ncnc2c1ncn2C1CC(O)C(COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,0.5563025007672873,,s_5769cc0d347788c6f3637827,test
catpreddb_km_km_ed756a154553e5,catpred_iteration1_km,km,Q9I3T5,Q9I3T5,MLSVYSDDHRLHFGQSELVDGKLQPCFEMPSRADTVLARVKSQNLGEVIAPKDFGREPLLRLHDAAYLDFLQGAWARWTAEGHSGDLVSTTFPGRRLRRDGPIPTALMGELGYYSFDTEAPITAGTWQAIYSSAQVALTAQEHMRQGARSAFALCRPPGHHAGGDFMGGYCFLNNAAIATQAFLDQGARRVAILDVDYHHGNGTQDIFYRRDDVLFASIHGDPRVEYPYFLGYADERGEGAGEGCNHNYPLAHGSGWDLWSAALDDACVRIAGYAPDALVISLGVDTYKEDPISQFRLDSPDYLRMGERIARLGLPTLFIMEGGYAVEAIGINAVNVLQGYEGAAR,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCCN=C(O)C(F)(F)F)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCCN=C(O)C(F)(F)F)N=C(O)OC(C)(C)C)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCCN=C(O)C(F)(F)F)N=C(O)OC(C)(C)C)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.0757207139381184,,s_64d8728dca5ed5459d934dee,test
catpreddb_km_km_ed94de91b49c24,catpred_iteration1_km,km,I6NC69,I6NC69,MSQSPDVIEQQHTNRVPKDKQPFPSAQHRHPLDPLRWDEILLARSVLLNSSLLTEGHPTVHIITLETPEKEEVLNWKPGQLPAPLRRAYVETILFGKTHKIVVDVAAGALVSDEIHHAPGYPSLSSNDILIVATLPSTHPPFLQSLKARGVGVSDVVCLPISPGWFGIPEEEGKRLVKALCYNKNGSANVFMRPLEGIVILLDLDRKQILKYVDDRKVPIPKVEGTDYRLFAQKPPLMKPLNPISLEQPLGPSFKVEGNLVKWANWEFHVRPDFRAGMVISQAVIHDPETGEARSVLYEGFPSELFVPYMDPSEGWYFKTYMDSGEYGLGMLALPLQPLNDCPRNAHYFDAVFAGPDGNPYVTPNILCVFERYAGDVAWRHSEAFVQDFEVHEVRPKVTLVVRMVGSVGNYDYIFDWEFQTDGILRVNVGMTGLLMVKATSINSIAENIVDLHGTLVSENTIGVFHDHFINFHLDLDIDGLTNTFIKKILKRKNVVNNESPRKSYWTTENQIAETEDDAKIRLKAFEPSEFHIVNSKKRTRLGNPVGYRIVPGFTADSLLSSVDPPQHRAAFIDNQIWVTPLNKSERWAGGLFVYESHGEDTLAVWSKRNRAIQGRDIVLWYTMGFHHVPCQEDFPIMPTLSGSFELKPSNFLERNPILKTLPNYPSQLPKCSIGSHVDER,NCCCCN,NCCCCN,NCCCCN>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_b85928245e46f813f3e4fa84,test
catpreddb_km_km_ed975c6096524a,catpred_iteration1_km,km,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CC=O)cc(OC)c1O,COc1cc(C=CC=O)cc(OC)c1O,COc1cc(C=CC=O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_km_km_edd45bc368c5b5,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O,CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H](O)C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9633711046378388,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_edd486360764e4,catpred_iteration1_km,km,P00439,P00439,MSTAVLENPGLGRKLSDFGQETSYIEDNCNQNGAISLIFSLKEEVGALAKVLRLFEENDVNLTHIESRPSRLKKDEYEFFTHLDKRSLPALTNIIKILRHDIGATVHELSRDKKKDTVPWFPRTIQELDRFANQILSYGAELDADHPGFKDPVYRARRKQFADIAYNYRHGQPIPRVEYMEEEKKTWGTVFKTLKSLYKTHACYEYNHIFPLLEKYCGFHEDNIPQLEDVSQFLQTCTGFRLRPVAGLLSSRDFLGGLAFRVFHCTQYIRHGSKPMYTPEPDICHELLGHVPLFSDRSFAQFSQEIGLASLGAPDEYIEKLATIYWFTVEFGLCKQGDSIKAYGAGLLSSFGELQYCLSEKPKLLPLELEKTAIQNYTVTEFQPLYYVAESFNDAKEKVRNFAATIPRPFSVRYDPYTQRIEVLDNTQQLKILADSINSEIGILCSALQKIK,CSC[C@H](N=C(C)O)C(=O)O,CSC[C@H](N=C(C)O)C(=O)O,CSC[C@H](N=C(C)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.70755003491274,,s_82a10d76551a9414922a5d44,test
catpreddb_km_km_edf0e5a3baea49,catpred_iteration1_km,km,Q9SCL7,Q9SCL7,MATVTSNASPKSFSFTVSNPFKTLIPNKSPSLCYPTRNKNHHRLGFSIKATVSTPPSIATGNAPSPDYRVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMITG,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3135807464851595,,s_f50adb24004f25117fc4da7c,test
catpreddb_km_km_ee223a44112ab3,catpred_iteration1_km,km,P00492,P00492,MATRSPGVVISDDEPGYDLDLFCIPNHYAEDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSYCNDQSTGDIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKAKYKA,NC(=O)c1nccnc1O,NC(=O)c1nccnc1O,NC(=O)c1nccnc1O>>,public_strict_iteration1_fulltrue_msa,,0.6094876898532853,,s_819c9375ca8203a769c0057f,test
catpreddb_km_km_ee2585714d7667,catpred_iteration1_km,km,A0A6A5Q2K3,A0A6A5Q2K3,MAAGVPKIDALESLGNPLEDAKRAAAYRAVDENLKFDDHKIIGIGSGSTVVYVAERIGQYLHDPKFYEVASKFICIPTGFQSRNLILDNKLQLGSIEQYPRIDIAFDGADEVDENLQLIKGGGACLFQEKLVSTSAKTFIVVADSRKKSPKHLGKNWRQGVPIEIVPSSYVRVKNDLLEQLHAEKVDIRQGGSAKAGPVVTDNNNFIIDADFGEISDPRKLHREIKLLVGVVETGLFIDNASKAYFGNSDGSVEVTEK,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1307682802690238,,s_2efa302e5081a19b90c62cc2,test
catpreddb_km_km_ee3d9e42eaf23f,catpred_iteration1_km,km,Q48230,Q48230,MNKNKNIGIILAGGVGSRMGLGYPKQFSKIAGKTALEHTLAIFQEHKEIDEIIIVSERTSYRRIEDIVSKLDFSKVNRIIFGGKERSDSTLSAITALQDEPENTKLIIHDAVRPLLATEIISECIAKLDKYNAVDVAIPAVDTIVHVNNDTQEIIKIPKRAEYYQGQTPQAFKLGTLKKAYDIYTQGGIEGTCDCSIVLKTLPEERVGIVSGSETNIKLTRPVDLFIADKLFQSRSHFSLRNITSIDRLYDMKDQVLVVIGGSYGIGAHIIDIAKKFGIKTYSLSRSNGVDVGDVKSIEKAFAEIYAKEHKIDHIVNTAAVLNHKTLVSMSYEEILTSINVNYTGMINAVITAYPYLKQTHGSFLGFTSSSYTRGRPFYAIYSSAKAAVVNLTQAISEEWLPDNIKINCVNPERTKTPMRTKAFGIEPEGTLLDAKTVAFASLVVLASRETGNIIDVVLKDEEYITNILADLYK,OCC1(O)OCC(O)C1O,OCC1(O)OCC(O)C1O,OCC1(O)OCC(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_81e6eefa5ffd42c197d3764b,test
catpreddb_km_km_ee456a4c8e7777,catpred_iteration1_km,km,P97697,P97697,MADPWQECMDYAVILARQAGEMIREALKNKMDVMIKSSPADLVTVTDQKVEKMLMSSIKEKYPYHSFIGEESVASGEKTVFTEQPTWIIDPIDGTTNFVHRFPFVAVSIGFVVNKEMEFGVVYSCVEDKMYTGRKGKGAFCNGQKLRVSQQEDITKSLLVTELGSSRKPETLRIVLSNMERLCSIPIHGIRSVGTAAVNMCLVATGGADAYYEMGIHCWDMAGAGIIVIEAGGVLLDVTGGPFDLMSRRIIAASNIALAERIAKELEIIPLQRDDES,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O,O=P(O)(O)OC1C(O)C(O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_d1fd0690201b117a244e4e9f,test
catpreddb_km_km_ee68511d1c7dec,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1,CON=C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CSC12)c1csc(N)n1>>,public_strict_iteration1_fulltrue_msa,,-1.0222763947111522,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_ee6b73f12bbdef,catpred_iteration1_km,km,Q9LVR1,Q9LVR1,MHITKPHAAMFSSPGMGHVIPVIELGKRLSANNGFHVTVFVLETDAASAQSKFLNSTGVDIVKLPSPDIYGLVDPDDHVVTKIGVIMRAAVPALRSKIAAMHQKPTALIVDLFGTDALCLAKEFNMLSYVFIPTNARFLGVSIYYPNLDKDIKEEHTVQRNPLAIPGCEPVRFEDTLDAYLVPDEPVYRDFVRHGLAYPKADGILVNTWEEMEPKSLKSLLNPKLLGRVARVPVYPIGPLCRPIQSSETDHPVLDWLNEQPNESVLYISFGSGGCLSAKQLTELAWGLEQSQQRFVWVVRPPVDGSCCSEYVSANGGGTEDNTPEYLPEGFVSRTSDRGFVVPSWAPQAEILSHRAVGGFLTHCGWSSTLESVVGGVPMIAWPLFAEQNMNAALLSDELGIAVRLDDPKEDISRWKIEALVRKVMTEKEGEAMRRKVKKLRDSAEMSLSIDGGGLAHESLCRVTKECQRFLERVVDLSRGA,COc1cc(C=CC(=O)O)ccc1O,COc1cc(C=CC(=O)O)ccc1O,COc1cc(C=CC(=O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.3467874862246563,,s_8c68b20da9effc0e800e6b6e,test
catpreddb_km_km_ee814876e31c91,catpred_iteration1_km,km,Q9VSL2,Q9VSL2,MSSGKHLAKGSPKPVLPDDGVLRLYSMRFCPYAQRAHLVLNAKNVPYHSVYINLTEKPEWLVEVSPLLKVPALQLVAEKGEPSLIESLIIAEYLDDKYPENPLLPKDPLKRAQDKILLERFSSITSAFINILVQGTGLEDYWTALDIFEEELTKRGTPYFGGNKPGFVDYMIWPWFERLSVIELKLQKEYNFNESRFPKITKWIALLKADSVVQSFYATPEQHNEFWRTRKAGNANYDLLA,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O,NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_016d785c1269382bd95d5143,test
catpreddb_km_km_ee92bb5aee5cff,catpred_iteration1_km,km,Q485S0,Q485S0,MTKNIAQAAVKFEQWQPKIEQESYLTINSLECHTGGEPLRIITSGFPVLKGNTILAKANDCKQNYDQLRRALMFEPRGHADMYGAIITDAERDDSHFGAVFIHNEGYSSMCGHAVIALTKTAVESGVVARTGDVTQVVIDVPCGQIYAMAYSHNNVVKHVSFQCVPSFVYAKDQQVEVDGIGMVQFDIAYGGAFYAYVQASSLGLSLVPEQQEKLIAYGRKIKQAIIPQFEINHPTTAELSFLYGVIFIDDSPNQDVHSRNVCIFADGELDRSPTGSGVSGRIALHHAKQQIVLNETITIESILASSFSVRAIETVCFAGFDAVIPEVTGDAYVCGKGQWFINAEDPLKYGFLLR,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1,O=C(O)C1=NCCC1>>,public_strict_iteration1_fulltrue_msa,,0.6082281074578709,,s_eaed4ec956fe64c490e4e848,test
catpreddb_km_km_ee9ca5faf0b758,catpred_iteration1_km,km,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,O=CC(=O)O,O=CC(=O)O,O=CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_km_km_eea1cb8f5efe45,catpred_iteration1_km,km,A0A4Y5R9F4,A0A4Y5R9F4,MAPSIFSDEPQHGNTTKPYSHDPSASTPASSQQNGNTPHDQNGSSCVVDKKKGRHAGAGHKSILQSDALYQYVLETSVYPRENPYQRELREITEKHPWNLMTTPPDEGQFLMLLMKLINAKNTMELGVYTGYSLLSTALALPDDGKIIAMDINRENYELGAPVIEKAGLSHKVDFREGLILPQLDEMLLEERNLGFFDFIFVDADKDNYVKYHERLIKLVKVGGVIGYDNTLWNGSLVAPEDAPYPKYICHYRPFVLELNRVLAGDKRIEISQVPIGDGLTLCRRIK,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12>>,public_strict_iteration1_fulltrue_msa,,-1.1741996224212596,,s_99bb8b4a9f1f4ed06cb0729c,test
catpreddb_km_km_eedd200f0acf8c,catpred_iteration1_km,km,A0A060PQX5,A0A060PQX5,MELEKRLKEKLEAPTLDYEKYFSKKALGMKASEVRELLKLVESSDVISLAGGLPAPETFPVEIIAEITKEVLEKHAAQALQYGTTKGFTPLRLALAEWMRKRYDIPISKVDIMITSGSQQALDLIGRVFINPGDIVVVEAPTYLAALQAFKYYEPEFVQIPLDDEGMRVDLLEEKLQELEKEGKKVKLVYTIPTFQNPAGVTMSEKRRKRLLELASEYDFLIVEDNPYGELRYSGEPVKPIKAWDDEGRVMYLGTFSKILAPGFRIGWIAAEPHLIRKLEIAKQSVDLCTNPFSQVIAWKYVEGGHLDNHIPNIIEFYKPRRDAMLKALEEFMPEGVRWTKPEGGMFVWVTLPEGIDTKLMLEKAVAKGVAYVPGEAFFAHRDVKNTMRLNFTYVPEEKIREGIKRLAETIKEEMKK,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O,N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6232492903979004,,s_ecaea209f7cdcffa0838698c,test
catpreddb_km_km_eee461b0805cd7,catpred_iteration1_km,km,C4KKZ9,C4KKZ9,MRIPLVGKEPIEAEDMGFTLIHEHLRVFSEAVRYQWPHLYNEDEELRNAVNEVKRAMQFGVKTIVDPTVMGLGRDIRFMEKVVKTTGINLVAGTGIYIYVDLPFYFLNRSIDEIADLFIHDIKEGIQATSNKAGFVKIAADEPGITKDVEKVIRAAAITHKEAKVPIITHSNAHNNTGLEEQRILMEEGVDPGKILIGHLGDTDNTDYIKKIADKGSFIGLDRYGLDLFLPVDKRNETTLKLIKDGYSDRIMISHDYCCTIDWGTARPELKPKLAPRWSMALIFEDTIPFLKKNGVSEEVIDIIFKENPKKFFS,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1,CC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.9065783148377652,,s_0b1a538f1d9786e099454553,test
catpreddb_km_km_eef708e5f307b7,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,COc1ccc2c(CC(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1,COc1ccc2c(CC(O)=N[C@@H](C)C(=O)N3CCC[C@H]3C(O)=N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-0.8326826652518239,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_eeffe211200951,catpred_iteration1_km,km,P11032,P11032,MRNASGPRGPSLATLLFLLLIPEGGCERIIGGDTVVPHSRPYMALLKLSSNTICAGALIEKNWVLTAAHCNVGKRSKFILGAHSINKEPEQQILTVKKAFPYPCYDEYTREGDLQLVRLKKKATVNRNVAILHLPKKGDDVKPGTRCRVAGWGRFGNKSAPSETLREVNITVIDRKICNDEKHYNFHPVIGLNMICAGDLRGGKDSCNGDSGSPLLCDGILRGITSFGGEKCGDRRWPGVYTFLSDKHLNWIKKIMKGSV,C[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)SCc1ccccc1,C[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)SCc1ccccc1,C[C@H](N=C(O)OC(C)(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCNC(=N)N)C(=O)SCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.8538719643217619,,s_2717a1dc500e71829f5ad886,test
catpreddb_km_km_ef09a0fffc4aba,catpred_iteration1_km,km,Q7SIG3,Q7SIG3,VVGGRVAQPNSWPWQISLQYKSGSSYYHTCGGSLIRQGWVMTAAHCVDSARTWRVVLGEHNLNTNEGKEQIMTVNSVFIHSGWNSDDVAGGYDIALLRLNTQASLNSAVQLAALPPSNQILPNNNPCYITGWGKTSTGGPLSDSLKQAWLPSVDHATCSSSGWWGSTVKTTMVCAGGGANSGCNGDSGGPLNCQVNGSYYVHGVTSFVSSSGCNASKKPTVFTRVSAYISWMNGIM,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](C)N=C(O)CC(=O)O)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.0809219076239261,,s_20f7683f837eb8444a532bea,test
catpreddb_km_km_ef2d932f83ed0e,catpred_iteration1_km,km,O24146,O24146,MEKDTKQVDIIFRSKLPDIYIPNHLPLHSYCFENISEFSSRPCLINGANKQIYTYADVELNSRKVAAGLHKQGIQPKDTIMILLPNSPEFVFAFIGASYLGAISTMANPLFTPAEVVKQAKASSAKIIVTQACHVNKVKDYAFENDVKIICIDSAPEGCLHFSVLTQANEHDIPEVEIQPDDVVALPYSSGTTGLPKGVMLTHKGLVTSVAQQVDGENPNLYIHSEDVMLCVLPLFHIYSLNSVLLCGLRVGAAILIMQKFDIVSFLELIQRYKVTIGPFVPPIVLAIAKSPMVDDYDLSSVRTVMSGAAPLGKELEDTVRAKFPNAKLGQGYGMTEAGPVLAMCLAFAKEPFEIKSGACGTVVRNAEMKIVDPKTGNSLPRNQSGEICIRGDQIMKGYLNDPEATARTIDKEGWLYTGDIGYIDDDDELFIVDRLKELIKYKGFQVAPAELEALLLNHPNISDAAVVPMKDEQAGEVPVAFVVRSNGSTITEDEVKDFISKQVIFYKRIKRVFFVDAIPKSPSGKILRKDLRAKLAAGLPN,COc1cc(/C=C/C(=O)O)ccc1O,COc1cc(/C=C/C(=O)O)ccc1O,COc1cc(/C=C/C(=O)O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-2.537602002101044,,s_b991b4e6ee923613a8b3bb98,test
catpreddb_km_km_ef486efc8568e8,catpred_iteration1_km,km,Q9YE01,Q9YE01,MEDLYLSWPKWFSEALARYSSLEGALEGVEEIYYCGMGGSGAAGDYIEALLSIYAPQGPEFRVVKDFRPPRPPRHRGYGLVLASYSGNTLETVECGSLLSPAAGRVVAVTSGGRLLEMAKERGWLVARLPGGILPRVSFPWMLAASTAMLSGALGVDLEALKRLAGGLDTQGLKGEAERLAGFISRYRIASLVTCGPGIPLAVRLKNELAENAKMPSRLEIYPESSHNDIVALEAAEGLYGAVFIWIEHEGSLCPAVLDVVEGIYREYGVDTISIESSARGGPNATVAEYLSRTLVFGLASVRLALMRGFNPEETPPIDKYKRRLGEALRSQA,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O,O=P(O)(O)OCC1OC(O)(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.5171640143899466,,s_2f7fca05c88d6aadd7f589b4,test
catpreddb_km_km_ef4940740be21e,catpred_iteration1_km,km,O15296,O15296,MAEFRVRVSTGEAFGAGTWDKVSVSIVGTRGESPPLPLDNLGKEFTAGAEEDFQVTLPEDVGRVLLLRVHKAPPVLPLLGPLAPDAWFCRWFQLTPPRGGHLLFPCYQWLEGAGTLVLQEGTAKVSWADHHPVLQQQRQEELQARQEMYQWKAYNPGWPHCLDEKTVEDLELNIKYSTAKNANFYLQAGSAFAEMKIKGLLDRKGLWRSLNEMKRIFNFRRTPAAEHAFEHWQEDAFFASQFLNGLNPVLIRRCHYLPKNFPVTDAMVASVLGPGTSLQAELEKGSLFLVDHGILSGIQTNVINGKPQFSAAPMTLLYQSPGCGPLLPLAIQLSQTPGPNSPIFLPTDDKWDWLLAKTWVRNAEFSFHEALTHLLHSHLLPEVFTLATLRQLPHCHPLFKLLIPHTRYTLHINTLARELLIVPGQVVDRSTGIGIEGFSELIQRNMKQLNYSLLCLPEDIRTRGVEDIPGYYYRDDGMQIWGAVERFVSEIIGIYYPSDESVQDDRELQAWVREIFSKGFLNQESSGIPSSLETREALVQYVTMVIFTCSAKHAAVSAGQFDSCAWMPNLPPSMQLPPPTSKGLATCEGFIATLPPVNATCDVILALWLLSKEPGDQRPLGTYPDEHFTEEAPRRSIATFQSRLAQISRGIQERNQGLVLPYTYLDPPLIENSVSI,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_bc3c7902a9246b443e0ad337,test
catpreddb_km_km_ef4a177b814d90,catpred_iteration1_km,km,Q8BGN3,Q8BGN3,MAAKLWTFLLGFGLSWVWPASAHRKLLVLLLDGFRSDYISEDALASLPGFREIVNRGVKVDYLTPDFPSLSYPNYYTLMTGRHCEVHQMIGNYMWDPRTNKSFDIGVNRDSLMPLWWNGSEPLWITLMKARRKVYMYYWPGCEVEILGVRPTYCLEYKTVPTDINFANAVSDALDSLKSGRADLAAIYHERIDVEGHHYGPSSPQRKDALRAVDTVLKYMIQWIQDRGLQQDLNVILFSDHGMTDIFWMDKVIELSNYISLDDLQQVKDRGPVVSLWPVPGKHSEIYHKLRTVEHMTVYEKESIPNRFYYKKGKFVSPLTLVADEGWFIAESREMLPFWMNSTGKREGWQRGWHGYDNELMDMRGIFLAIGPDFKSNFRAAPIRSVDVYNIMCHVAGITPLPNNGSWSRVVCMLKGQTSSAPPTPLNSCALVLILLLYFV,C[N+](C)(C)CCO[P-](=O)(=O)OCC1C=CC(N([O-])O)=CC1,C[N+](C)(C)CCO[P-](=O)(=O)OCC1C=CC(N([O-])O)=CC1,C[N+](C)(C)CCO[P-](=O)(=O)OCC1C=CC(N([O-])O)=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.2596373105057563,,s_077d7e9b048d5875ad4b60d1,test
catpreddb_km_km_ef5230bd3af7e1,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-4.086186147616283,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_ef539119deb910,catpred_iteration1_km,km,Q9VCC6,Q9VCC6,MTSKLLPGNIVYGGPVTERQAQDSRSLGQYILDKYKSFGDRTVLVDAVNGVEYSASFMHKSIVRLAYILQKLGVKQNDVVGLSSENSVNFALAMFAGLAVGATVAPLNVTYSDREVDHAINLSKPKIIFASKITIDRVAKVASKNKFVKGIIALSGTSKKFKNIYDLKELMEDEKFKTQPDFTSPAANKDEDVSLIVCSSGTTGLPKGVQLTQMNLLATLDSQIQPTVIPMEEVTLLTVIPWFHAFGCLTLITTACVGARLVYLPKFEEKLFLSAIEKYRVMMAFMVPPLMVFLAKHPIVDKYDLSSLMVLLCGAAPLSRETEDQIKERIGVPFIRQGYGLSESTLSVLVQNDEFCKPGSVGVLKVGIYAKVIDPDTGKLLGANERGELCFKGDGIMKGYIGDTKSTQTAIKDGWLHTGDIGYYDDDFEFFIVDRIKELIKYKGYQVPPAEIEALLLTNDKIKDAAVIGKPDEEAGELPLAFVVKQANVQLTENEVIQFVNDNASPAKRLRGGVIFVDEIPKNPSGKILRRILREMLKKQKSKL,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O,CCCCCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.774690718274137,,s_f51fea7d9150b0032a6f1732,test
catpreddb_km_km_ef546f0992094c,catpred_iteration1_km,km,P80175,P80175,MKTKAAVLHSAGKPFEIEELELDGPREGEVLIKYTAAGLCHSDLHLIDNDLVPRFPIVGGHEGAGVIEDVGPGVTKVKPGDHVVCSFIPNCGTCRYCATGRSNLCDMGATILDGGMPDGSFRFHRGGTDYGAMCMLGTFSERATISQHSVVKVDDWLPLETAVLVGCGVPTGWASANYAGGVRAGDTCVVYGIGGIGINAVQGAAHAGAANVIAVDPVAFKREKALELGATHAFASADEAAAKVAELTWGQMADQALITVGTVVEQVVTDAFNVIGKGGTVVITGLANPEKLTVHLSGGVMTLFEKTVKGTLFGSANPQYDIVRLLRLYQAGHVKLDELVTKRYSLEEVNEGYQDLRDGKNIRGVIMHSAD,CCCO,CCCO,CCCO>>,public_strict_iteration1_fulltrue_msa,,-2.408935392973501,,s_f32cba546b1c78d43371d9b7,test
catpreddb_km_km_ef55f577114f76,catpred_iteration1_km,km,P36269,P36269,MARGYGATVSLVLLGLGLALAVIVLAVVLSRHQAPCGPQAFAHAAVAADSKVCSDIGRAILQQQGSPVDATIAALVCTSVVNPQSMGLGGGVIFTIYNVTTGKVEVINARETVPASHAPSLLDQCAQALPLGTGAQWIGVPGELRGYAEAHRRHGRLPWAQLFQPTIALLRGGHVVAPVLSRFLHNSILRPSLQASTLRQLFFNGTEPLRPQDPLPWPALATTLETVATEGVEVFYTGRLGQMLVEDIAKEGSQLTLQDLAKFQPEVVDALEVPLGDYTLYSPPPPAGGAILSFILNVLRGFNFSTESMARPEGRVNVYHHLVETLKFAKGQRWRLGDPRSHPKLQNASRDLLGETLAQLIRQQIDGRGDHQLSHYSLAEAWGHGTGTSHVSVLGEDGSAVAATSTINTPFGAMVYSPRTGIILNNELLDLCERCPRGSGTTPSPVSGDRVGGAPGRCWPPVPGERSPSSMVPSILINKAQGSKLVIGGAGGELIISAVAQAIMSKLWLGFDLRAAIAAPILHVNSKGCVEYEPNFSQEVQRGLQDRGQNQTQRPFFLNVVQAVSQEGACVYAVSDLRKSGEAAGY,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O,N[C@@H](CCC(O)=N[C@@H](CS)C(O)=NCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.978810700930062,,s_3e522460abccf995f0eab705,test
catpreddb_km_km_ef5a4d14978539,catpred_iteration1_km,km,W0NUN5,W0NUN5,MSDSDLEFDVIVAGSGGGLAGAYTAARENLSVLLVEATDLFGGTTSFSGGGGMWFPCNPVLQRAGTDDTIDKALTYFHAVVGERTPRELQDAYVRGGAKLIEYLEQDPAFEFTALPWPDYYGTAPEARTDGYRHTIPLPVPDAALGKYAGLVRGPLDTERLGAEAPDLLVGGRALVGRFLAALDKLPTVTCWLNAPLVDLITENGRVVGAVIERDGAPVRVTTRRGVLLASGGFEQNAEMRAEYGVPGHATDSMGGPGSTGRAHRAAIAVGADVDLMDQAWWSPGMTHPDGRSAFALWFTGGIFVNQQGRRFVNESAPYDRIGRDIIDQMQNGSTRLPFWMIYDNRDGDIPPVKATNVSMVEPEKYRTAGLWHSADTLAELAGAIGVPAAELEATVARYNELAATGIDDDFGRGGEAYDRAFSGGESPMVPLDTPPYHAAVFGLSDLGTKGGLRTDTHARVLDADGAAIPGLYAAGNTMAAVSGTTYPGGGNPIGASMLFSHLAALDMATQSSAE,C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O,C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O,C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@]12O>>,public_strict_iteration1_fulltrue_msa,,-0.9788107009300618,,s_6bc252860d9260b321c64968,test
catpreddb_km_km_ef71aa4b932ef9,catpred_iteration1_km,km,P00376,P00376,MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN,CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1,CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1,CC(O)C(O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>,public_strict_iteration1_fulltrue_msa,,-2.142064735280571,,s_5782e3570fd8e47d095ef392,test
catpreddb_km_km_ef761b63993f37,catpred_iteration1_km,km,P00786,P00786,MWTALPLLCAGAWLLSAGATAELTVNAIEKFHFTSWMKQHQKTYSSREYSHRLQVFANNWRKIQAHNQRNHTFKMGLNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPSSMDWRKKGNVVSPVKNQGACGSCWTFSTTGALESAVAIASGKMMTLAEQQLVDCAQNFNNHGCQGGLPSQAFEYILYNKGIMGEDSYPYIGKNGQCKFNPEKAVAFVKNVVNITLNDEAAMVEAVALYNPVSFAFEVTEDFMMYKSGVYSSNSCHKTPDKVNHAVLAVGYGEQNGLLYWIVKNSWGSNWGNNGYFLIERGKNMCGLAACASYPIPQV,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@@H](N)CCCNC(=N)N)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.0132282657337552,,s_5a78a4e482dbb9b6858e18c4,test
catpreddb_km_km_ef83a9e125e577,catpred_iteration1_km,km,K4CB47,K4CB47,MGSEKMMKINIKESTLVKPSKPTPTKRIWSSNLDLIVGRIHLLTVYFYKPNGSSNFFDNKVIKEALSNVLVSFYPMAGRLGRDEQGRIEVNCNGEGVLFVEAESDSCVDDFGDFTPSLELRKLIPSVETSGDISTFPLVIFQITRFKCGGVALGGGVFHTLSDGLSSIHFINTWSDIARGLSVAVPPFIDRTLLRARDPPTSSFEHVEYHPPPTLNSSKNRESSTTTMLKFSSEQLGLLKSKSKNEGSTYEILAAHIWRCTCKARGLPEDQLTKLHVATDGRSRLCPPLPPGYLGNVVFTATPIAKSCELQSEPLTNSVKRIHNELIKMDDNYLRSALDYLELQPDLSTLIRGPAYFASPNLNINSWTRLPVHECDFGWGRPIHMGPACILYEGTIYIIPSPNSKDRNLRLAVCLDAGHMSLFEKYLYEL,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_8cb0426bcd3214c6ac076000,test
catpreddb_km_km_ef89ce968ef1b3,catpred_iteration1_km,km,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,[Fe+2],[Fe+2],[Fe+2]>>,public_strict_iteration1_fulltrue_msa,,-2.227965977824862,,s_51f714c2449518f0f1cf2f16,test
catpreddb_km_km_efa7c01f620f1d,catpred_iteration1_km,km,Q8NK64,Q8NK64,MPSIQIGQHLLNRLKEINIDVVFGVPGDFNMPLLDIIEDDPKLTWGNNANELNASYAADGYARIRGAGAVVTTFGVGELSAVNGVAGSYAEMLPVIHIVGTPSTKSQAAGAMLHHSLGDGNFDVFFNMSSMIACASTHLRKQTAIAEIDRVISQAVLSKRTGYIGIPIDLIKTEVEIPEELGPFQTTLPKNNPEVQAIALKVVAEAIQSAKHPVIIVDGCVLRHRCQKPVQEFITRSGFPTYVAPMGKGAVDESIENFRGCYSGNVTLEAVNEEIKLADLIIEIGSIKSDFNTGNFSYSLDRSKTITLHSFATVVFCAEYQKVSMMEFIPLLTEALPQQPRTFNLGPRAKPVPIQPGTEITHNYFWHKVPEYMEENAIVCAETGTAEFASLNMDGPKGTTYITQILWGSIGFTVGASVGAAIAARDRRVYLFVGDGSFQLTCQEIAVFLRHGLTPVIFLLNNDGYLIEKLIHGPERAYNNYQMWNYSKSLDYFGAHLEHNKSMGVPPVGFEGKVATRDEFESAMKQVQANPDKIHFLEVIMPQFDAPRELELLVANSENR,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.6532125137753437,,s_77d99cf6b3523a879a5f1988,test
catpreddb_km_km_efad06b6709c73,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O,Cc1cn(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O>>,public_strict_iteration1_fulltrue_msa,,-0.1870866433571444,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_efb3524b6d7e64,catpred_iteration1_km,km,A0A8H4BV13,A0A8H4BV13,MTEQKALVKRITNETKIQIAISLKGGPLAIEHSIFPEKEAEAVAEQATQSQVINVHTGIGFLDHMIHALAKHSGWSLIVECIGDLHIDDHHTTEDCGIALGQAFKEALGAVRGVKRFGSGFAPLDEALSRAVVDLSNRPYAVVELGLQREKVGDLSCEMIPHFLESFAEASRITLHVDCLRGKNDHHRSESAFKALAVAIREATSPNGTNDVPSTKGVLM,O=P(O)(O)OC[C@@H](O)[C@@H](O)c1cnc[nH]1,O=P(O)(O)OC[C@@H](O)[C@@H](O)c1cnc[nH]1,O=P(O)(O)OC[C@@H](O)[C@@H](O)c1cnc[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.6223637474483469,,s_d8a86cdeaf8e8dc92742780d,test
catpreddb_km_km_efcae20968a8ab,catpred_iteration1_km,km,Q8TGI8,Q8TGI8,MRNGLLKVAALAAASAVNGENLAYSPPFYPSPWANGQGDWAEAYQKAVQFVSQLTLAEKVNLTTGTGWEQDRCVGQVGSIPRLGFPGLCMQDSPLGVRDTDYNSAFPAGVNVAATWDRNLAYRRGVAMGEEHRGKGVDVQLGPVAGPLGRSPDAGRNWEGFAPDPVLTGNMMASTIQGIQDAGVIACAKHFILYEQEHFRQGAQDGYDISDSISANADDKTMHELYLWPFADAVRAGVGSVMCSYNQVNNSYACSNSYTMNKLLKSELGFQGFVMTDWGGHHSGVGSALAGLDMSMPGDIAFDSGTSFWGTNLTVAVLNGSIPEWRVDDMAVRIMSAYYKVGRDRYSVPINFDSWTLDTYGPEHYAVGQGQTKINEHVDVRGNHAEIIHEIGAASAVLLKNKGGLPLTGTERFVGVFGKDAGSNPWGVNGCSDRGCDNGTLAMGWGSGTANFPYLVTPEQAIQREVLSRNGTFTGITDNGALAEMAAAASQADTCLVFANADSGEGYITVDGNEGDRKNLTLWQGADQVIHNVSANCNNTVVVLHTVGPVLIDDWYDHPNVTAILWAGLPGQESGNSLVDVLYGRVNPGKTPFTWGRARDDYGAPLIVKPNNGKGAPQQDFTEGIFIDYRRFDKYNITPIYEFGFGLSYTTFEFSQLNVQPINAPPYTPASGFTKAAQSFGQPSNASDNLYPSDIERVPLYIYPWLNSTDLKASANDPDYGLPTEKYVPPNATNGDPQPIDPAGGAPGGNPSLYEPVARVTTIITNTGKVTGDEVPQLYVSLGGPDDAPKVLRGFDRITLAPGQQYLWTTTLTRRDISNWDPVTQNWVVTNYTKTIYVGNSSRNLPLQAPLKPYPGI,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.1079053973095195,,s_75ed30970c46263bfbfb163d,test
catpreddb_km_km_efe282b07c6d2d,catpred_iteration1_km,km,Q9I5F3,Q9I5F3,MSRILAVHASPRGERSQSRRLAEVFLAAYREAHPQARVARREVGRVPLPAVTEAFVAAAFHPQPEQRSLAMQADLALSDQLVGELFDSDLLVISTPMYNFSVPSGLKAWIDQIVRLGVTFDFVLDNGVAQYRPLLRGKRALIVTSRGGHGFGPGGENQAMNHADPWLRTALGFIGIDEVTVVAAEGEESGGRSFEDSCDEAEQRLLALARSA,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1,CN(C)c1ccc(N=Nc2ccccc2C(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.032920265855503,,s_b4a31a08446712d2d07ed420,test
catpreddb_km_km_efe950e2e065c6,catpred_iteration1_km,km,Q8LPA6,Q8LPA6,MQRSGLRLASSRSAPIWKVGDVVLHGAAAEDNAQTRLVFSKDTKDFLSELNRQFAYEVVELSKHRKGLHESIRRTLPSGQVELPTLAGANDPNWKVAPTPEVLQKRRVEITGPANDAKMVINMLNSGADACMIDLEDAMAPSGKNVVEGHFNIYKAARGELVYEQPLGDGKFKRYQIGQTPSTLMVRVRGLHMKEVHATAAHVGPVPATLFDIGVHLANNGKYLQDHGLGPFLYIPKLHSGVEAEVLEKVLAYCEKQLQLTENGTKVTTLIETLPAIFQTEEIAYALKNRIVGQNCGRWDWLASRNYYLSGQKEAIHPDREYLGMEQSFNKAYSQRVCQTAKKRGFHAMGGMSAFIPVSGDQAKTAEAIQKVVVDKALEIENGHDGAWVAHPGMVEAVLDQFKKAFGDAPHQKSSSKSVDAKISTKDIIEVPKDLQDASKRTEKGLRQNISVALQYMGHYLQGNGAAGINNMMEDLATFEMSRHHIRSWVDSKVEITFADESRPDTLWVKPEDPGNLALKLNNFLGLQDKIQMVDTIHQLQALRSLPQGQFREGLRALQSQVNTYSDFHDISILADLEQGYGDVKYTRYGVTKAIQNGISMLHIEDQGPKKRCGHLGDKELDTFDHAIEIMTAANYAAQEVLGPEQAKENLCRFVFRTDALSATRIVYSKAVEDPSHIDHKYIDWDRGFCPDGRYLWLKKDTNPATGNPYGLDQSIDRASEMVRRGLASFVWMETPDAEVRIAQAFLEGVNERLKNTGRQALGLYNFSPSFIWDKNYYPDAKKLALQVATFAQDNLISRVQSGAISHEQAMSELKQFLDTNGDKVRGDHLFTTQNLERLYSHAMDHCRTANGWSGDITKANDLISQQFASNLKFRLQREIERTQQGGYNPVHHMSNIVVGQRIKHFSSALEKIGFMAQLITLPQFHTEAERGYSVARAYQQQGIEGYVQHVQRVEEHLPSGYTFLGHQKAVGTGVEAQLYENLFAKASAILHDSTEKHFH,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O,O=C(O)CC(C(=O)O)C(O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8534441974908089,,s_1dbd72bf0152d16fa32eb734,test
catpreddb_km_km_f00a484bff9675,catpred_iteration1_km,km,Q9T003,Q9T003,MSSDQLSKFLDRNKMEDNKRKVLDEEAKASLDIWKYVFGFADIAAAKCAIDLKIPEAIENHPSSQPVTLAELSSAVSASPSHLRRIMRFLVHQGIFKEIPTKDGLATGYVNTPLSRRLMITRRDGKSLAPFVLFETTPEMLAPWLRLSSVVSSPVNGSTPPPFDAVHGKDVWSFAQDNPFLSDMINEAMACDARRVVPRVAGACHGLFDGVTTMVDVGGGTGETMGMLVKEFPWIKGFNFDLPHVIEVAEVLDGVENVEGDMFDSIPACDAIFIKWVLHDWGDKDCIKILKNCKEAVPPNIGKVLIVESVIGENKKTMIVDERDEKLEHVRLMLDMVMMAHTSTGKERTLKEWDFVLKEAGFARYEVRDIDDVQSLIIAYRS,NCCc1c[nH]c2ccc(O)cc12,NCCc1c[nH]c2ccc(O)cc12,NCCc1c[nH]c2ccc(O)cc12>>,public_strict_iteration1_fulltrue_msa,,0.0153597554092142,,s_fe6f536e74ae55ae1967f705,test
catpreddb_km_km_f0207fe189f005,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O,CCN1CCN(C(O)=N[C@@H](C(O)=N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C(=O)O)c2ccccc2)C(=O)C1=O>>,public_strict_iteration1_fulltrue_msa,,-3.769551078621726,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_f021e7f52a1b22,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,OCC1OC(O)CC(O)C1O,OCC1OC(O)CC(O)C1O,OCC1OC(O)CC(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_f0349ab69ddbf6,catpred_iteration1_km,km,A0A024CDT8,A0A024CDT8,MTMLGMTKRLLLSAAVLAGLSGAVAAHAAPKQDLKGTNVVLVHGAFADGSSWSRVIPLLEARGLHVVAVQNPLSSLADDTAATRRAIDAQTGPVVLVGHSWAGVVISEAGNDAKVKSLVYVAAFAPDDGQSIADVTQGLPAPAWAGELRKDAAGFTTLSDRAIAQDFAPDLSPAQQRVVAATQGPWYGGCISEKVTRAAWHAKPSSFVVATQDRMIDPKLQDAMAKRIGATVTHVRASHVAMLSQPKAVADAIIAAAERAQHDAR,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1>>,public_strict_iteration1_fulltrue_msa,,-3.408935392973501,,s_cc4d67d045c4fbffb56a64c6,test
catpreddb_km_km_f07299ff1e68ca,catpred_iteration1_km,km,Q9KWR0,Q9KWR0,MSAIRVGIVGYGNLGRGVEFAISQNPDMELVAVFTRRDPSTVSVASNASVYLVDDAEKFQDDIDVMILCGGSATDLPEQGPHFAQWFNTIDSFDTHAKIPEFFDAVDAAAQKSGKVSVISVGWDPGLFSLNRVLGEAVLPVGTTYTFWGDGLSQGHSDAVRRIEGVKNAVQYTLPIKDAVERVRNGENPELTTREKHARECWVVLEEGADAPKVEQEIVTMPNYFDEYNTTVNFISEDEFNANHTGMPHGGFVIRSGESGANDKQILEFSLKLESNPNFTSSVLVAYARAAHRLSQAGEKGAKTVFDIPFGLLSPKSAAQLRKELL,N[C@H](CCC[C@H](N)C(=O)O)C(=O)O,N[C@H](CCC[C@H](N)C(=O)O)C(=O)O,N[C@H](CCC[C@H](N)C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_68da8d735af24f5f6ba0cee8,test
catpreddb_km_km_f07c584daba7af,catpred_iteration1_km,km,Q13126,Q13126,MASGTTTTAVKIGIIGGTGLDDPEILEGRTEKYVDTPFGKPSDALILGKIKNVDCVLLARHGRQHTIMPSKVNYQANIWALKEEGCTHVIVTTACGSLREEIQPGDIVIIDQFIDRTTMRPQSFYDGSHSCARGVCHIPMAEPFCPKTREVLIETAKKLGLRCHSKGTMVTIEGPRFSSRAESFMFRTWGADVINMTTVPEVVLAKEAGICYASIAMATDYDCWKEHEEAVSVDRVLKTLKENANKAKSLLLTTIPQIGSTEWSETLHNLKNMAQFSVLLPRH,Nc1ncnc2nn[nH]c12,Nc1ncnc2nn[nH]c12,Nc1ncnc2nn[nH]c12>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_af08a7ff324698ac0c93d5fd,test
catpreddb_km_km_f085d56dbc0863,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-2.657577319177794,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_f08cccde8996e7,catpred_iteration1_km,km,A0A1W6MAW2,A0A1W6MAW2,MINTTIKPFSATAYKDGKFVDITEQDVLGKWSVFFFYPADFTFVCPTELGDLADHYEELQSRGVEVFSVSTDTHFTHKAWHDSSDTIGKIKYFMVGDQTGNITNNFGVMRPGQGLADRATFVIDPQGVIQAVEITAEGIGRDAEDLLRKIKAAQYVAAHPGEVCPAKWKEGEQTLAPSLDLVGKI,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,-1.486782399932061,,s_d45108d5353db86b4b0e6c2f,test
catpreddb_km_km_f09a03589804c2,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.50475952450614,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_f09d2656fefde4,catpred_iteration1_km,km,Q9BKL3,Q9BKL3,MSANNVKPFTVFVEGNIGSGKTTFLEHFRQFEDITLLTEPVEMWRDLKGCNLLELMYKDPEKWAMTFQSYVSLTMLDMHRRPAPTPVKLMERSLFSARYCFVEHIMRNNTLHPAQFAVLDEWFRFIQHNIPIDADLIVYLKTSPSIVYQRIKKRARSEEQCVPLSYIEELHRLHEDWLINRIHAECPAPVLVLDADLDLSQITDEYKRSEHQILRKAVNVVMSSPNKHSPKKPISTTPIKITPHMRIL,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1>>,public_strict_iteration1_fulltrue_msa,,-0.3001622741327542,,s_5ad77e9ef5727a1c2da6bd8c,test
catpreddb_km_km_f0aa1698515ca0,catpred_iteration1_km,km,Q9UJ70,Q9UJ70,MAAIYGGVEGGGTRSEVLLVSEDGKILAEADGLSTNHWLIGTDKCVERINEMVNRAKRKAGVDPLVPLRSLGLSLSGGDQEDAGRILIEELRDRFPYLSESYLITTDAAGSIATATPDGGVVLISGTGSNCRLINPDGSESGCGGWGHMMGDEGSAYWIAHQAVKIVFDSIDNLEAAPHDIGYVKQAMFHYFQVPDRLGILTHLYRDFDKCRFAGFCRKIAEGAQQGDPLSRYIFRKAGEMLGRHIVAVLPEIDPVLFQGKIGLPILCVGSVWKSWELLKEGFLLALTQGREIQAQNFFSSFTLMKLRHSSALGGASLGARHIGHLLPMDYSANAIAFYSYTFS,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O,CC(=O)NC1C(O)OC(CO)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.3516399890190684,,s_9ae148e136a6561a7efc2e7a,test
catpreddb_km_km_f0b8fdcc3dc4dc,catpred_iteration1_km,km,P80668,P80668,MTEPHVAVLSQVQQFLDRQHGLYIDGRPGPAQSEKRLAIFDPATGQEIASTADANEADVDNAVMSAWRAFVSRRWAGRLPAERERILLRFADLVEQHSEELAQLETLEQGKSIAISRAFEVGCTLNWMRYTAGLTTKIAGKTLDLSIPLPQGARYQAWTRKEPVGVVAGIVPWNFPLMIGMWKVMPALAAGCSIVIKPSETTPLTMLRVAELASEAGIPDGVFNVVTGSGAVCGAALTSHPHVAKISFTGSTATGKGIARTAADHLTRVTLELGGKNPAIVLKDADPQWVIEGLMTGSFLNQGQVCAASSRIYIEAPLFDTLVSGFEQAVKSLQVGPGMSPVAQINPLVSRAHCDKVCSFLDDAQAQQAELIRGSNGPAGEGYYVAPTLVVNPDAKLRLTREEVFGPVVNLVRVADGEEALQLANDTEYGLTASVWTQNLSQALEYSDRLQAGTVWVNSHTLIDANLPFGGMKQSGTGRDFGPDWLDGWCETKSVCVRY,O=CCc1ccccc1,O=CCc1ccccc1,O=CCc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_308eb415e0beafad654d861d,test
catpreddb_km_km_f0bbc20aad6a8e,catpred_iteration1_km,km,S4UPN4,S4UPN4,MIKGVLVSVLVVVSAVALGLYIDYNNAFTGTAPSPIMQWWGEGKPRLDDGIIKPFKINFPKELLDDLHHRLSNTRPFHPPLDDVGFQYGFNTEFLQTVLDFWRTKYSWEERQNYLNSLPQYTMETQGLQIHFIHVKPKNAKGLHVYPLLLVHGWPGSVREFYDIIPLLTTPREGQDFVFEVVAPSLPGYGFSQATTRHGLGPAQVAVVLRTLMKQLGHKRYYVQGGDWGSIIVTLLAQMTRGDRILGLHTNMAYVMPTTGMMAWQIIGSWYPSVIGDETEQKYVYPMSDHYSFLLEESGYLHLQATKPDTIGVALRDSPMGLAAYILEKFSTWTDRSWKSLKDGGLLKKFKLEALLDNVMIYWMTGTITTSMRLYSEHFNRTHRALGFDQAPVKVPTAIARFPNELANQPRCFLEKKFTNLVQVTDMPTGGHFAAFEEPKLLADDIWDFVSALHHKST,COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C,COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C,COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C>>,public_strict_iteration1_fulltrue_msa,,-1.8601209135987635,,s_41ce9b4feddee416456112e0,test
catpreddb_km_km_f0d6e47a570cea,catpred_iteration1_km,km,P42785,P42785,MGRRALLLLLLSFLAPWATIALRPALRALGSLHLPTNPTSLPAVAKNYSVLYFQQKVDHFGFNTVKTFNQRYLVADKYWKKNGGSILFYTGNEGDIIWFCNNTGFMWDVAEELKAMLVFAEHRYYGESLPFGDNSFKDSRHLNFLTSEQALADFAELIKHLKRTIPGAENQPVIAIGGSYGGMLAAWFRMKYPHMVVGALAASAPIWQFEDLVPCGVFMKIVTTDFRKSGPHCSESIHRSWDAINRLSNTGSGLQWLTGALHLCSPLTSQDIQHLKDWISETWVNLAMVDYPYASNFLQPLPAWPIKVVCQYLKNPNVSDSLLLQNIFQALNVYYNYSGQVKCLNISETATSSLGTLGWSYQACTEVVMPFCTNGVDDMFEPHSWNLKELSDDCFQQWGVRPRPSWITTMYGGKNISSHTNIVFSNGELDPWSGGGVTKDITDTLVAVTISEGAHHLDLRTKNALDPMSVLLARSLEVRHMKNWIRDFYDSAGKQH,CCC(C)C(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N=C(O)C(N)CCCNC(=N)N)C(C)C)C(O)=NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(O)=NC(Cc1ccccc1)C(=O)O,CCC(C)C(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N=C(O)C(N)CCCNC(=N)N)C(C)C)C(O)=NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(O)=NC(Cc1ccccc1)C(=O)O,CCC(C)C(N=C(O)C(Cc1ccc(O)cc1)N=C(O)C(N=C(O)C(N)CCCNC(=N)N)C(C)C)C(O)=NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(O)=NC(Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_8b3636c2da078c826d1a1418,test
catpreddb_km_km_f0e8c2ca8b8be8,catpred_iteration1_km,km,Q9LBS6,Q9LBS6,MLKKTKIVCTQGPSTEKPGVIDALIANGMNCARFNFSHGDHEEHLGRINMVREAAKKAGKVISLILDTKGPEMRLGEFKDGKVMLEKGNKFTLTYDDEPGDETHVSVNHKGLYTEVKPGDTLLLSDGLVALKVDEIKGKDIVTTIQNSGKMSTRKRVAAPGVPLGLPPISEQDAKDIIFGCEQDMDFVAASFIQRPDDVIAIRKLIEEHNGHMEILPKIENLEGVKNFDAILEVSDGIMVARGDLGVEVPAEDVPLIQKEIIRKCNAAGKPVIVATQMLDSMERNPRPTRAEVSDVGNAILDGTDAIMLSGETASGDYPVEAVATMNRIAQRMESSLEYKELYVERGLQHMESRTRAIAHATVQMAYELDAPAIITPTESGYTTKVVSKYRPKAAIVAYTPSEKVLRQLNLRWGVYPVLGTQWSDVDEMISNATAAAVKEDLVQRGDLTIITSGVKMESRTRAIAHATDI,CC(=O)C(=O)O,CC(=O)C(=O)O,CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3187587626244128,,s_bee16503fe05e969c6159de2,test
catpreddb_km_km_f0ec73ca3c465a,catpred_iteration1_km,km,G4NAP4,G4NAP4,MRVLVWIAGLAPLAVAVPSSSYRVAVAARADNTSASVAPSQNVSGAAPPELVVYTLPCEDGNSTARTAEIRLKQATLLYGPSLLGNASYFPGGPLGDAISLRDQTVWEGAAVVQSLRAFTDAAKVAANIKQNGGLNSLDDFKVLYQDGWKGSVPQGIARGQSENYTSDLLFSMERLSVNPYILKRLHPTEDALPFQVDRATVKQLTKTSLKALHAAGRLFVADHSYQRNYTRLANRYSAACTALFYLDPRSNQFLPLAIKTNVGADLTYTPLDTDNNNWLLAKIMFNNNDLFHGQIFHVAYPHAIAEIVHLAALRTMSARHPVLALMERLMYQAYAVRPLGERVLFNKGGLFEQNFAYPQDMVYKFVGDSYPTTGRWRAGYLDTDVRARGLVDADYGPELPHFPFYEDGSRLVEVIRRFVRSFVDATYHESDEMVAKDAELQAWVAEANGPAGVEDFEPGPLDTRERLVEVLTHMAWLTGCAHHVLNQGEPVTASGVLPMHPTALYAPVPTSKANTTADLLGYLPSAQKSVDQVTLLARFNRPDVVPTNQTLRYMFAAPQLLLGNGEAYRRANQRFVRAMGRISDEVKARRFDDRGLSQGMPFIWQALDPGNIPFYLSV,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O,CCCCCC=CCC=CCCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.096910013008056,,s_10729ae42944f3da11c01607,test
catpreddb_km_km_f1048806ca2739,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O=P(O)(O)Oc1cccc2ccccc12,O=P(O)(O)Oc1cccc2ccccc12,O=P(O)(O)Oc1cccc2ccccc12>>,public_strict_iteration1_fulltrue_msa,,-0.0414361167780325,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_f13b5ebf22d049,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-1.5548829824712105,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_f152ed5b3ca3f4,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.0409586076789063,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_f1614c97cd36b1,catpred_iteration1_km,km,Q8GCQ3,Q8GCQ3,MSEEPTVSPPSPEQPAAQPAKPARPAARRAPRKPATRRPRVASPAQKAREEIQAISQKPVALQVASAPHGSSEDSTSASLPANYPYHTRMRRNEYEKAKHDLQIELLKVQSWVKETGQRVVVLFEGRDAAGKGGTIKRFMEHLNPRGARIVALEKPSSQEQGQWYFQRYIQHLPTAGEMVFFDRSWYNRAGVERVMGFCSPLQYLEFMRQAPELERMLTNSGILLFKYWFSVSREEQLRRFISRRDDPLKHWKLSPIDIKSLDKWDDYTAAKQAMFFHTDTADAPWTVIKSDDKKRARLNCIRHFLHSLDYPDKDRRIAHEPDPLLVGPASRVIEEDEKVYAEAAAAPGHANLDIPA,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_633d047b5d80cf3aedb87cbc,test
catpreddb_km_km_f16f8c6fe1a44d,catpred_iteration1_km,km,Q00441,Q00441,MTTVPDLESDSFHVDWYRTYAELRETAPVTPVRFLGQDAWLVTGYDEAKAALSDLRLSSDPKKKYPGVEVEFPAYLGFPEDVRNYFATNMGTSDPPTHTRLRKLVSQEFTVRRVEAMRPRVEQITAELLDEVGDSGVVDIVDRFAHPLPIKVICELLGVDEKYRGEFGRWSSEILVMDPERAEQRGQAAREVVNFILDLVERRRTEPGDDLLSALIRVQDDDDGRLSADELTSIALVLLLAGFEASVSLIGIGTYLLLTHPDQLALVRRDPSALPNAVEEILRYIAPPETTTRFAAEEVEIGGVAIPQYSTVLVANGAANRDPKQFPDPHRFDVTRDTRGHLSFGQGIHFCMGRPLAKLEGEVALRALFGRFPALSLGIDADDVVWRRSLLLRGIDHLPVRLDG,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.583359492661719,,s_cf50d631c1b1309ed4f5653e,test
catpreddb_km_km_f16ffea2fc6d27,catpred_iteration1_km,km,Q8EY89,Q8EY89,MKPTREPQINLFKKSNPYKAKVISNVLLTPETGTGKRPKKEGEALVHRIVLAIDHSAYPYVIGQSGGVIPPGEDPEKKAKGLADVGYTVRLYSIASPSYSFGMKEDNIEFIIKRDNIYDENGNIQFKGVCSNYMCDLKPGDEVTMTGPSGKKFLLPNTDFSGDIMFLATGTGIAPFIGMSEELLEHKLIKFTGNITLVYGAPYSDELVMMDYLKGLESKHKNFKLITAISREEKNSFDGGRMYISHRVREQAEAVKKILNGGGRFYICGGPKGMEKGVIEEIQKISGNTGTYEEFKHHLEGAHQLFVETY,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.709965388637482,,s_b36abe20860d0684777754ae,test
catpreddb_km_km_f1822c2fa51696,catpred_iteration1_km,km,B0VH76,B0VH76,MAEKLKLARSMSLFEEAKQLVPGGVAGIRRPYNFVPGEYPIFFDHGKGGRVVDVDGNEYIDFLCAYGPIIIGYREDEIDDAVINQIKNKGFCFSLTQEMQNTLVKKLRELIPCCEMAALVKTGSDATTIAIRVARGYTGKTKIARYGYHGWHDWCVEVKGGIPPKLYEDIYEFHYNDLDSLKAILEANKDDMAGIIITPIGHPNGAEVQMPKPGYLEAVRELANQYHCLLIFDEIRSGFRCSLGGAQKLFGVTPDLSTFGKAMANGYAIAALVGKEEYMQVLADKVFLSSTFFPNSDGIVAAIKTIEILERDRILDVVAAKGRKFGAEVEKVVEESGVPVNFTGAPWMPYITFKKDEAGLYKKLRTEYYTQLIRHNVFMQPYHHGYICYRHTDEDLAYTVEAIRESLAEVKKML,C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C[C@H](N)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-2.3665315444204134,,s_cb5f03968ec2a3ea41ee648c,test
catpreddb_km_km_f195e5ebf06589,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@H](Cc1ccc(O)cc1)N=C(O)[C@@H](N)C(C)C)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.0409586076789066,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_f1abf04f1792db,catpred_iteration1_km,km,P34736,P34736,MSSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFKKMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSLAQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTPADAAVATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLGDYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRLSALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGNETSAAYKSAIESTHTPHILALTRQNLPQLEGSSIEKASKGGYTLVQQDKADIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSVLPDGVPILSVEVMSTFGWSKYSHQQFGLNRFGASGKAPEIFKLFEFTPEGVAERAAKTVAFYKGKDVVSPLRSAF,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_a8398d2297f36238cd95c90d,test
catpreddb_km_km_f1ba235c600450,catpred_iteration1_km,km,P0CH36,P0CH36,MSTVSAYAATSATEPLTKTTITRRAVGPHDVAFDIHFAGICHSDIHTVKAEWGVPNYPVVPGHEIAGVVTEVGSEVTKYKVGDRVGVGCFVDSCRECDNCKAGLEQYCTGTGMVGTYNAIDRDGTPTHGGYSGAIVVDENYVLRIPDSLPLDAAAPLLCAGITTYSPLRHWNAGPGKKVAVIGLGGLGHVAVKLAKAMGADVTVLSQSLKKMEDGLRLGASAYYATSDPETFDKLAGSFDLILNTVSANLDLGAYLGLLKLDGALVELGLPEHPMEVPAFPLLAQRRNLTGSMIGGIPETQEMLDFCAEHDVRPEIEIITPDYINEAYERVLASDVRYRFVIDTASLRS,OCC=Cc1ccccc1,OCC=Cc1ccccc1,OCC=Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-0.3010299956639812,,s_cae0ff9ac5b239a5d7e8d6aa,test
catpreddb_km_km_f1d3f3431524c2,catpred_iteration1_km,km,Q08257,Q08257,MATGQKLMRAVRVFEFGGPEVLKLRSDIAVPIPKDHQVLIKVHACGVNPVETYIRSGTYSRKPLLPYTPGSDVAGVIEAVGDNASAFKKGDRVFTSSTISGGYAEYALAADHTVYKLPEKLDFKQGAAIGIPYFTAYRALIHSACVKAGESVLVHGASGGVGLAACQIARAYGLKILGTAGTEEGQKIVLQNGAHEVFNHREVNYIDKIKKYVGEKGIDIIIEMLANVNLSKDLSLLSHGGRVIVVGSRGTIEINPRDTMAKESSIIGVTLFSSTKEEFQQYAAALQAGMEIGWLKPVIGSQYPLEKVAEAHENIIHGSGATGKMILLL,CCC(O)/C=C/C=O,CCC(O)/C=C/C=O,CCC(O)/C=C/C=O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_08e3784eb5ad2f98879c2b1a,test
catpreddb_km_km_f1ea4839a09d77,catpred_iteration1_km,km,B0JFD4,B0JFD4,MLRRSVLCAVQHKQLWQRQRSMSSLLCSKALIDGKWVSALSGDTFEVKNPANGKVIGSVPNMNEKDAQMAITAARNAFYSEEWTSLTAKQRSQLLKNWYHLIEKHTQEIAEIMTAESGKPIIESKAEVFYGNAFMEWFAEEARRIYGEIVPTPVPNRELIVMKQPLGVAALITPWNFPLAMITRKAGAALAAGCTVVIKPAEDTPFTALAVAKLAEEAGIPKGVVNVVTSNKAPPIGELFCKSPDVQGISFTGSTEVGKILFRQSADGIKRVSLELGGNAPFIVFDSANLEKAVDGAMASKFRNCGQTCVSSNRFFVQEGIYDKFVAALKERVEALKIGPGDKDTTQVGPLVNAMQFNKVSGFVEDARSKNAEILCGGKPLKELGDLFYAPTVVTNIPPNAKIYTEEVFGPVVSIIKFSTEEEALAKANESRRGLAGYFYSDNIQQIFRVAKRLEVGMVGVNEGLISAAEAPFGGIKESGIGREGSHHGIDEYTEVKYICIGNLKYN,O=Cc1cccc(C(=O)O)c1,O=Cc1cccc(C(=O)O)c1,O=Cc1cccc(C(=O)O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.9507819773298184,,s_f4328dd84240d18560a03152,test
catpreddb_km_km_f1f1fb6ed27c66,catpred_iteration1_km,km,P31228,P31228,MDTVRIAVVGAGVMGLSTAVCISKMVPGCSITVISDKFTPETTSDVAAGMLIPPTYPDTPIQKQKQWFKETFDHLFAIVNSAEAEDAGVILVSGWQIFQSIPTEEVPYWADVVLGFRKMTKDELKKFPQHVFGHAFTTLKCEGPAYLPWLQKRVKGNGGLILTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLKVQAPWVKHFIRDSSGLTYIYPGVSNVTLGGTRQKGDWNLSPDAEISKEILSRCCALEPSLRGAYDLREKVGLRPTRPSVRLEKELLAQDSRRLPVVHHYGHGSGGIAMHWGTALEATRLVNECVQVLRTPAPKSKL,N[C@H](CCCC(=O)O)C(=O)O,N[C@H](CCCC(=O)O)C(=O)O,N[C@H](CCCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.209515014542631,,s_7ed044b1c32ad5147e3cf135,test
catpreddb_km_km_f1f5e270b42986,catpred_iteration1_km,km,Q3ZFI4,Q3ZFI4,MASSLKKLITSFLLFFFYTIIVASSEPSCRRYKSIISFGDSIADTGNYLHLSDVNHPPQAAFLPYGETFFSVPTGRDSDGRLIIDFIAEFLGLPYVPPYFGSQNVSFEQGVNFAVYGATALDRAFFIEKGIVSDFTNVSLSVQLNTFKQILPTLCASSSRDCREMLGDSLILMGESGGNDYNYPFFEDKSINEIKELTPLIIKAISDAIVDLIDLGGKTFLVPGSFPVGCSAAYLTLFQTAKEKDYDPLTGCLPWLNDFGKHHDEQLKTEIRRLRKLYPHVNIMYADYYNSLYRLYQKPTKYGFKNRPLAACCGVGGQYNFTIGEECGYEGVGYCQNPSEYINWDGYHITEAAHQKMAHGILNGPYATPAFNWSCLDAASVDNESSFGS,C[N+](C)(C)CCOC(=O)C=Cc1ccccc1,C[N+](C)(C)CCOC(=O)C=Cc1ccccc1,C[N+](C)(C)CCOC(=O)C=Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_0d1c5c7c65b126e6daf574bd,test
catpreddb_km_km_f1f99a9440a96f,catpred_iteration1_km,km,P18159,P18159,MTWRKSYERWKQTEHLDLELKERLIELEGDEQALEDCFYKDLEFGTGGMRGEIGAGTNRMNIYTVRKASAGFAAYISKQGEEAKKRGVVIAYDSRHKSPEFAMEAAKTLATQGIQTYVFDELRPTPELSFAVRQLNAYGGIVVTASHNPPEYNGYKVYGDDGGQLPPKEADIVIEQVNAIENELTITVDEENKLKEKGLIKIIGEDIDKVYTEKLTSISVHPELSEEVDVKVVFTPLHGTANKPVRRGLEALGYKNVTVVKEQELPDSNFSTVTSPNPEEHAAFEYAIKLGEEQNADILIATDPDADRLGIAVKNDQGKYTVLTGNQTGALLLHYLLSEKKKQGILPDNGVVLKTIVTSEIGRAVASSFGLDTIDTLTGFKFIGEKIKEYEASGQYTFQFGYEESYGYLIGDFARDKDAIQAALLAVEVCAFYKKQGMSLYEALINLFNEYGFYREGLKSLTLKGKQGAEQIEAILASFRQNPPQKMAGKQVVTAEDYAVSKRTLLTESKEEAIDLPKSNVLKYFLEDGSWFCLRPSGTEPKVKFYFAVKGSSLEDSEKRLAVLSEDVMKTVDEIVESTAK,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.157999446227597,,s_f483b62b1f5881770da7a251,test
catpreddb_km_km_f2130fa5f99601,catpred_iteration1_km,km,P23457,P23457,MDSISLRVALNDGNFIPVLGFGTTVPEKVAKDEVIKATKIAIDNGFRHFDSAYLYEVEEEVGQAIRSKIEDGTVKREDIFYTSKLWSTFHRPELVRTCLEKTLKSTQLDYVDLYIIHFPMALQPGDIFFPRDEHGKLLFETVDICDTWEAMEKCKDAGLAKSIGVSNFNCRQLERILNKPGLKYKPVCNQVECHLYLNQSKMLDYCKSKDIILVSYCTLGSSRDKTWVDQKSPVLLDDPVLCAIAKKYKQTPALVALRYQLQRGVVPLIRSFNAKRIKELTQVFEFQLASEDMKALDGLNRNFRYNNAKYFDDHPNHPFTDE,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-2.7958800173440754,,s_8f14f141e3e39a13912b6115,test
catpreddb_km_km_f25d9d8a6670bc,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CCCCC=O,CCCCC=O,CCCCC=O>>,public_strict_iteration1_fulltrue_msa,,-0.0740365607962968,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_f28544ebfabdc9,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1ccn([C@H]2C[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@H]3O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@H]3O)[C@@H](CO)O2)c(O)n1,N=c1ccn([C@H]2C[C@@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C[C@H]3O)[C@@H](CO)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_f2a59f96ad99ef,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.537602002101044,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_f2b32b0347680d,catpred_iteration1_km,km,Q9BYF1,Q9BYF1,MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKNQMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDNSLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENPYASIDISKGENNPGFQNTDDVQTSF,CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H](N)Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8996294548824368,,s_87630d0ccd9e8de7f77cb47c,test
catpreddb_km_km_f2b81b8df5dd35,catpred_iteration1_km,km,E2JA31,E2JA31,MSILNNKEVIVIIDAWSGGKHLIPAFQALGYFCLHVQSTFLPEVFIADNQLAIARSDRHIVHDGNIETLLSQLQPYTIKAILAGSEGAVGLADCLNDALELTFSNQFELSAARRNKYLMQEQLALKGVASINQQLAGHSDELKQWLAGHAHWPVVLKPIQSAGTDGVFICHDLAQALQAFEAILAKKDFFGSPNREVLCQEFLAGEEFVVNGIACQGEYFFTELWQSKKQQRNGFPVYETQYLHYQNDAGFDVLTAYTVQVCQTLGINNGAFHAEVMMTSGGPVLIEIGARVAGGADPYIIEECLGHSQISKLAQAVLHPAKFLQECRRQHDFSGHRRAAYVYMISPSPGRVQVSPEEKFIKIDGVISINYHYAPGDIQQETCDLLSSPGVIIAIRDNPALLKQTIAEIRDVEADFYHLGLIDE,N[C@@H](CN=C(O)[C@@H]1O[C@H]1C(=O)O)C(=O)O,N[C@@H](CN=C(O)[C@@H]1O[C@H]1C(=O)O)C(=O)O,N[C@@H](CN=C(O)[C@@H]1O[C@H]1C(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.275724130399211,,s_dd231b207901506b1bef7a84,test
catpreddb_km_km_f2ba8edebb9f11,catpred_iteration1_km,km,K7NBW3,K7NBW3,MEKGDTHILVFPFPSQGHINPLLQLSKRLIAKGIKVSLVTTLHVSNHLQLQGAYSNSVKIEVISDGSEDRLETDTMRQTLDRFRQKMTKNLEDFLQKAMVSSNPPKFILYDSTMPWVLEVAKEFGLDRAPFYTQSCALNSINYHVLHGQLKLPPETPTISLPSMPLLRPSDLPAYDFDPASTDTIIDLLTSQYSNIQDANLLFCNTFDKLEGEIIQWMETLGRPVKTVGPTVPSAYLDKRVENDKHYGLSLFKPNEDVCLKWLDSKPSGSVLYVSYGSLVEMGEEQLKELALGIKETGKFFLWVVRDTEAEKLPPNFVESVAEKGLVVSWCSQLEVLAHPSVGCFFTHCGWNSTLEALCLGVPVVAFPQWADQVTNAKFLEDVWKVGKRVKRNEQRLASKEEVRSCIWEVMEGERASEFKSNSMEWKKWAKEAVDEGGSSDKNIEEFVAMLKQT,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21>>,public_strict_iteration1_fulltrue_msa,,-1.262012673666569,,s_149cd835f6a77fca4008caab,test
catpreddb_km_km_f2c945b0485d6e,catpred_iteration1_km,km,Q09131,Q09131,MGVVEGLLALALVLSACVMCNGGSSSPFIRKVEKTVDMPLDSDVFAVPPGYNAPQQVHITQGDLVGKAVIVSWVTVDEPGSSEVHYWSENSDKKKIAEGKLVTYRFFNYSSGFIHHTTIRNLEYKTKYYYEVGLGNTTRQFWFVTPPEIGPDVPYTFGLIGDLGQSFDSNKTLSHYELNPRKGQTVLFVGDLSYADNYPNHDNIRWDSWGRFTERSVAYQPWIWTAGNHENHFAPEIGETVPFKPYTHRYHVPYKASQSTSPFWYSIKRASAHIIVLASYSAYGKYTPQYKWLEKELPKVNRTETPWLIVLMHSPWYNSYNYHYMEGETMRVMYEPWFVQYKVDVVFAGHVHAYERSERVSNVAYNIVNGLCAPVNDKSAPVYITIGDGGTLEGLATNMTEPQPKYSAFREASFGHAIFDITNRTHAHYSWHRNQDGVAVEADSLWSFNRYWHPVDDSTAHVSH,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO>>,public_strict_iteration1_fulltrue_msa,,-1.5228787452803376,,s_140aab011c2ec3f979562c0c,test
catpreddb_km_km_f2f291daa3a9bc,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)c1cccnc1,O=C(O)CN=C(O)c1cccnc1,O=C(O)CN=C(O)c1cccnc1>>,public_strict_iteration1_fulltrue_msa,,0.2787536009528289,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_f300e23247c723,catpred_iteration1_km,km,P53004,P53004,MNAEPERKFGVVVVGVGRAGSVRMRDLRNPHPSSAFLNLIGFVSRRELGSIDGVQQISLEDALSSQEVEVAYICSESSSHEDYIRQFLNAGKHVLVEYPMTLSLAAAQELWELAEQKGKVLHEEHVELLMEEFAFLKKEVVGKDLLKGSLLFTAGPLEEERFGFPAFSGISRLTWLVSLFGELSLVSATLEERKEDQYMKMTVCLETEKKSPLSWIEEKGPGLKRNRYLSFHFKSGSLENVPNVGVNKNIFLKDQNIFVQKLLGQFSEKELAAEKKRILHCLGLAEEIQKYCCSRK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_11342393ff618e3c41413bb9,test
catpreddb_km_km_f35a1e04e1ec15,catpred_iteration1_km,km,O59952,O59952,MRSSLVLFFVSAWTALASPIRREVSQDLFNQFNLFAQYSAAAYCGKNNDAPAGTNITCTGNACPEVEKADATFLYSFEDSGVGDVTGFLALDNTNKLIVLSFRGSRSIENWIGNLNFDLKEINDICSGCRGHDGFTSSWRSVADTLRQKVEDAVREHPDYRVVFTGHSLGGALATVAGADLRGNGYDIDVFSYGAPRVGNRAFAEFLTVQTGGTLYRITHTNDIVPRLPPREFGYSHSSPEYWIKSGTLVPVTRNDIVKIEGIDATGGNNQPNIPDIPAHLWYFGLIGTCL,C=COC(=O)CCCCCCCCCCC,C=COC(=O)CCCCCCCCCCC,C=COC(=O)CCCCCCCCCCC>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_c6cb4fa8a559c00f4f75196a,test
catpreddb_km_km_f3635803e1fc73,catpred_iteration1_km,km,O70631,O70631,MARKQPHSWLNAVLFGLLLILIHVWGQDSPESSSIRTTHTGQVRGKLDHVRDTKAGVHTFLGIPFAKAPVGPLRFAPPEDPEPWSGVRDGTSHPAMCLQNIDMLDEVGLTDMKMILSSIPMSEDCLYLNIYTPAHAHEGSNLPVMVCIHGGALVIGMASMCDGSLLAVNEDLVVVAIQYRLGVLGFFSTGDEHARGNWGYLDQVAALRWVQQNIAHFGGNPNRVTIFGVSAGGTSVSSHVISPMSQGLFHGAIMESGVALLPDLISETSETVSTTVAKLSGCEATDSETLVRCLRAKSGAEILVINKVFKMIPAVVDGEFLPRHPKELLASEDFHPVPSIIGVNTDEYCCTIPMVMGTAQIIKELSRENLQAVLKDTAAQMMLPPECGDLLMEEYMGNTDDPQTLQIQYAEMMGDFLFVIPALQVAHFQRSHAPVYFYEFQHAPSYFKNVRPPHVKADHADEVPFVFGSFFWGIKVDFTEEEKLLSRRMMKYWANFARHGNPNSEGLPYWPVLDHDEQYLQLDTQPAVDRALKARRLQFWTKTLPQKIQELNGAQKNHAEL,CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C,CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C>>,public_strict_iteration1_fulltrue_msa,,0.6989700043360189,,s_fc89ee61a71a604a82dc3eae,test
catpreddb_km_km_f36b3e153a7758,catpred_iteration1_km,km,Q5ZVC1,Q5ZVC1,MTIPDKIKAVYEKSTCLYTSNEVEAALDRMAIKIHETLQDKNPVIICVMVGGLVPLGNLLHRLDFPLEVDYVHATRYRGDLTGGDILWKVRPSSNLAGRTVLVVDDILDGGITLAAIINEIKAMGAAEVYSAVLVDKYRKRVPNGLQKADFVGLQVEDHYIFGYGMDYHEYLRNAPGIFIVHPDHEASK,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_e784d9015bb086ef86b734e3,test
catpreddb_km_km_f39c85b4f0527f,catpred_iteration1_km,km,Q8RDE9,Q8RDE9,MKKFLCGVDLGGTKISTGIVDENGNIIKSIKIPTMAEKGPDVVIERIEESIYQVLKDTGLEMSNLKGIGIGSPGPLNAKKGIVISPPNLPHWSNVPIVEILSKRLGIEVRLENDANAAAIGEHLFGSGRGVDNFVYITVSTGIGGGVIIEGKLYSGENSNAAEIGHHTINFDGPRCNCGNYGCFEAYASGTAIARFAREGIEKGIKTKIKELAGEGEVKAEHVFEAAKLGDEFAKELVEKEAFYLGVGIANIMAFYNPRKIAIGGGVSAQWDMLYEKMMETVRKKALKPNAEVCEVVKAQLGENIGVLGAAALLL,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.380211241711606,,s_503fb8216945baf1e9bd7502,test
catpreddb_km_km_f39d36d149ac3c,catpred_iteration1_km,km,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCCCC(=O)NCCO,CCCCCCCCCCCCCCCC(=O)NCCO>>,public_strict_iteration1_fulltrue_msa,,-1.2941362877160807,,s_d02e45ef02098b997a7f78aa,test
catpreddb_km_km_f39f0fd96ab8f6,catpred_iteration1_km,km,M9Z1G5,M9Z1G5,MALSMDNIVISNEEEIYMMKAMHIPCGLYLNMVLKAAIELDLFEIIAKSTTQKLSSYEIASQIPTKNPNASSLVLERILRFLASQSFLTCNITKNDDGIVHTSYNLTPLSQSLISDKDGSSIAPFLLLATDPVAVNSWFHFKDAILEGEIPFNKAHGVHAFEYHGKDSRMNGLFNRAMQNVTCTEMKRIVECYNGFQGVKEIIDVGGGLGISLATIISKYPNIKGINFDLPHVIKDAPTYEGIEHVGGDMFKSVPQRELILLKAILHDWDDEYCVKILKNCWRALPKDGKVVVIEQMQPEYPETNLISKNSSSVDMLMMTMLDGGKERTKQQFEDLAKQAGFTVFKIVARAYYCWVIELYK,COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1,COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1,COc1cc(O)c2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc2c1>>,public_strict_iteration1_fulltrue_msa,,-2.000869458712629,,s_7d63982e25dfe2080c9a3604,test
catpreddb_km_km_f3a0b4c4960b7b,catpred_iteration1_km,km,F6BL85,F6BL85,MRKVIILLFIFIFTISAILTGCSEKININEDKISHKIDIPDSAWTIGIGEKFKNAGHPNVKYPMIDDSYVQGAPLGGFGAGTIGRTYNGGFSRWHLEIGKNKYTTVYANQFSVFQKVEGNKDGVAQVLYAGEPENGYLSSWKWDYPKESGMYYALYPNSWYTYTNKDLPVQLAVKQFSPIIPYNYKETSYPVAVFKWTAYNPTNKNVDVSIMFTWQNMIGFFGKQVNVNSGNFNKIIKDKSKDSEIVAAVMGNISNDNEEWNGEYSIGVKKVPGVDISYKAKFVTTGDGSDLWHEFSKNGILDNKDDETPTKQDGIGSAIAVNFKLQPGQTIEVPFALSWDLPIMKFGGGDKWYKMYTKYFGKNGKNSFAILKEALNNYQKWEKMIDDWQKPILSNKSKPDWYKTALFNELYYLADGGTAWENGKVGEKDKRTNNMFGLLECFDYNYYETLDVRFYGSFPLVMLWPDIEKQVMRQFADTINVQDSSEFKVGSNGAMAVKKVQGMIPHDLGSSYALPWIKINAYDWQNPNIWKDLNSKYVLLVYRDYVLTGKTDKEFLKYTWKSVKTALDKLKEMDKDNDGIPDNEGIPDQTYDTWSMKGTSAYCGSLWLAALKAAQEIGKVLKDNEAYIKYNEWYKIAQQNFEKELWNGEYYNFDTESDHKDSIMADQLAGQWYADILRLGDILPKDHVQKALKKIYEFNVMKFENGKMGAVNGMRPDGIVDESDIQAQEVWTGVTYALASFMKYRGMTEEAYNTAYGVYKMTYDKSGKGYWFRTPEAWTKDGNYRASMYMRPLSIWSMEVNYNEV,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.5686362358410126,,s_3e77477216a36cf6ae48eafe,test
catpreddb_km_km_f3ba808d43767f,catpred_iteration1_km,km,E3NZ06,E3NZ06,MKIAVIGQSLFGQEVYKELKNEGHMIVGVFTIPDKDGKVDPLAIEAEKDGVPVFKFPRWRLKGKAITEVVDQYKAVGAELNVLPFCSQFIPMEVIDHPKHGSIIYHPSLLPRHRGASAINWTLIHGDKKGGFTVFWADDGLDTGPILLQRECDVEPNDNVNSIYKRFLFPEGVKGMVEAVRLIATGKAPRIKQPEEGATYECIQKKENSKIDWNQPAEAIHNWIRGNDRVPGAWAEIDGKSVSFYGSTLLENDHFSSNGQPLEIPGASRAALVTKNGLVLFGNDGKMLLVKNLQFEDGKMIPGSQYFKAGVTSTVELSEDENRFAEQMRVVWKSILTNVEKIEDTTDFFKSGAASMDVVRLVEEVKLRAAQLQLQNEDVYMATSFQEFIQMCVRKLRGEDEEEEFNVDYVEKKLNNMTIHIPHQLFINGEFVDAEGGKTYKSINPTDGQAICDVSLAQISDVEKAVAAAKEAFEEGEWGKMNPRDRGKLLYKLADLMEQHQEELATIESIDSGAVYTLALKTHIGMSIQTFRYFAGWCDKIQGCTIPINQARPNRNLTFTKKEPIGVCGIVIPWNYPLMMLAWKTAACLAAGNTVVLKPAQVTPLTALKFAELTALAKFPKGVVNILPGSGSLVGQRLSDHPDVRKLGFTGSTEIGKHIMKSCAVSNVKKVSLELGGKSPLIIFNDCDLDKAVRMGMSSVFFNKGENCIAAGRLFIEESIHDIFLERVVSEIRKMKIGDPLDRSTDHGPQNHKAHLDKLVEYCEKGVKEGAKLVCGGKQVERPGFFFEPTVFTDVQDHMYIAVEESFGPVMIISKFSNGEVDKVLQRANATEFGLASGVFTRDISKALYVSEKLQAGTVFINTYNKTDVAAPFGGFKQSGFGKDLGQEALNEYLKTKCVTVEY,N=c1nc(O)c2c([nH]1)NCC(CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NCC(CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,N=c1nc(O)c2c([nH]1)NCC(CN(C=O)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2>>,public_strict_iteration1_fulltrue_msa,,-1.8515358403447908,,s_7bcdec76f899735f0e547cb7,test
catpreddb_km_km_f3cdeceab6ce28,catpred_iteration1_km,km,Q94JQ3,Q94JQ3,MQACCGGNSMASLQQPGRVQGSVFPPIMPPVTKFSQQLKFNISKPFRSSFLKRNLVSEMRASSVSLPNVEISSKEIPFEDYGLGEVDPEVRTIITKEKDRQFRSLELIASENFTSRAVMEAVGSCLTNKYSEGLPGKRYYGGNEYIDQLETLCQNRALAAFRLDSTKWGVNVQPLSGSPANFAVYTAILSPHDRIMGLDLPHGGHLSHGFMTAKRRVSGTSIYFESMPYRLDESTGIVDYDMLEKTATLFRPKLIIAGASAYSRDFDYPRMRKIADSVGAFLMMDMAHISGLVAASVVADPFEYCDIVTTTTHKSLRGPRGGMIFFRKDPINGVDLESAVNNAVFPGLQGGPHNHTIGGLAVCLKHAQSPEFKAYQKRVVSNCRALANRLVELGFKLVSGGSDNHLVLVDLRPMGMDGARVEKILDMASITLNKNSVPGDKSALVPGGIRIGSPAMTTRGLSEKDFVVVADFIKEGVEITMEAKKAAPGSKLQDFNKFVTSPEFPLKERVKSLKERVETFTSRFPIPGV,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2,Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1)CN2>>,public_strict_iteration1_fulltrue_msa,,-2.51427857351842,,s_99194f0d2881984ce5dbff5f,test
catpreddb_km_km_f3d3210dafa5c0,catpred_iteration1_km,km,A2RU49,A2RU49,MSSGNYQQSEALSKPTFSEEQASALVESVFGLKVSKVRPLPSYDDQNFHVYVSKTKDGPTEYVLKISNTKASKNPDLIEVQNHIIMFLKAAGFPTASVCHTKGDNTASLVSVDSGSEIKSYLVRLLTYLPGRPIAELPVSPQLLYEIGKLAAKLDKTLQRFHHPKLSSLHRENFIWNLKNVPLLEKYLYALGQNRNREIVEHVIHLFKEEVMTKLSHFRECINHGDLNDHNILIESSKSASGNAEYQVSGILDFGDMSYGYYVFEVAITIMYMMIESKSPIQVGGHVLAGFESITPLTAVEKGALFLLVCSRFCQSLVMAAYSCQLYPENKDYLMVTAKTGWKHLQQMFDMGQKAVEEIWFETAKSYESGISM,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0915149811213502,,s_dd249254cd4a1f1e10d048d7,test
catpreddb_km_km_f3de6ea503b3c1,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-1.9913998282380825,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_f4006eea5ff6d6,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_f40445a603347b,catpred_iteration1_km,km,Q9FZ80,Q9FZ80,MESKTINDVVVSESNHELASSSPSEFEKNQKHYQEIIATLPHKDGWRPKDPFVEYGGHWWLQPLLEGLLHAQKFFKARPNDFFVCSYPKTGTTWLKALTFAIANRSKFDVSTNPLLKRNPHEFVPYIEIDFPFFPSVDVLKDEGNTLFSTHIPYDLLPESVVKSGCKIVYIWRDPKDTFVSMWTFAHKERSQQGPVVSIEEAFDKYCQGLSAYGPYLDHVLGYWKAYQANPDQILFLKYETMRADPLPYVKRLAEFMGYGFTKEEEEGNVVEKVVKLCSFETLKNLEANKGEKDREDRPAVYANSAYFRKGKVGDWQNYLTPEMVARIDGLMEEKFKGTGFLSSKS,CSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,CSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.055517327849831,,s_b47d79f0e22cf86dfe36ec07,test
catpreddb_km_km_f40ee43fa2a2bb,catpred_iteration1_km,km,O15460,O15460,MKLWVSALLMAWFGVLSCVQAEFFTSIGHMTDLIYAEKELVQSLKEYILVEEAKLSKIKSWANKMEALTSKSAADAEGYLAHPVNAYKLVKRLNTDWPALEDLVLQDSAAGFIANLSVQRQFFPTDEDEIGAAKALMRLQDTYRLDPGTISRGELPGTKYQAMLSVDDCFGMGRSAYNEGDYYHTVLWMEQVLKQLDAGEEATTTKSQVLDYLSYAVFQLGDLHRALELTRRLLSLDPSHERAGGNLRYFEQLLEEEREKTLTNQTEAELATPEGIYERPVDYLPERDVYESLCRGEGVKLTPRRQKRLFCRYHHGNRAPQLLIAPFKEEDEWDSPHIVRYYDVMSDEEIERIKEIAKPKLARATVRDPKTGVLTVASYRVSKSSWLEEDDDPVVARVNRRMQHITGLTVKTAELLQVANYGVGGQYEPHFDFSRNDERDTFKHLGTGNRVATFLNYMSDVEAGGATVFPDLGAAIWPKKGTAVFWYNLLRSGEGDYRTRHAACPVLVGCKWVSNKWFHERGQEFLRPCGSTEVD,CC(C)[C@@](N)(C(=O)CN)C(=O)C1CC[C@H](C(=O)C(N)C(=O)[C@@](N)(C(=O)O)C(C)C)N1,CC(C)[C@@](N)(C(=O)CN)C(=O)C1CC[C@H](C(=O)C(N)C(=O)[C@@](N)(C(=O)O)C(C)C)N1,CC(C)[C@@](N)(C(=O)CN)C(=O)C1CC[C@H](C(=O)C(N)C(=O)[C@@](N)(C(=O)O)C(C)C)N1>>,public_strict_iteration1_fulltrue_msa,,1.1172586417563433,,s_eb720b10ca28b34c7bc7c7ea,test
catpreddb_km_km_f415acba2d0df9,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)N=C(O)[C@H](C)N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_f420504cae8fbd,catpred_iteration1_km,km,X5JAK9,X5JAK9,MLHLLSFAFIGANAFALSVGPRATLTLTNDVVAPDGFERSAIVVNGGHPGPLIQANKGDAYTINVVNRLTDSTMQRVSSIHWHGLSQRGTNWADGGSGVNQCPISPNHSFEYQFSGRKDQAGTFWYHSHYSIQYCDGLRGPLVIYDPNDPFKNLYDVDDESTVITLTDWYHTPFPSVTGPPTSDSTLINGKGRYPGGPNVDLSVINVERGKRYRFRLVALTCENSHLFGIDGHQLLVIETGGESTVPTLVDKITLLAGQRYSFVLDANQAVDNYWIRGLPRSGVPSLKAGYEGGLNSAILRYQGAPITEPQTTDNENAALLDEAQLVPTRNPFAPGRPTSGGADFNVTVNFELDLTTGSPHFKLNGKIYQPPTVPILLQIISGARKAEELLPEGNIYFVPRNKVVEVTVPGGIPGAPHPMHLHGHHFSVVKSAGKHNQVNYLTPVRRDTTASPVEVDDNTTIRFTTDSPGPWIFHCHFNKHQSIGMAVVFVADIDEVAEKNPTPDAWNDLCPIYQSLSESETVVEIVPMVKH,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,COc1cc(/C=N/N=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-0.6903698325741012,,s_55a74685ac62fb5c184ff381,test
catpreddb_km_km_f4285ea0a839b9,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.3949626077485138,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_f42e80f16d88c5,catpred_iteration1_km,km,P08069,P08069,MKSGSGGGSPTSLWGLLFLSAALSLWPTSGEICGPGIDIRNDYQQLKRLENCTVIEGYLHILLISKAEDYRSYRFPKLTVITEYLLLFRVAGLESLGDLFPNLTVIRGWKLFYNYALVIFEMTNLKDIGLYNLRNITRGAIRIEKNADLCYLSTVDWSLILDAVSNNYIVGNKPPKECGDLCPGTMEEKPMCEKTTINNEYNYRCWTTNRCQKMCPSTCGKRACTENNECCHPECLGSCSAPDNDTACVACRHYYYAGVCVPACPPNTYRFEGWRCVDRDFCANILSAESSDSEGFVIHDGECMQECPSGFIRNGSQSMYCIPCEGPCPKVCEEEKKTKTIDSVTSAQMLQGCTIFKGNLLINIRRGNNIASELENFMGLIEVVTGYVKIRHSHALVSLSFLKNLRLILGEEQLEGNYSFYVLDNQNLQQLWDWDHRNLTIKAGKMYFAFNPKLCVSEIYRMEEVTGTKGRQSKGDINTRNNGERASCESDVLHFTSTTTKYGSQVEDQRECVSRQEYRKYGGAKLNRLNPGNYTARIQATSLSGNGSWTDPVFFYVQAKTGYENFIHLIIALPVAVLLIVGGLVIMLYVFHRKRNNSRLGNGVLYASVNPEYFSAADVYVPDEWEVAREKITMSRELGQGSFGMVYEGVAKGVVKDEPETRVAIKTVNEAASMRERIEFLNEASVMKEFNCHHVVRLLGVVSQGQPTLVIMELMTRGDLKSYLRSLRPEMENNPVLAPPSLSKMIQMAGEIADGMAYLNANKFVHRDLAARNCMVAEDFTVKIGDFGMTRDIYETDYYRKGGKGLLPVRWMSPESLKDGVFTTYSDVWSFGVVLWEIATLAEQPYQGLSNEQVLRFVMEGGLLDKPDNCPDMLFELMRMCWQYNPKMRPSFLEIISSIKEEMEPGFREVSFYYSEENKLPEPEELDLEPENMESVPLDPSASSSSLPLPDRHSGHKAENGPGPGVLVLRASFDERQPYAHMNGGRKNERALPLPQSSTC,N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.6345120151091003,,s_215f29f7c2049b132e725df1,test
catpreddb_km_km_f4537beeb33468,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC[C@H](C)[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_f45b5c8f2e6552,catpred_iteration1_km,km,P21642,P21642,MFWLRGGAQSCRGGETEDRMQRGMWGVGLARRRLSTSLSALPAAARDFVEEAVRLCRPREVLLCDGSEEEGKELLRGLQDDGVLHPLPKYDNCWLARTDPRDVARVESKTVLVTPEQSDAVPPPPPSGGPPQLGNWMSPNAFQAAVQERFPGCMAGRPLYVIPFSMGPPTSPLAKLGVQVTDSPYVVLSMRIMTRVGPAVLQRLDDDFVRCLHSVGRPLPLTEPLVSSWPCDRSPVLVAHIPSERRIVSFGSGYGGNSLLGKKCFALRIASRMAQQQGWLAEHMLILGVTSPSGEKRYMAAAFPSACGKTNLAMMTPSLPGWRIHCVGDDIAWMKFDDEGRLRAINPERGFFGVAPGTSSRTNPNAMATIARNTIFTNVGLRSDGGVYWDGLDEPTEPGVTYTSWLGKPWKHGDPEPCAHPNSRFCAPADQCPIMDPRWDDPEGVPIDAIIFGGRRPRGVPLVVEAFGWRHGVFMGSAMRSEATAAAEHKGGRLMHDPFAMRPFFGYNAGRYLEHWLSTGLRSNARLPRLFHVNWFLRDNEGRFVWPGFGHNARVLAWIFGRIQGRDTARPTPIGWVPKEGDLDLGGLPGVDYSQLFPMEKGFWEEECRQLREYYGENFGADLPRDVMAELEGLEERVRKM,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O,C=C(OP(=O)(O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8838919365638591,,s_d41fba0c5b340501d312a097,test
catpreddb_km_km_f46b903e9cc542,catpred_iteration1_km,km,F0NDQ1,F0NDQ1,MPLDPRIKELLESGFIVPIGKASVDEVRKIFRQLASAAPKVEVGKVEDIKIPGSEANINARVYLPKANGPYGVLIYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWVYNNLDKFDGKMGVAIAGDSAGGNLAAVVALLSKGKLNLKYQILIYPAVGFDSVSRSMIEYSDGFFLTREHIEWFGSQYLRSPADLLDFRFSPILAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIEQGRDAISLIGSVLRRTFYDKS,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-1.5538997476107728,,s_62ffefe9cd72bf252ae40b3e,test
catpreddb_km_km_f479b00c4ca592,catpred_iteration1_km,km,Q9I3T5,Q9I3T5,MLSVYSDDHRLHFGQSELVDGKLQPCFEMPSRADTVLARVKSQNLGEVIAPKDFGREPLLRLHDAAYLDFLQGAWARWTAEGHSGDLVSTTFPGRRLRRDGPIPTALMGELGYYSFDTEAPITAGTWQAIYSSAQVALTAQEHMRQGARSAFALCRPPGHHAGGDFMGGYCFLNNAAIATQAFLDQGARRVAILDVDYHHGNGTQDIFYRRDDVLFASIHGDPRVEYPYFLGYADERGEGAGEGCNHNYPLAHGSGWDLWSAALDDACVRIAGYAPDALVISLGVDTYKEDPISQFRLDSPDYLRMGERIARLGLPTLFIMEGGYAVEAIGINAVNVLQGYEGAAR,CC(O)=NCCCCN,CC(O)=NCCCCN,CC(O)=NCCCCN>>,public_strict_iteration1_fulltrue_msa,,-0.2984320149440726,,s_64d8728dca5ed5459d934dee,test
catpreddb_km_km_f48cb3ac8f24f6,catpred_iteration1_km,km,P9WGR1,P9WGR1,MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.9679636744125908,,s_d9241b63fbac3c7e22a88593,test
catpreddb_km_km_f4c6ade33e779e,catpred_iteration1_km,km,P56742,P56742,MNVFFMFSLLFLAALGSCAHDRNPLEECFRETDYEEFLEIAKNGLTATSNPKRVVIVGAGMAGLSAAYVLAGAGHQVTVLEASERVGGRVRTYRKKDWYANLGPMRLPTKHRIVREYIKKFDLKLNEFSQENENAWYFIKNIRKRVREVKNNPGLLEYPVKPSEEGKSAAQLYVESLRKVVKELKRTNCKYILDKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFGYEKRFDEIVGGMDQLPTSMYEAIKEKVQVHFNARVIEIQQNDREATVTYQTSANEMSSVTADYVIVCTTSRAARRIKFEPPLPPKKAHALRSVHYRSGTKIFLTCKKKFWEDDGIRGGKSTTDLPSRFIYYPNHNFTSGVGVIIAYGIGDDANFFQALDFKDCADIVINDLSLIHQLPKEDIQTFCRPSMIQRWSLDKYAMGGITTFTPYQFQHFSEALTAPFKRIYFAGEYTAQFHGWIDSTIKSGLTAARDVNRASENPSGIHLSNDNEF,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O,N[C@@H](Cc1ccc(O)cc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8036515233701671,,s_f9506aedb3f92081e7f38e21,test
catpreddb_km_km_f4c7e5fb5685ee,catpred_iteration1_km,km,Q831B2,Q831B2,MSKLLVVKAHPLTKEESRSVRALETFLASYRETNPSDEIEILDVYAPETNMPEIDEELLSAWGALRAGAAFETLSENQQQKVARFNELTDQFLSADKVVIANPMWNLNVPTRLKAWVDTINVAGKTFQYTAEGPKPLTSGKKALHIQSNGGFYEGKDFASQYIKAILNFIGVDQVDGLFIEGIDHFPDRAEELLNTAMTKATEYGKTF,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.8861457900106998,,s_7cf2cc94ccdd370c45eab380,test
catpreddb_km_km_f4ed1ea2aeacac,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O,CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.6020599913279625,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_f4f73ca6ea76be,catpred_iteration1_km,km,Q9KQ59,Q9KQ59,MFKSQTAILPEAGPFALYTLLKVRQNHAHVLQALKALPALVEEINQNQPGAELTVSVAFSKGFWSHFEMASPPELIDFPELGEGETHAPSTDVDVLIHCHATRHDLLFYTLRKGISDIAQDIEIVDETYGFRYLDARDMTGFIDGTENPKAEKRAEVALVADGDFAGGSYVMVQRFVHNLPAWNRLNLAAQEKVIGRTKPDSVELENVPAASHVGRVDIKEEGKGLKIVRHSLPYGSVSGDHGLLFIAYCHTLHNFKTMLESMYGVTDGKTDQLLRFTKAVTGAYFFAPSQVMLQELTLKNQ,COc1ccccc1O,COc1ccccc1O,COc1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_3cbca65e461c0a174ffca49a,test
catpreddb_km_km_f50b0c6bc3d258,catpred_iteration1_km,km,Q75WF1,Q75WF1,MPPSDPIIVLGAGVIGLTTAVRLLEAHLGANVHILADHWPSDALDAQYASTIAGAHHLSFADDGDARQRRWDMRTFDVLYDEWKAVGERTGLMALTQTEMWEGATSHLAVYEGNPDFRVLDPRTAPCSNITHMVSFTSLTIAPTVYLAALEARVRDLGAKLHRAHVPSLGALRTDPALLALYTRPPAAVFVCAGLGARHLVPAPEAAALFPTRGQVVVVRAPWMRAGFTRQVGSLGGGEGGTRTYIIPRCNGEVVLGGTMEQGDWTPYPRDETVTDILTRALQICPDIAPPYARSWPKDDQVAALRSIVVRDAVGFRPSRAGGARVALASAAGMRVVYNYGHGGAGWQSCWGCAEDAVALWAGGAGGARL,N[C@H](CCC(=O)O)C(=O)O,N[C@H](CCC(=O)O)C(=O)O,N[C@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.6046742835976977,,s_74cdd8566f34570e4d30f31c,test
catpreddb_km_km_f5119fb69c7add,catpred_iteration1_km,km,B0JFD4,B0JFD4,MLRRSVLCAVQHKQLWQRQRSMSSLLCSKALIDGKWVSALSGDTFEVKNPANGKVIGSVPNMNEKDAQMAITAARNAFYSEEWTSLTAKQRSQLLKNWYHLIEKHTQEIAEIMTAESGKPIIESKAEVFYGNAFMEWFAEEARRIYGEIVPTPVPNRELIVMKQPLGVAALITPWNFPLAMITRKAGAALAAGCTVVIKPAEDTPFTALAVAKLAEEAGIPKGVVNVVTSNKAPPIGELFCKSPDVQGISFTGSTEVGKILFRQSADGIKRVSLELGGNAPFIVFDSANLEKAVDGAMASKFRNCGQTCVSSNRFFVQEGIYDKFVAALKERVEALKIGPGDKDTTQVGPLVNAMQFNKVSGFVEDARSKNAEILCGGKPLKELGDLFYAPTVVTNIPPNAKIYTEEVFGPVVSIIKFSTEEEALAKANESRRGLAGYFYSDNIQQIFRVAKRLEVGMVGVNEGLISAAEAPFGGIKESGIGREGSHHGIDEYTEVKYICIGNLKYN,O=CCCC(=O)O,O=CCCC(=O)O,O=CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.5686362358410126,,s_f4328dd84240d18560a03152,test
catpreddb_km_km_f51c44443405d7,catpred_iteration1_km,km,A3MV85,A3MV85,MDKINSRALYTPMHILTFQNALDIAEHFEGLGKVVQVEERTFPDGEVLVRVPEAGPVVVLVARLYPGVNDSVFKLFLALDALNDMGVGRVVVVAPYLPYARQDRRFRPGEPISAKALLKTLANLSVGALVAVDLHKPYIADYVPRVAVRNVYPAEEFAERLKGVDAVVSPDFGSLHRAEAVARILGVPYTYFEKYRDRETGAITLMPRRDLELRGARVAIVDDILSTGGTLVDACKAARTLGASEVYAAVTHCQLLKDAREKAKSCVDRLICTDSILNEFAEVKVGPLLRREVEKLL,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_283d14df641eda865e178887,test
catpreddb_km_km_f51db152656fea,catpred_iteration1_km,km,A0A6A5PY90,A0A6A5PY90,MPAPQDPRNLPIRQQMEALIRRKQAEITQGLESIDTVKFHADTWTRGNDGGGGTSMVIQDGTTFEKGGVNVSVVYGQLSPAAVSAMKADHKNLRLPEDPKTGLPVTDGVKFFACGLSMVIHPVNPHAPTTHLNYRYFETWNQDGTPQTWWFGGGADLTPSYLYEEDGQLFHQLHKDALDKHDTALYPRFKKWCDEYFYITHRKETRGIGGIFFDDYDERDPQEILKMVEDCFDAFLPSYLTIVKRRKDMPYTKEEQQWQAIRRGRYVEFNLIYDRGTQFGLRTPGSRVESILMSLPEHASWLYNHHPAPGSREAKLLEVTTKPREWVK,Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2,Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2,Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2>>,public_strict_iteration1_fulltrue_msa,,-1.610924374808178,,s_78f4691b75e7dbab9eed6c70,test
catpreddb_km_km_f522c869886b27,catpred_iteration1_km,km,Q5W9U0,Q5W9U0,MVQFLSLSSSVAAFFLLSLGIHDVAAAANCVVAPSSGDAAANIVSAFNSCNNGGTVTFTKGVTYNLNSVVTIQGLKHVNVNFAGTINLPARSSSFKNLDHYIELKGDNVQVFGGGTVNGNGQAWYDAQDHTAPTVFRFSLTNSKVSGINIINAPRAHLGVTNSQNLVLDNITLKTVSTSKNLAKNTDALDVSSSQGIIFQNSHLTVGDDCLAVNAGVTNITLNNVNCVGGHGFSVGSLGKGGATENVNLVRILNSSCTNCQNGVRIKTWPGGKGKVSDVKYIGLSLVNVDNPIIITTHYCDQNQESYCNGNDASSLSITGVTISGITGSVSSAGNPIVDIDCSTNTPCTDFTISGVTVNKASNTKKNVCINLQGSSGFPICSQ,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O,O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4315129521210854,,s_85471f35fb7860385479be86,test
catpreddb_km_km_f52e2bc48d822a,catpred_iteration1_km,km,A9QAE5,A9QAE5,MSKQEYDIVVVGSGAAGMTAALTAAHQGLSVVIVEKAAHYGGSTARSGGGVWIPNNEALQADGVTDTPEAARSYLHSIIGDVVAPERIDTYLERGPEMLSFVLKNSPLELQWVPGYSDYYPEAPGGRLGGRSVEPTPFDGNKLGADRKNLEPDYVKAPKNFVITQADYKWLNLLMRNPRGPLRAMKVGMRFLAAKATKKDLLVRGQALVAGIRLGLQSAGVPILLNTPLTSLYTEDGAVRGVNVLIDGEEQVIRARHGVVLGSGGFEHNKEMREKYQRAPIGTEWTVGAKANTGDGIRAGQEVGAAVDFMDDAWWGPSIPLTGGPWFALSERTLPGCMMVNMSGKRFGNEAAPYVEATHAMYGGEYGQGEGAGENIPTWMILDQRYRNRYTFAGITPRSPFPGRWLKAGIVVKAGTIAELAEKTGLPVASLTETVDRFNGFARNGKDEDFGRGDSGYDAYYGDPRLKNPSLAEISKAPFYAIKMVPGDLGTKGGICTDVNGRALREDGSVIDGLYAAGNASAPVMGHTYAGPGATIGPAMTFGYLAVLDIVERAKKAESTEAPAAEKTAVDHAN,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-1.154901959985743,,s_9462ff6b73438ddcb23a8bb3,test
catpreddb_km_km_f53522a6f932cd,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CNC(=O)c1ccc(Br)cc1,O=C(O)CNC(=O)c1ccc(Br)cc1,O=C(O)CNC(=O)c1ccc(Br)cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2839966563652008,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_f53912228b4223,catpred_iteration1_km,km,P52196,P52196,MVHQVLYRALVSTKWLAESIRSGRLGPSLRVLDASWYSPGTRQARKEYQERHVPGASFFDIEECRDTTSPYEMMLPSEAHFGDYVGNLGISNDTHVVVYDGDDLGSFYAPRVWWMFRVFGHRTVSVLNGGFRNWLKEGHPVTSEPSRPEPAVFKATLNLSLLKTYEQVLENLQSKRFQLVDSRAQGRYLGTQPEPDIVGLDSGHIRGSVNMPFMDFLTKDGFEKSPEELRAIFQDKKVDLSQPLIATCRKGVTACHVALAAYLCGKPDVAVYDGSWSEWFRRAPPETRVSQGKSGKA,O=S(=O)(O)[S-],O=S(=O)(O)[S-],O=S(=O)(O)[S-]>>,public_strict_iteration1_fulltrue_msa,,1.5646659217445034,,s_a150731891839dd7a59cb2dd,test
catpreddb_km_km_f53b76a3b70e17,catpred_iteration1_km,km,P00811,P00811,MFKTTLCALLITASCSTFAAPQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ,COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C,COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C,COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C>>,public_strict_iteration1_fulltrue_msa,,-2.7569619513137056,,s_431fc32e05c18762846532fd,test
catpreddb_km_km_f540f7b27e82dd,catpred_iteration1_km,km,F8S114,F8S114,MVLIRVLANLLILQLSYAQKSSELVIGGDECNINEHRFLVALYDYWSQSFLCGGTLINEEWVLTAKHCDRTHILIYVGVHDRSVQFDKEQRRFPKEKYFFDCSNNFTKWDKDIMLIRLNKPVSYSEHIAPLSLPSSPPIVGSVCRAMGWGQTTSPQETLPDVPHCANINLLDYEVCRTAHPQFRLPATSRTLCAGVLEGGIDTCNRDSGGPLICNGQFQGIVFWGPDPCAQPDKPGLYTKVFDHLDWIQSIIAGEKTVNCPP,N=C(N)NCCC[C@H](N=C(O)[C@@H]1CCCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@@H]1CCCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,N=C(N)NCCC[C@H](N=C(O)[C@@H]1CCCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.744727494896694,,s_2c57b6511bfde5a2a89c4a65,test
catpreddb_km_km_f56969c215eb1d,catpred_iteration1_km,km,A0A2J7YGW5,A0A2J7YGW5,MNIFFLDILQSSKNNDITITRKFLEHNRCSLRTSRKWNAVNISSNPSREKIKSPTISEAINSSGVRIFIAPDHRSTGVLLSNFKLHSQTKIHMVVLDAHSDCQGSTELLTNYNVMLWITEKFPNIKKTIVGFRDTDRSSDNLSHAYSNIFPTSLVNTHGIENIASYILDTVNPSDKIWLSIDLDVLDPLLFTAVNTPISGGLLPREIFTLIQALEGKLAIAEIVEFTSATATRSEFLFMADLVSVLCEI,N=CN[C@@H](CCC(=O)O)C(=O)O,N=CN[C@@H](CCC(=O)O)C(=O)O,N=CN[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.146128035678238,,s_73a2402d1d8d3b90f3d04634,test
catpreddb_km_km_f5764caef95581,catpred_iteration1_km,km,Q6UC93,Q6UC93,MIKKTFASVLLGLSLMSVLNAKECVSPLTRSVKYHQQSAEIRALQLQSYKMAKMALDNNLKLVKDKKPAVILDLDETVLNTFDYAGYLVKNCIKYTPETWDKFEKEGSLTLIPGALDFLEYANSKGVKIFYISNRTQKNKAFTLKTLKSFKLPQVSEESVLLKEKGKPKAVRRELVAKDYAIILQVGDTLHDFDALFAKDAKNSQEQRAKVLQNAQKFGTEWIILPNSLYGTWEDEPIKAWQNKK,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-0.1366771398795441,,s_1cacdc3ca18c171917126cb4,test
catpreddb_km_km_f57d3b7a94043f,catpred_iteration1_km,km,Q9Y5Y6,Q9Y5Y6,MGSDRARKGGGGPKDFGAGLKYNSRHEKVNGLEEGVEFLPVNNVKKVEKHGPGRWVVLAAVLIGLLLVLLGIGFLVWHLQYRDVRVQKVFNGYMRITNENFVDAYENSNSTEFVSLASKVKDALKLLYSGVPFLGPYHKESAVTAFSEGSVIAYYWSEFSIPQHLVEEAERVMAEERVVMLPPRARSLKSFVVTSVVAFPTDSKTVQRTQDNSCSFGLHARGVELMRFTTPGFPDSPYPAHARCQWALRGDADSVLSLTFRSFDLASCDERGSDLVTVYNTLSPMEPHALVQLCGTYPPSYNLTFHSSQNVLLITLITNTERRHPGFEATFFQLPRMSSCGGRLRKAQGTFNSPYYPGHYPPNIDCTWNIEVPNNQHVKVRFKFFYLLEPGVPAGTCPKDYVEINGEKYCGERSQFVVTSNSNKITVRFHSDQSYTDTGFLAEYLSYDSSDPCPGQFTCRTGRCIRKELRCDGWADCTDHSDELNCSCDAGHQFTCKNKFCKPLFWVCDSVNDCGDNSDEQGCSCPAQTFRCSNGKCLSKSQQCNGKDDCGDGSDEASCPKVNVVTCTKHTYRCLNGLCLSKGNPECDGKEDCSDGSDEKDCDCGLRSFTRQARVVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPICLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12,Cc1cc(=O)oc2cc(N=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc3ccccc3)N=C(O)[C@H](C)N=C(O)CCC(=O)O)ccc12>>,public_strict_iteration1_fulltrue_msa,,-1.1555228242543183,,s_b263b22b3360761991316e48,test
catpreddb_km_km_f587e6e7838764,catpred_iteration1_km,km,P05708,P05708,MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.8451849162870504,,s_941b077a82856b376a21076e,test
catpreddb_km_km_f58ec9d7971662,catpred_iteration1_km,km,P18088,P18088,MASSTPSPATSSNAGADPNTTNLRPTTYDTWCGVAHGCTRKLGLKICGFLQRTNSLEEKSRLVSAFRERQASKNLLSCENSDPGARFRRTETDFSNLFAQDLLPAKNGEEQTVQFLLEVVDILLNYVRKTFDRSTKVLDFHHPHQLLEGMEGFNLELSDHPESLEQILVDCRDTLKYGVRTGHPRFFNQLSTGLDIIGLAGEWLTSTANTNMFTYEIAPVFVLMEQITLKKMREIIGWSNKDGDGIFSPGGAISNMYSIMAARYKYFPEVKTKGMAAVPKLVLFTSEHSHYSIKKAGAALGFGTDNVILIKCNERGKIIPADLEAKILDAKQKGFVPLYVNATAGTTVYGAFDPIQEIADICEKYNLWLHVDAAWGGGLLMSRKHRHKLSGIERANSVTWNPHKMMGVLLQCSAILVKEKGILQGCNQMCAGYLFQPDKQYDVSYDTGDKAIQCGRHVDIFKFWLMWKAKGTVGFENQINKCLELAEYLYAKIKNREEFEMVFNGEPEHTNVCFWYIPQSLRGVPDSPERREKLHRVAPKIKALMMESGTTMVGYQPQGDKANFFRMVISNPAATQSDIDFLIEEIERLGQDL,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O,NC(CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.4814860601221125,,s_0ddb4f44320bc86c9d5a4e29,test
catpreddb_km_km_f59dca8d1f757d,catpred_iteration1_km,km,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1,N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1,N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,0.041392685158225,,s_0c3e58e911f51068e88986ab,test
catpreddb_km_km_f5b466a0294a00,catpred_iteration1_km,km,P80545,P80545,QPANAKANIQQQLSELEKNSGGRLGVALIDTADNSQILYRGDERFPMCSTSKVMAVSALLKQSETDKNLLAKRMEIKQSDLVNYNPIAEKHLDTGMTLAEFSAATIQYSDNTAMNKILEHLGGPAKVTEFARTIGDKTFRLDRTEPTLNTAIPGDKRDTTSPQAMAISLQNLTLGKALAEPQRAQLVEWMKGNTTGGASIRAGLPTTWVVGDKTGSGDYGTTNDIAVIWPANHAPLVLVTYFTQPQQNAEARKDVLAAAAKIVTAGL,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,CC1(C)S[C@@H]2[C@H](N=C(O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.5086383061657274,,s_c336038d233655aec377f9fc,test
catpreddb_km_km_f5bf47491dbe7a,catpred_iteration1_km,km,P09367,P09367,MAAQESLHVKTPLRDSMALSKVAGTSVFLKMDSSQPSGSFKIRGIGHLCKMKAKQGCKHFVCSSVVQIWGSRMRGRSHSGDEQPHVRSQALLPDTPSPLTAGNAGMATAYAARRLGLPATIVVPSTTPALTIERLKNEGATVEVVGEMLDEAIQLAKALEKNNPGWVYISPFDDPLIWEGHTSLVKELKETLSAKPGAIVLSVGGGGLLCGVVQGLREVGWEDVPIIAMETFGAHSFHAAVKEGKLVTLPKITSVAKALGVNTVGAQTLKLFYEHPIFSEVISDQEAVTAIEKFVDDEKILVEPACGAALAAVYSGVVCRLQAEGRLQTPLASLVVIVCGGSNISLAQLQALKAQLGLNELLK,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O,CC(O)C(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,2.077668018732531,,s_992ea70b163f023a55cf755b,test
catpreddb_km_km_f5d6f23100ae3e,catpred_iteration1_km,km,Q8WTQ7,Q8WTQ7,MVDMGALDNLIANTAYLQARKPSDCDSKELQRRRRSLALPGLQGCAELRQKLSLNFHSLCEQQPIGRRLFRDFLATVPTFRKAATFLEDVQNWELAEEGPTKDSALQGLVATCASAPAPGNPQPFLSQAVATKCQAATTEEERVAAVTLAKAEAMAFLQEQPFKDFVTSAFYDKFLQWKLFEMQPVSDKYFTEFRVLGKGGFGEVCAVQVKNTGKMYACKKLDKKRLKKKGGEKMALLEKEILEKVSSPFIVSLAYAFESKTHLCLVMSLMNGGDLKFHIYNVGTRGLDMSRVIFYSAQIACGMLHLHELGIVYRDMKPENVLLDDLGNCRLSDLGLAVEMKGGKPITQRAGTNGYMAPEILMEKVSYSYPVDWFAMGCSIYEMVAGRTPFKDYKEKVSKEDLKQRTLQDEVKFQHDNFTEEAKDICRLFLAKKPEQRLGSREKSDDPRKHHFFKTINFPRLEAGLIEPPFVPDPSVVYAKDIAEIDDFSEVRGVEFDDKDKQFFKNFATGAVPIAWQEEIIETGLFEELNDPNRPTGCEEGNSSKSGVCLLL,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.6695862266508092,,s_7ff901d16fc230832114fead,test
catpreddb_km_km_f5e114fb3eae9b,catpred_iteration1_km,km,P29068,P29068,MRKKWLSLSLVLVLIVACVPALGFSQNIENPSIFDLGIKLYKIDGVSTKEQRSAIASTGAAIEEVGKDYVKVLATPSEAKQIKQKGFTATVDTSLTTQDFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKISDNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLVNNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYGYKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTLITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSRNKEAVLYVAEKADCPYSVIGKSCSTK,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCCN)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCCN)C(=O)O,C[C@H](N=C(O)OCc1ccccc1)C(O)=N[C@@H](C)C(O)=N[C@@H](CCCCN)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.1079053973095195,,s_2caefa44f3749bcdb7479c26,test
catpreddb_km_km_f6262da46d641a,catpred_iteration1_km,km,A0A0K2AZ61,A0A0K2AZ61,MAELFYDADADLSIIQGRKVAVIGYGSQGHAHALSLRDSGVDVRVGLHEGSKSKAKAEEQGLRVVSPSEAAAEADVIMILVPDPIQAQVYEEHIKDNLKDGDALFFGHGLNIRFGFIKPPAGVDVCMVAPKGPGHLVRRQYEEGRGVPCIAAVEQDASGNAFALALSYAKGIGGTRAGVIKTTFTEETETDLFGEQAVLCGGTAALVKAGFETLTEAGYQPEIAYFECLHELKLIVDLMYEGGLEKMRWSISETAEWGDYVTGPRIITDATKAEMKKVLAEIQDGTFAKNWMDEYHGGLKKYNEYKQQDSEHLLETTGKQLRKLMSWVDEEA,CCC(O)(C(C)=O)C(=O)O,CCC(O)(C(C)=O)C(=O)O,CCC(O)(C(C)=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8260748027008264,,s_7aed539f1fd0d29a964f808a,test
catpreddb_km_km_f6325cccea8267,catpred_iteration1_km,km,Q8TZY8,Q8TZY8,MKGEALKIIEEVLAQGRTAMVEYEAKQVLKAYGLPVPEEKLAKTLDEALKYAEEIGYPVAMKLMSPQILHKSDAKVVMLNIKSPEELKKKWEEIHENARKYRPDAEIFGVLIAPMLKPGREVIIGVTEDPQFGHAIMFGLGGIFVEILKDVTFRIIPITEKDARKMITEIKAYPILAGARGEEPADIEAIVDMLLKVSKLVDDLKDYIKEMDLNPVFVYRKGEGAVVVDARIILKG,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.214670164989233,,s_b80ba408bb95c31175d655a1,test
catpreddb_km_km_f647499b3f6f61,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1,CO/N=C(/C(O)=N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(=N)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-4.698970004336019,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_f649c2b5e7ca83,catpred_iteration1_km,km,Q0JB48,Q0JB48,VIEPTMEPVAVVAVPFPAQGHLNQLLHLSLQLASRGGVDVHYAAPAAHVRQARERVQGGDDAALRSVRFHDLGISTYASPPPDPAAASPFPSHLMPLWEAYTAGAPAPLAALLDKLSASYRRVVVVYDRINDFAAQEAARLRNGEAFVMYCLAVSMLARRIAPQEHQRILRENGLTNITVEDCATEEFVDYIRRTRATKEMSPPRGILTNTCRALEGEFIDVVAGNLAADGKKVFAVGPLNPLLHGNASKQGDQRQRHECLDWLDKQPPASVLYVSFGTTSSLRAEQIEELASALRGSNQRFIWVLRDADRGDIFAEDSGEIISRHAKLLREFTQHNEGSTGLVITGWAPQLEILAHDATAAFMSHCGWNSTMESLSHG,C/C(=C/CNc1nc[nH]c2ncnc1-2)CO,C/C(=C/CNc1nc[nH]c2ncnc1-2)CO,C/C(=C/CNc1nc[nH]c2ncnc1-2)CO>>,public_strict_iteration1_fulltrue_msa,,-0.707743928643524,,s_8025b4153355deb09393a7ba,test
catpreddb_km_km_f655d5f3f86447,catpred_iteration1_km,km,Q2VAZ3,Q2VAZ3,MASAGDVTRAALPRAQPRAEGPACVLGIGTAVPPAEFLQSEYPDFFFNITNCGEKEALKAKFKRICDKSGIRKRHMFLTEEVLKANPGICTYMEPSLNVRHDIVVVQVPKLAAEAAQKAIKEWGGRKSDITHIVFATTSGVNMPGADHALAKLLGLKPTVKRVMMYQTGCFGGASVLRVAKDLAENNKGARVLAVASEVTAVTYRAPSENHLDGLVGSALFGDGAGVYVVGSDPKPEVEKPLFEVHWAGETILPESDGAIDGHLTEAGLIFHLMKDVPGLISKNIEKFLNEARKPVGSPAWNEMFWAVHPGGPAILDQVEAKLKLTKDKMQGSRDILSEFGNMSSASVLFVLDQIRHRSVKMGASTLGEGSEFGFFIGFGPGLTLEVLVLRAAPNSA,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(O)=NCCC(O)=NCCSC(=O)/C=C/c1ccc(O)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.3187587626244128,,s_13d0398ece7b9ff66f8a266c,test
catpreddb_km_km_f667368590cae4,catpred_iteration1_km,km,O07529,O07529,MNMLVINGTPRKHGRTRIAASYIAALYHTDLIDLSEFVLPVFNGEAEQSELLKVQELKQRVTKADAIVLLSPEYHSGMSGALKNALDFLSSEQFKYKPVALLAVAGGGKGGINALNNMRTVMRGVYANVIPKQLVLDPVHIDVENATVAENIKESIKELVEELSMFAKAGNPGV,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-0.1870866433571444,,s_51b28bd3ae8d4e00b6efac4c,test
catpreddb_km_km_f675197210d52f,catpred_iteration1_km,km,Q9FMT1,Q9FMT1,MAAFLQTNISLNAIKIVPGKYSSLTDHQFRAPYRIRCAAASPGKKRYNIALLPGDGIGPEVISVAKNVLQKAGSLEGLEFDFKEMPVGGAALDLVGVPLPEETFTAAKLSDAILLGAIGGYKWDKNEKHLRPEMALFYLRRDLKVFANLRPATVLPQLVDASTLKKEVAEGVDMMIVRELTGGIYFGEPRGITINENGEEVGVSTEIYAAHEIDRIARVAFETARKRRGKLCSVDKANVLDASILWRKRVTALASEYPDVELSHMYVDNAAMQLIRDPKQFDTIVTNNIFGDILSDEASMITGSIGMLPSASLGESGPGLFEPIHGSAPDIAGQDKANPLATILSAAMLLKYGLGEEKAAKRIEDAVVDALNKGFRTGDIYSPGNKLVGCKEMGEEVLKSVESKVPATV,CSCCC(O)(CC(=O)O)C(=O)O,CSCCC(O)(CC(=O)O)C(=O)O,CSCCC(O)(CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2992962828549806,,s_432bb4b606ec423ec0d88ead,test
catpreddb_km_km_f6c87d8d9332c6,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CC(C)(C)OC(O)=NCC(=O)O,CC(C)(C)OC(O)=NCC(=O)O,CC(C)(C)OC(O)=NCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.568201724066995,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_f6d043c1ced5fe,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21,CO[C@@]1(N=C(O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(=N)O)CS[C@@H]21>>,public_strict_iteration1_fulltrue_msa,,-4.7447274948966935,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_f6dff8d170a059,catpred_iteration1_km,km,Q6FFQ0,Q6FFQ0,MSENNGKQFINGQRVAANAPTIESINATDYQPTGYLFSQATLDEVDQAAQAAYQAFLKYQHTTQQQRADFLDEIAIQIENLGSKLQEVAAQETGLPLVRLQGETGRVTGQLRLFAELLRRGDFYGARIDTALPERKPLPRVDLRQYKIGVGPVAVFGASNFPLAFSTAGGDTVAALAAGCSVVFKAHSGHMATAELVAQAIEKAILNSGIPSGTFNMIFGSRVGANLVEHPLIQAAGFTGSLEGGMALFNLAQNRPQPIPFFAEMSSVNPVIVMPEALNARGEKVAQDTVASFNMGCGQFCTKPGLIIGIKSPAFDQFVTALIDTTRTAVPQIMLNQGTLKSYQQGIDALLNEQGFKCIASGQAPELISQAQPHLFQADQSVLLSGNPKLQHEVFGPMSIVIAVDDEATLLNGLEKLAGQLTATIIADESDLPQAKELLNLLTRKAGRVLFNGFPTGVEVSDAMVHGGPFPATSDSRGTSVGTGAIERFLRPVCYQNTSQVLLPDVLKDGNPLHITRLVNGVLTQN,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.823908740944319,,s_4d647bbdd57b270a8485fab3,test
catpreddb_km_km_f6e6034754165c,catpred_iteration1_km,km,P80346,P80346,MLGKIALEEAFALPRFEEKTRWWASLFSVDPEIEHADKYGVGYQILSYTAPGVQDIWDPVEAQAGEVGVDRILSIDYPFETFEDAAVVLRRDVQTYGFIGALVNDTQRTGPMGNNQEEAYNINDYIAEQIRDKPDRFGAFTLSMHNPQEAGRDNAARLFERNPTGTIYEKLGAFRDYDAKVKAEITDINKLRIENASWDIFWQTDTEAQALAVEDADVWFDGAEFYDNAAMQYVIAYGAKQADIYGPINHWFEDRLLGLAETCKWLVGPDLSFAHGVSLHVLGMTVNGVFDR,O=C(O)c1cccc([O-])c1O,O=C(O)c1cccc([O-])c1O,O=C(O)c1cccc([O-])c1O>>,public_strict_iteration1_fulltrue_msa,,-0.4956999141190412,,s_4b367a4717818bb8d4d10539,test
catpreddb_km_km_f6f3fd4367cd31,catpred_iteration1_km,km,A9A1Y1,A9A1Y1,MTDSPILSPKSIAVIGASDKRGSVGATITSNIMNGFKGTVYPISPTRDTVFYKKAYKSVLDVPKSIDLAVIVIKNTLVTPVLEECGKKKIKGVIIITAGFKEVDEEGAKREQQVIDIAKKYNMQVVGPNCLGVMNLDSKTMMNSTFLKVTPKSGKIALVSQSGAICAALVEDASAQGIGFSAVVSLGNKAVMSEVDVLKILANHKQTEVIVMYLEDMGDGQEFLKVCKNITKKLKKPVLVLKSGRSPEGAKAAMSHTGALMGSDEIYDALLKQSGAIRVDTMEELFDYATAFSKQPLPSNGDLVIVSNAGGPAIISTDACSKAKIKMADITSIRKKIDEVIPPWGSSRNPVDIVGDADFNRFHNVLDRVLKHPKVGSVISMCTPSGTLNYDKLAEVIVEMSKKYKKTMLASLMGLDEGVTNREILADGNVPYYTYAEGAIRTLAAMIRFSDWVKSSPGKITKFKVNKAKAKKIFDQVKKEKRPNLLEEEGQEVLKAYGLPLPKSTLAKNEAEAVKAAKKIGYPVVMKIASPQIIHKSDAGGVKVNLTNDAEVKDAFKTIVKNAKKYNKKAEIKGVLIVEMVKGGKELIIGSKLEPGFGPVIMLGMGGIYVEVLKDVTFKLAPVTDKEADDMIASIKTQKLLQGVRGEKPSDIVKLSECIQRLSQLVSDFKEIKELDMNPVLVMEKGKGCRILDVRIGL,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCS>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_f1f5a52277c04678b561d2de,test
catpreddb_km_km_f6fca944e1290a,catpred_iteration1_km,km,Q9NWU1,Q9NWU1,MSNCLQNFLKITSTRLLCSRLCQQLRSKRKFFGTVPISRLHRRVVITGIGLVTPLGVGTHLVWDRLIGGESGIVSLVGEEYKSIPCSVAAYVPRGSDEGQFNEQNFVSKSDIKSMSSPTIMAIGAAELAMKDSGWHPQSEADQVATGVAIGMGMIPLEVVSETALNFQTKGYNKVSPFFVPKILVNMAAGQVSIRYKLKGPNHAVSTACTTGAHAVGDSFRFIAHGDADVMVAGGTDSCISPLSLAGFSRARALSTNSDPKLACRPFHPKRDGFVMGEGAAVLVLEEYEHAVQRRARIYAEVLGYGLSGDAGHITAPDPEGEGALRCMAAALKDAGVQPEEISYINAHATSTPLGDAAENKAIKHLFKDHAYALAVSSTKGATGHLLGAAGAVEAAFTTLACYYQKLPPTLNLDCSEPEFDLNYVPLKAQEWKTEKRFIGLTNSFGFGGTNATLCIAGL,CC(=O)S,CC(=O)S,CC(=O)S>>,public_strict_iteration1_fulltrue_msa,,-1.3010299956639813,,s_cb55de96b77b57b6c0b8a2cc,test
catpreddb_km_km_f6fd500f932e9c,catpred_iteration1_km,km,Q7XJJ7,Q7XJJ7,MGKYQVMKRASEVDLSTVKYKAETMKAPHLTGLSFKLFVNLLEAPLIGSLIVDYLKKDNGMTKIFRNTVIPEEPMFRPEFPSQEPEHDVVIVGEDESPIDRLETALKCLPQYDPSRSLHADPVSSFRYWKIRDYAYAYRSKLTTPLQVAKRIISIIEEFGYDKPPTPFLIRFDANEVIKQAEASTRRFEQGNPISVLDGIFVTIKDDIDCLPHPTNGGTTWLHEDRSVEKDSAVVSKLRSCGAILLGKANMHELGMGTTGNNSNYGTTRNPHDPKRYTGGSSSGSAAIVAAGLCSAALGTDGGGSVRIPSALCGITGLKTTYGRTDMTGSLCEGGTVEIIGPLASSLEDAFLVYAAILGSSSADRYNLKPSPPCFPKLLSHNGSNAIGSLRLGKYTKWFNDVSSSDISDKCEDILKLLSNNHGCKVVEIVVPELEEMRAAHVISIGSPTLSSLTPYCEAGKNSKLSYDTRTSFAIFRSFSASDYIAAQCLRRRLMEYHLNIFKDVDVIVTPTTGMTAPVIPPDALKNGETNIQVTTDLMRFVLAANLLGFPAISVPVGYDKEGLPIGLQIMGRPWAEATVLGLAAAVEELAPVTKKPAIFYDILNTN,CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO,CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO,CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO>>,public_strict_iteration1_fulltrue_msa,,-1.8664610916297824,,s_d02e45ef02098b997a7f78aa,test
catpreddb_km_km_f70e32b017f74c,catpred_iteration1_km,km,Q5TCS8,Q5TCS8,MTSQEKTEEYPFADIFDEDETERNFLLSKPVCFVVFGKPGVGKTTLARYITQAWKCIRVEALPILEEQIAAETESGVMLQSMLISGQSIPDELVIKLMLEKLNSPEVCHFGYIITEIPSLSQDAMTTLQQIELIKNLNLKPDVIINIKCPDYDLCQRISGQRQHNNTGYIYSRDQWDPEVIENHRKKKKEAQKDGKGEEEEEEEEQEEEEAFIAEMQMVAEILHHLVQRPEDYLENVENIVKLYKETILQTLEEVMAEHNPQYLIELNGNKPAEELFMIVMDRLKYLNLKRAAILTKLQGAEEEINDTMENDELFRTLASYKLIAPRYRWQRSKWGRTCPVNLKDGNIYSGLPDYSVSFLGKIYCLSSEEALKPFLLNPRPYLLPPMPGPPCKVFILGPQYSGKTTLCNMLAENYKGKVVDYAQLVQPRFDKARETLVENTIAEATAAAIKVVKEKLLRELQARKQAETALREFQRQYEKMEFGVFPMEATHSSIDEEGYIRIIIVGPPKSGKTTVAKKITSEYGLKHLSIGGALRYVLNNHPETELALMLNWHLHKGMTAPDELAIQALELSLMESVCNTAGVVIDGYPVTKHQMNLLEARSIIPMVIFELSVPSKEIFKRLLLEKENEQRLPYPLHNSAQIVAVNNVKYRKNIGEIRQYYQEQHQNWYVIDGFHSKWWVWNEVIKNVQMVNKYMQTYLERIKAGKAACIDKLCITPQELLSRLGEFEQFCPVSLAESQELFDCSATDSLEFAAEFRGHYYKMSSQEKLNKFLENPELYVPPLAPHPLPSADMIPKRLTLSELKSRFPKCAELQGYCPVTYKDGNQRYEALVPGSINYALEYHNRIYICENKEKLQKFLRSPLKYWEQKLPHKLPPLREPILLTSLPLPGYLEQGIATSLIKAMNAAGCLKPKFPFLSIRRSALLYIALHLKAFNPKGSEYTRKKYKKKMEQFMESCELITYLGAKMTRKYKEPQFRAIDFDHKLKTFLSLRNIDPING,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.9753909886649093,,s_5769cc0d347788c6f3637827,test
catpreddb_km_km_f727af37fc0343,catpred_iteration1_km,km,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,OCC(O)CO,OCC(O)CO,OCC(O)CO>>,public_strict_iteration1_fulltrue_msa,,0.9731278535996988,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_km_km_f742d4305653c2,catpred_iteration1_km,km,G2RB43,G2RB43,MRSSSRFLGALAAAASFVPSALAQNSVPVTFTDPSTGIVFNSWGLPNGSAETQGGYTFGVALPSNALTTDATEFIGYLQCASTDGKGWCGVSLGGPMTNSLLIAAWPYGDNIYTSFRYATGYAMPDVYTGNATLTQISSTINSTSFTLIFRCQNCLSWNQDGSSGGASTSSGALILGWCQAFPSPGNPTCPDQITIEQHDNGQGIWGAQLDSNAANPSYTAWAAKATKTVPAQCSGPTSTGVVGVPVPTGATYDYIVVGAGAGGIPIADKLSEAGKSVLLIEKGFASTGQNGGTLGPDWLAGTGLTRFDVPGLCNEIWVDSKGIACDDTDQMAGCVLGGGTAVNAGLWFHPYSLDFDYLFPTGWKSSDVQAAISRVFSRIPGTYTPSMDGKLYYQQGFDVISGGLSKGGWTQVVANSSPDSKNRTFSHSPFMFSGGERGGPLATYLQTAKKRSNFNLWLNTTVKRVVRDGGHITGVEVEAFRSGGYEGVVNVTNISGRVILSAGTFGTAKILLRSGIGPSDQLQVVQNSTIDGPTMINSTSWIPLPVGYNLDDHCNTDTVITHPNVVFYDFYAAWDNPIPSDEQSYLNSRSGILAQAAPNIGPMFWEEIKGADGIVRQLQWTARVEGSFDTPNGHAMTMSQYLGRGATSRGRMTITPSLTTVVSDVPYLKDPNDKEAVIQGIVNLQNALKNVANLTWTYPNSSISARDYVNSLSLSPSIRRSNHWVGTAKIGSDDGRTGGSAVVDLNARVYGTDNLFVVDASIFPGVPTTNPSAYIVTVSEHASEKILALAAPQPVPKWGQCGGRQWTGSFICAAGTKCTYQNDWYSQCL,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.086186147616284,,s_d45caf713d065ae4220c2800,test
catpreddb_km_km_f74344f08b931e,catpred_iteration1_km,km,P14091,P14091,MKTLLLLLLVLLELGEAQGSLHRVPLRRHPSLKKKLRARSQLSEFWKSHNLDMIQFTESCSMDQSAKEPLINYLDMEYFGTISIGSPPQNFTVIFDTGSSNLWVPSVYCTSPACKTHSRFQPSQSSTYSQPGQSFSIQYGTGSLSGIIGADQVSVEGLTVVGQQFGESVTEPGQTFVDAEFDGILGLGYPSLAVGGVTPVFDNMMAQNLVDLPMFSVYMSSNPEGGAGSELIFGGYDHSHFSGSLNWVPVTKQAYWQIALDNIQVGGTVMFCSEGCQAIVDTGTSLITGPSDKIKQLQNAIGAAPVDGEYAVECANLNVMPDVTFTINGVPYTLSPTAYTLLDFVDGMQFCSSGFQGLDIHPPAGPLWILGDVFIRQFYSVFDRGNNRVGLAPAVP,CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O,CC[C@H](C)[C@H](N=C(O)[C@@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)[C@@H](C)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.0566844346861213,,s_9c1c54ef2ef457891b120064,test
catpreddb_km_km_f761a2a75d66e5,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1nc(=O)c2[nH]c(=O)n([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2[nH]1,Nc1nc(=O)c2[nH]c(=O)n([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2[nH]1,Nc1nc(=O)c2[nH]c(=O)n([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,-3.5850266520291827,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_f761af1e9ec011,catpred_iteration1_km,km,P68693,P68693,MSRGALIVFEGLDKSGKTTQCMNIMESIPANTIKYLNFPQRSTVTGKMIDDYLTRKKTYNDHIVNLLFCANRWEFASFIQEQLEQGITLIVDRYAFSGVAYAAAKGASMTLSKSYESGLPKPDLVIFLESGSKEINRNVGEEIYEDVTFQQKVLQEYKKMIEEGDIHWQIISSEFEEDVKKELIKNIVIEAIHTVTGPVGQLWM,O=c1nc(O)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1,O=c1nc(O)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>,public_strict_iteration1_fulltrue_msa,,-0.721246399047171,,s_e155d0ed211b79f02d68353e,test
catpreddb_km_km_f76341456c6343,catpred_iteration1_km,km,D7BAR0,D7BAR0,MSSLTPELRQSILEHLGFLYGERAPAVLGRLEEICSGFPAQRREGGWSEKDALLITYGDQIHAEGEPPLQTLYDFLYERLRGVFSGVHLLPFYPSTSDDGFSVVDFQRVDPELGTWTDIRIIAQDFRLMADLVCNHVSASSPWFQGFLQDDPQYQGFFITVDPGTDLSTVFRPRALPLLTPFQTPSGEKLVWTTFSPDQTDLNYANPEVLLEVIEALLCYVRNGAGLIRLDAVGFIWKEIGTSCMHLEGAHRIVKLMRLVLDAVAPHVLLVSETNAPHRENISYFGNGHDEAQLVYQFPLPPLVMHTFRTGDASKLAGWAAGLTLPSERTTFFNFLASHDGIGVVPAGGILQPEEIAALVRQALEHGGRVNHKDTPDGPVPYELCLTLFDALSNPNSDEAEDLKIARFLAANVILLSLQGIPGVYIHSLFGSPSDHAGFEESGIPRRLNRHKFTKAELEERLADPASRAAKILAAYSHLLRVRSMHPAFHPNAPQRILPSTEVLRIVRGEGDQAVGCYINVTDRPQVVSRIGKNLITGQWFTGVLKPYQAAWIID,O=C(O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,O=C(O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.5440680443502757,,s_0058539aac40e33eed965c7c,test
catpreddb_km_km_f76599182029d6,catpred_iteration1_km,km,A0A229Y8S8,A0A229Y8S8,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.8248759908329184,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_f7665cdf93c7b2,catpred_iteration1_km,km,P08056,P08056,MKAVLALATLIGSTLASSCSSTALSCSNSANSDTCCSPEYGLVVLNMQWAPGYGPDNAFTLHGLWPDKCSGAYAPSGGCDSNRASSSIASVIKSKDSSLYNSMLTYWPSNQGNNNVFWSHEWSKHGTCVSTYDPDCYDNYEEGEDIVDYFQKAMDLRSQYNVYKAFSSNGITPGGTYTATEMQSAIESYFGAKAKIDCSSGTLSDVALYFYVRGRDTYVITDALSTGSCSGDVEYPTK,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1,N=c1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(N)ncnc54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.9034377008227692,,s_95925666c10470887ae4d3eb,test
catpreddb_km_km_f793d2605f7b3a,catpred_iteration1_km,km,Q84G06,Q84G06,MTKNQALRAALDSGRLFTAMAAHNPLVAKLAEQAGFGGIWGSGFELSASYAVPDANILSMSTHLEMMRAIASTVSIPLIADIDTGFGNAVNVHYVVPQYEAAGASAIVMEDKTFPKDTSLRTDGRQELVRIEEFQGKIAAATAARADRDFVVIARVEALIAGLGQQEAVRRGQAYEEAGADAILIHSRQKTPDEILAFVKSWPGKVPLVLVPTAYPQLTEADIAALSKVGIVIYGNHAIRAAVGAVREVFARIRRDGGIREVDAALPSVKEIIELQGDERMRAVEARYLK,O=C(O)C(=O)CP(=O)(O)O,O=C(O)C(=O)CP(=O)(O)O,O=C(O)C(=O)CP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.288377063031596,,s_ab0d84db60ceb3c15f046f24,test
catpreddb_km_km_f7ab883be6fe4c,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(=O)O,CC(C)C[C@H](N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCNC(=N)N)C(O)=N[C@@H](CO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_f7da85ebcc2d03,catpred_iteration1_km,km,O69056,O69056,MTDVTGAPADVLHTLFHSDQGGHEQVVLCQDRASGLKAVIALHSTALGPALGGTRFYPYANEAEAVADALNLARGMSYKNAMAGLEHGGGKAVIIGDPEQIKSEELLLAYGRFVASLGGRYVTACDVGTYVADMDVVARECRWTTGRSPENGGAGDSSVLTSFGVYQGMRAAAQHLWGDPTLRDRTVGIAGVGKVGHHLVEHLLAEGAHVVVTDVRKDVVRSLTERHPSVVAVADTDALIRVENLDIYAPCALGGALNDETVPVLTAKVVCGAANNQLAHPGVEKDLADRGILYAPDYVVNAGGVIQVADELHGFDFDRCKAKAAKIYDTTLAIFARAKEDGIPPAAAADRIAEQRMAEARARR,CC(C)C(N)C(=O)O,CC(C)C(N)C(=O)O,CC(C)C(N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2268575702887234,,s_020f56f03d53c9ffe98e89f2,test
catpreddb_km_km_f7deabc56ccb45,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,C[C@]12CCC3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)C1CCC2=O,C[C@]12CCC3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)C1CCC2=O,C[C@]12CCC3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)C1CCC2=O>>,public_strict_iteration1_fulltrue_msa,,-2.638272163982407,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_f8415d67042465,catpred_iteration1_km,km,P00366,P00366,MYRYLGEALLLSRAGPAALGSASADSAALLGWARGQPAAAPQPGLVPPARRHYSEAAADREDDPNFFKMVEGFFDRGASIVEDKLVEDLKTRETEEQKRNRVRSILRIIKPCNHVLSLSFPIRRDDGSWEVIEGYRAQHSQHRTPCKGGIRYSTDVSVDEVKALASLMTYKCAVVDVPFGGAKAGVKINPKNYTDNELEKITRRFTMELAKKGFIGPGVDVPAPDMSTGEREMSWIADTYASTIGHYDINAHACVTGKPISQGGIHGRISATGRGVFHGIENFINEASYMSILGMTPGFGDKTFVVQGFGNVGLHSMRYLHRFGAKCITVGESDGSIWNPDGIDPKELEDFKLQHGTILGFPKAKIYEGSILEVDCDILIPAASEKQLTKSNAPRVKAKIIAEGANGPTTPEADKIFLERNIMVIPDLYLNAGGVTVSYFEWLNNLNHVSYGRLTFKYERDSNYHLLMSVQESLERKFGKHGGTIPIVPTAEFQDRISGASEKDIVHSGLAYTMERSARQIMRTAMKYNLGLDLRTAAYVNAIEKVFRVYNEAGVTFT,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.0460636552506934,,s_863067971e96600ee73ae55f,test
catpreddb_km_km_f845c995d66005,catpred_iteration1_km,km,A2DJ40,A2DJ40,MTFELPKTMKAFAMRKIGEVGWIEKPVPECGPNDAICRPLALAPCTSDIHTVWAGAIGERHDMILGHEAVGQVVKIGSEVKNLKVGDKVLVPAVTPDWGSEAAQEGFPAHSGGMLGGWKFSNFKDGVFAEYFHVNEADANLAKLPEGLTPRDVIMCSDMMTTGFHGAELAEVKLGDIVVVIGIGPVGLMSVRGAALMGASRIFAVGSRPHCCDTAVQYGATDIINYKNGDIVEQILKATGGKGVDRVIIAGGDVHTFAQAIKMIRAGGVIGNVNYLGEGEMIDVPRVEWGVGMGHKFIHGGLTPGGALRMEKMANLIKYKKVDPTKLITHEFKGLEKVEDALMLMKDKPVDLIKPVVLIEYNDKL,CCC(C)=O,CCC(C)=O,CCC(C)=O>>,public_strict_iteration1_fulltrue_msa,,-4.214670164989233,,s_c07969c3db687a63c8e8d8b6,test
catpreddb_km_km_f845cbef3f9be4,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,CC(O)=N[C@@H](CS)C(=O)O,CC(O)=N[C@@H](CS)C(=O)O,CC(O)=N[C@@H](CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3979400086720376,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_f84ba4685cead1,catpred_iteration1_km,km,O63067,O63067,MASFSAAVAQFSRVSPSHTSLHSHSHGTLFQSQCRPFFLSRTSHSLRKGLTLPRGREAPSTSVRASFTDVSPNVSLEEKQLPKGETWSVHKFGGTCVGTSQRIKNVADIILKDDSERKLVVVSAMSKVTDMMYDLIHKAQSRDESYTAALNAVLEKHSATAHDILDGDNLATFLSKLHHDISNLKAMLRAIYIAGHATESFTDFVVGHGELWSAQMLSLVIRKNGTDCKWMDTRDVLIVNPTGSNQVDPDYLESEQRLEKWYSLNPCKVIIATGFIASTPQNIPTTLKRDGSDFSAAIMGALFKARQVTIWTDVDGVYSADPRKVSEAVILKTLSYQEAWEMSYFGANVLHPRTIIPVMRYGIPIMIRNIFNLSAPGTKICHPSVNDHEDSQNLQNFVKGFATIDNLALVNVEGTGMAGVPGTASAIFGAVKDVGANVIMISQASSEHSVCFAVPEKEVKAVAEALQSRFRQALDNGRLSQVAVIPNCSILAAVGQKMASTPGVSASLFNALAKANINVRAIAQGCSEYNITVVVKREDCIKALRAVHSRFYLSRTTIAMGIIGPGLIGSTLLEQLRDQASTLKEEFNIDLRVMGILGSKSMLLSDVGIDLARWRELREERGEVANMEKFVQHVHGNHFIPNTALVDCTADSVIAGYYYDWLRKGIHVVTPNKKANSGPLDQYLKLRALQRQSYTHYFYEATVGAGLPIVSTLRGLLETGDKILQIEGIFSGTLSYIFNNFKDGRAFSEVVSEAKEAGYTEPDPRDDLSGTDVARKVIILARESGLKLELSNIPVESPVPEPLRACASAQEFMQELPKFDQEFTKKQEDAENAGEVLRYVGVVDVTNKKGVVELRRYKKDHPFAQLSGSDNIIAFTTRRYKDQPLIVRGPGAGAQVTAGGIFSDILRLASYLGAPS,N[C@@H](CCO)C(=O)O,N[C@@H](CCO)C(=O)O,N[C@@H](CCO)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.4829769445510314,,s_d215edcf3d0b04ec0a52bce0,test
catpreddb_km_km_f86390fc309500,catpred_iteration1_km,km,P0A862,P0A862,MSQTVHFQGNPVTVANSIPQAGSKAQTFTLVAKDLSDVTLGQFAGKRKVLNIFPSIDTGVCAASVRKFNQLATEIDNTVVLCISADLPFAQSRFCGAEGLNNVITLSTFRNAEFLQAYGVAIADGPLKGLAARAVVVIDENDNVIFSQLVDEITTEPDYEAALAVLKA,CC(C)(OO)c1ccccc1,CC(C)(OO)c1ccccc1,CC(C)(OO)c1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_d2d36757009aee3099233bfa,test
catpreddb_km_km_f864c95bb1f34c,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,O[C@@H]1C=CC=C[C@@H]1O,O[C@@H]1C=CC=C[C@@H]1O,O[C@@H]1C=CC=C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-2.0132282657337552,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_f86fdffd0a65fd,catpred_iteration1_km,km,Q9VSL2,Q9VSL2,MSSGKHLAKGSPKPVLPDDGVLRLYSMRFCPYAQRAHLVLNAKNVPYHSVYINLTEKPEWLVEVSPLLKVPALQLVAEKGEPSLIESLIIAEYLDDKYPENPLLPKDPLKRAQDKILLERFSSITSAFINILVQGTGLEDYWTALDIFEEELTKRGTPYFGGNKPGFVDYMIWPWFERLSVIELKLQKEYNFNESRFPKITKWIALLKADSVVQSFYATPEQHNEFWRTRKAGNANYDLLA,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1>>,public_strict_iteration1_fulltrue_msa,,-0.0809219076239261,,s_016d785c1269382bd95d5143,test
catpreddb_km_km_f87c188507d4e8,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(O)(CC(=O)O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,0.4623979978989561,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_f880538b910076,catpred_iteration1_km,km,P9WLH5,P9WLH5,MKVVIEADGGSRGNPGPAGYGAVVWTADHSTVLAESKQAIGRATNNVAEYRGLIAGLDDAVKLGATEAAVLMDSKLVVEQMSGRWKVKHPDLLKLYVQAQALASQFRRINYEWVPRARNTYADRLANDAMDAAAQSAAADADPAKIVATESPTSPGWTGARGTPTRLLLLRHGQTELSEQRRYSGRGNPGLNEVGWRQVGAAAGYLARRGGIAAVVSSPLQRAYDTAVTAARALALDVVVDDDLVETDFGAWEGLTFAEAAERDPELHRRWLQDTSITPPGGESFDDVLRRVRRGRDRIIVGYEGATVLVVSHVTPIKMLLRLALDAGSGVLYRLHLDLASLSIAEFYADGASSVRLVNQTGYL,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.9369507989322308,,s_791dbfefef7d028e09c49213,test
catpreddb_km_km_f882f1f7aaf374,catpred_iteration1_km,km,Q70SY0,Q70SY0,MMRPVSLLSAVVLLLTGIDATSIGLHGGRPRDIILDDAKGPLQNIVTWDEHSLFVHGERVVIFSGEVHPFRLPVPSLYLDVFHKIKALGFNTVSFYVDWALLEGKPGRFRADGIFSLEPFFEAATKAGIYLLARPGPYINAEVSGGGFPGWLQRVKGKLRTDAPDYLHATDNYVAHIASIIAKAQITNGGPVILYQPENEYSGAAEGVLFPNKPYMQYVIDQARNAGIIVPLINNDAFPGGTGAPGTGLGSVDIYGHDGYPLGFDCAHPSAWPDNGLPTTWRQDHLNISPSTPFSLVEFQGGAFDPFGGWGFEQCSALVNHEFERVFYKNNMAAGVTIFNIYMTFGGTNWGNLGHPGGYTSYDYGASIREDRRIDREKYSELKLQGQFLKVSPGYITATPENATQGVYSDSQNIVITPLLAKESGDFFVVRHANYSSTDTASYTVKLPTSAGDLTIPQLGGSLTLTGRDSKIHVTDYPVGKFTLLYSTAEIFTWNEFAEKSKTAKAKKIEGSNVTIHTTSNLTVVLQWTASSARQVVQLGSLVIYMVDRNSAYNYWVPTLPGSGKQSAYGSSLMNPDSVIINGGYLIRSVAIKGNALSVQADFNVTTPLEIIGIPKGISKLAVNGKELGYSVSELGDWIAHPAIEIPHVQVPELTKLKWYKVDSLPEIRSNYDDSRWPLANLRTSNNTYAPLKTPVSLYGSDYGFHAGTLLFRGRFTARTARQQLFLSTQGGSAFASSVWLNDRFIGSFTGFDAASAANSSYTLDRLVRGRRYILTVVVDSTGLDENWTTGDDSMKAPRGILDYALTSSSGANVSISWKLTGNLGGEDYRDVFRGPLNEGGLFFERQGFHLPSPPLSDFTHGPSSSSSSSSPLDGIAHAGIAFYAAKLPLHLPAQEYDIPLSFVFDNATAAAPYRALLYVNGFQYGKYVSNIGPQTEFPVPEGILDYNGDNWIGVALWALESRGAKVPGLALKSKSPILTGRERVEVVKGPHFKKRHGAY,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.8826175428567606,,s_05faba509306d0ae6d9f3eea,test
catpreddb_km_km_f89acd793295f9,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,OC1C=CCCC1,OC1C=CCCC1,OC1C=CCCC1>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_f8a42618b924c3,catpred_iteration1_km,km,Q59632,Q59632,MTSQTPTRKPRARDLGLPFTGVTGPYNAITDVDGVGVGFQTIIENEPRPGRKRPARSGVTAILPHMQSETPVPVYAGVHRFNGNGEMTGTHWIEDGGYFLGPVVITNTHGIGMAHHATVRWMVDRYASTYQTDDFLWIMPVVAETYDGALNDINGFPVTEADVRKALDNVASGPVQEGNCGGGTGMITYGFKGGTGTASRVVEFGGRSFTIGALVQANHGQRDWLTIAGVPVGQHMRDGTPQSQLQERGSIIVVLATDLPLMPHQLKRLARRASIGIGRNGTPGGNNSGDIFIAFSTANQRPMQHRSAPFLDVEMVNDEPLDTVYLAAVDSVEEAVVNAMIAAEDMGGTPFDRLLVQAIDHERLRAVLRQYGRLA,NCC(=O)Nc1ccc([N+](=O)[O-])cc1,NCC(=O)Nc1ccc([N+](=O)[O-])cc1,NCC(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.4771212547196624,,s_0c3e58e911f51068e88986ab,test
catpreddb_km_km_f8c0021ebcdc4f,catpred_iteration1_km,km,P05342,P05342,MASVIIDDTTLRDGEQSAGVAFNADEKIAIARALAELGVPELEIGIPSMGEEEREVMHAIAGLGLSSRLLAWCRLCDVDLAAARSTGVTMVDLSLPVSDLMLHHKLNRDRDWALREVARLVGEARMAGLEVCLGCEDASRADLEFVVQVGEVAQAAGARRLRFADTVGVMEPFGMLDRFRFLSRRLDMELEVHAHDDFGLATANTLAAVMGGATHINTTVNGLGERAGNAALEECVLALKNLHGIDTGIDTRGIPAISALVERASGRQVAWQKSVVGAGVFTHEAGIHVDGLLKHRRNYEGLNPDELGRSHSLVLGKHSGAHMVRNTYRDLGIELADWQSQALLGRIRAFSTRTKRRSPQPAELQDFYRQLCEQGNPELAAGGMA,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_6e4b7284fdb6b6c84f56dd03,test
catpreddb_km_km_f8c048962cd664,catpred_iteration1_km,km,A3D2G6,A3D2G6,MKLKSIAAAVGLCLASLSVAHASDKTIYLTFDDGPIDATLGLLDALKDANIKATFFINAFHMYGEGDENEALAAVALQRLLDDGHILANHSYDHMLHNCTDGVQSGAVYCNQVGLWPVKSYQDAATDFTYFVTNTAKVVEIIPNAASYPNNKMTKLARLPYTNGWRVSSKLKGDGLCATSDTVPPWDPAFACTAETSTNSSQVAVQIQNMLAESDYKIFGWDFDWGPEDWGVAFPAESMADGVELVDKINQVINTCAGTTMNPLNSRTQNLDCSDGLHDGKVVILTHDFLFENAHRGQGATINLPKIKRFVEEAQRQGYRFDTLDNYAPAWQDQHDYQQPDFVSYQDKIYSLVQAHFSQSNWQPNQTPALWKNEK,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.0809219076239261,,s_bbb284dfef6d653ce2225599,test
catpreddb_km_km_f8c5b3c7de90a6,catpred_iteration1_km,km,Q5JIE9,Q5JIE9,MEIYKAKFGNPERGWVVLVHGLGEHSGRYGKLISMLNEAGFAVYTFDWPGHGKSPGKRGHTSVEEAMEIIDSIIKELGEKPFLFGHSLGGLTVIRYAETRPDKIRGVVASSPALAKSPKTPGFMVALAKVLGRIAPGLTLSNGIDPNLLSRNPDAVKRYIEDPLVHDRISTKLGMSIFKNMELAHREADRIEVPILLLVGTGDVITPPEGSRKLFEELKVKDKEIREFEGAYHEIFEDPEWGEEFHKTIVEWLIKHSEKA,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1,CCCC(=O)Oc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.2167397671270511,,s_6da00294012b2a8424a06c06,test
catpreddb_km_km_f8c7b9b990098a,catpred_iteration1_km,km,F1CMY8,F1CMY8,MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAPIDNPLLSEEDGPVYQLRRWYQQFYVDVEDITEDMTKRFEFEIDTTRAVASWQKEVAENLAKQAEGSTATP,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C,C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-3.3010299956639813,,s_d7f6dc9c51d22080a93e38e4,test
catpreddb_km_km_f8f4bbcab36046,catpred_iteration1_km,km,P51570,P51570,MAALRQPQVAELLAEARRAFREEFGAEPELAVSAPGRVNLIGEHTDYNQGLVLPMALELMTVLVGSPRKDGLVSLLTTSEGADEPQRLQFPLPTAQRSLEPGTPRWANYVKGVIQYYPAAPLPGFSAVVVSSVPLGGGLSSSASLEVATYTFLQQLCPDSGTIAARAQVCQQAEHSFAGMPCGIMDQFISLMGQKGHALLIDCRSLETSLVPLSDPKLAVLITNSNVRHSLASSEYPVRRRQCEEVARALGKESLREVQLEELEAARDLVSKEGFRRARHVVGEIRRTAQAAAALRRGDYRAFGRLMVESHRSLRDDYEVSCPELDQLVEAALAVPGVYGSRMTGGGFGGCTVTLLEASAAPHAMRHIQEHYGGTATFYLSQAADGAKVLCL,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.6255185693719193,,s_feb69b7c7de35df748b92a04,test
catpreddb_km_km_f906efbb881a88,catpred_iteration1_km,km,Q86D27,Q86D27,MSQLKDLQTRVLHTPSKWGEPLHAHTFPIFQTSTYLFDDTQMGADLFGGKREGHMYSRMGNPTVEYFEELVNSLEGGVGTAAFGSGMGAIHSATMGLLKAGDHLISGDTLYGCTVELFGNRFKDMGVDVSFVNTASDEAVVKAWKPNTKMVYLESPANPTCKVSDIKGIAKICHEKGAILVVDCTFTTPVFLPALELGADVVLHSITKYINGHGDVVGGVVTTKNPELLQKIKAFRKDTGSLMAPMDAFLCIRGVKTLPMRMKVHMENGLKVAKFLEQHPKIKQVNHPGLESFPGHKIAMEQMKGFGSTFSFEMKSFEAAKKLMEHVKLCGLAVSLGTLDTLIEHPASMTHAAVPEHLLKQQGLTRELVRISVGLENPDDIIADLKQALEQC,N[C@@H](CS)C(=O)O,N[C@@H](CS)C(=O)O,N[C@@H](CS)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.2304489213782738,,s_482422f32efc21500360d70c,test
catpreddb_km_km_f911e682f4ded9,catpred_iteration1_km,km,P77788,P77788,MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.2588484011482149,,s_205b4fb49279b335382e3627,test
catpreddb_km_km_f91262585901f7,catpred_iteration1_km,km,Q81VW8,Q81VW8,MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1>>,public_strict_iteration1_fulltrue_msa,,-3.154901959985743,,s_2b65e0d0a224db14e0ad036f,test
catpreddb_km_km_f9262110c1d4b0,catpred_iteration1_km,km,B0ZB56,B0ZB56,MELARNDQTEAALRGEANVWKSINGIADFMVMKCALELRIPDIVHSHSAPITLAQIASSVPDSPSLNLSYLSRIMRLLVRRKIFSQHKSLDGEEVLYGPTHSSRLLLSKTTLPDQVTLAPFVAFMTHPYLSAPWSCLARCVKEGGNGFEMVHGGRQLWDLSPGNPEFNKVFNDGMASTARITTMAILSEYRDVFCGICSLVDVGGEFGGSISAIVKSHPHIKGINYDLPHVVATAPTYTGLVSHVGGNMFEWIPTAVAVFMKWILHDWADEDCVKILKNCRRAMPEKGGKIIIVDIVLEPEGNGLFDDAAVMLDIALMALTRGKERTEKEWKRVLEEGGFPRYQILKIPALTSVIEAYPQ,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.4685210829577449,,s_326aeb57bc380be7a0794e2a,test
catpreddb_km_km_f9656b5d8bbfeb,catpred_iteration1_km,km,Q6ZHS4,Q6ZHS4,MGSLAAEKTVTGWAARDASGHLTPYNYTLRKTGPEDVVVKVLYCGICHTDIHQAKNHLGASKYPMVPGHEVVGEVVEVGPEVTKYSAGDVVGVGVIVGCCRECHPCKANVEQYCNKRIWSYNDVYTDGRPTQGGFASAMVVDQKFVVKIPAGLAPEQAAPLLCAGLTVYSPLKHFGLMSPGLRGGVLGLGGVGHMGVKVAKSMGHHVTVISSSARKRGEAMDDLGADAYLVSSDAAAMAAAGDSLDYIIDTVPVHHPLEPYLALLKLDGKLILMGVINQPLSFISPMVMLGRKAITGSFIGSMAETEEVLNFCVDKGLTSQIEVVKMDYVNQALERLERNDVRYRFVVDVAGSNIDDADAPPA,COc1cc(C=CC=O)ccc1O,COc1cc(C=CC=O)ccc1O,COc1cc(C=CC=O)ccc1O>>,public_strict_iteration1_fulltrue_msa,,-2.356547323513813,,s_b2aaac071bff2da5ccaefa34,test
catpreddb_km_km_f970dadb2ecbd8,catpred_iteration1_km,km,P07902,P07902,MSRSGTDPQQRQQASEADAAAATFRANDHQHIRYNPLQDEWVLVSAHRMKRPWQGQVEPQLLKTVPRHDPLNPLCPGAIRANGEVNPQYDSTFLFDNDFPALQPDAPSPGPSDHPLFQAKSARGVCKVMCFHPWSDVTLPLMSVPEIRAVVDAWASVTEELGAQYPWVQIFENKGAMMGCSNPHPHCQVWASSFLPDIAQREERSQQAYKSQHGEPLLMEYSRQELLRKERLVLTSEHWLVLVPFWATWPYQTLLLPRRHVRRLPELTPAERDDLASIMKKLLTKYDNLFETSFPYSMGWHGAPTGSEAGANWNHWQLHAHYYPPLLRSATVRKFMVGYEMLAQAQRDLTPEQAAERLRALPEVHYHLGQKDRETATIA,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,O=c1nc(O)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.0883098412461387,,s_10643db1da4d21bc18567292,test
catpreddb_km_km_f9969bf632f0d9,catpred_iteration1_km,km,P08077,P08077,MSSSDHIHVPDGLAESYSRSGGEEGRAWIAGLPALVARCVDRWELKRDGGVRSGEASLVVPVLRADGTRAALKLQMPREETTAALIGLRAWGGDGMVRLLDHDEESSTMLLERLDGSRTLASVEDDDEAMGVLAGLLNRLHSVPAPPGLRGLGEIAGAMVEEVPSAVDSLADPEDRSRLRGWASAVAELVGEPGDRVLHWDLHYENVLAAEREPWLAIDPEPLVGDPGFDLWPALDTGWERIEATGDARRVVRRRFDLLTESLELDRGRAAGWTLARLLQNTLWDIEDGLTAIAPSQIAVAEALAKP,CN[C@@H]1[C@H](OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O,CN[C@@H]1[C@H](OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O,CN[C@@H]1[C@H](OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.0413926851582251,,s_22acfffc40458a5bd935a5a3,test
catpreddb_km_km_f9a6c116dc044b,catpred_iteration1_km,km,O95363,O95363,MVGSALRRGAHAYVYLVSKASHISRGHQHQAWGSRPPAAECATQRAPGSVVELLGKSYPQDDHSNLTRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFHGEWLEVLGCGVMEQQLVNSAGAQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_20763196f05a193ee16b396c,test
catpreddb_km_km_f9aee00b6519ae,catpred_iteration1_km,km,Q6P4F1,Q6P4F1,MVRIQRRKLLASCLCVTATVFLLVTLQVMVELGKFERKEFKSSSLQDGHTKMEEAPTHLNSFLKKEGLTFNRKRKWELDSYPIMLWWSPLTGETGRLGQCGADACFFTINRTYLHHHMTKAFLFYGTDFNIDSLPLPRKAHHDWAVFHEESPKNNYKLFHKPVITLFNYTATFSRHSHLPLTTQYLESIEVLKSLRYLVPLQSKNKLRKRLAPLVYVQSDCDPPSDRDSYVRELMTYIEVDSYGECLRNKDLPQQLKNPASMDADGFYRIIAQYKFILAFENAVCDDYITEKFWRPLKLGVVPVYYGSPSITDWLPSNKSAILVSEFSHPRELASYIRRLDSDDRLYEAYVEWKLKGEISNQRLLTALRERKWGVQDVNQDNYIDAFECMVCTKVWANIRLQEKGLPPKRWEAEDTHLSCPEPTVFAFSPLRTPPLSSLREMWISSFEQSKKEAQALRWLVDRNQNFSSQEFWGLVFKD,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(=N)[nH]c43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.854982694318741,,s_9dcca052a2538e1c4d6e1e98,test
catpreddb_km_km_f9cc400e6b992b,catpred_iteration1_km,km,P55772,P55772,MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-1.0362121726544449,,s_1d6314abafdcf5412b30cbfd,test
catpreddb_km_km_f9de27ed719325,catpred_iteration1_km,km,Q58991,Q58991,MMKVCVIEGDGIGKEVIPEAIKILNELGEFEIIKGEAGLECLKKYGNALPEDTIEKAKEADIILFGAITSPKPGEVKNYKSPIITLRKMFHLYANVRPINNFGIGQLIGKIADYEFLNAKNIDIVIIRENTEDLYVGRERLENDTAIAERVITRKGSERIIRFAFEYAIKNNRKKVSCIHKANVLRITDGLFLEVFNEIKKHYNIEADDYLVDSTAMNLIKHPEKFDVIVTTNMFGDILSDEASALIGGLGLAPSANIGDDKALFEPVHGSAPDIAGKGIANPMASILSIAMLFDYIGEKEKGDLIREAVKYCLINKKVTPDLGGDLKTKDVGDEILNYIRKKLKGY,O=C(O)/C=C(/CCCCCC(=O)O)C(=O)O,O=C(O)/C=C(/CCCCCC(=O)O)C(=O)O,O=C(O)/C=C(/CCCCCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7569619513137056,,s_d45e89fa98a913150cf54b5f,test
catpreddb_km_km_f9f3256aab15ca,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CN=C(O)c1ccccc1O,O=C(O)CN=C(O)c1ccccc1O,O=C(O)CN=C(O)c1ccccc1O>>,public_strict_iteration1_fulltrue_msa,,-0.0655015487564322,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_fa14977d391566,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,C[C@@H](N=C(O)OCc1ccccc1)C(=O)O,C[C@@H](N=C(O)OCc1ccccc1)C(=O)O,C[C@@H](N=C(O)OCc1ccccc1)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,1.5440680443502757,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_fa17c450f59a9f,catpred_iteration1_km,km,G5EBD7,G5EBD7,MRIGIIGLGRMGGNIAVRLTRHGHDVVVHDRTSEVTTSVVGRCEAGRATPADTLADMAKLLEGDEHRVVWVMLPAGAITEDCVQQLGGLLGRGDIIIDGGNTYYKDDVRRSAELAEKGISYVDVGTSGGVWGLERGYCMMFGGTKETAEYIDPILSALAPGIGDVPRTPGRDEAGHDPRAEQGYLHCGPAGSGHFVKMVHNGIEYGMMQAFAEGFDIMKSKNSPILAEKDRFELNMGDIAEVWRRGSVVSSWLLDLTAEALTRSETLNEFSGEVADSGEGRWTIEAAIEEDVPAPVMTAALFTRFRSRSGNNFAEKILSAQRFGFGGHVEKK,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.3565473235138126,,s_b085025cb90a58e245a85d0b,test
catpreddb_km_km_fa1d55c5ba7163,catpred_iteration1_km,km,A0A060SYB0,A0A060SYB0,MFQTTLHLLFVLVVTGRGLAAPSTPTGWQFNLKAERSGIVALESIVVSPTLVVFFDRATNDPLQINNHSAWGALWNLETSTVRALDVLTNSFCASGALLSNGTMASIGGDPNGFPGNPAIHPGTQAIRLFEPCDSPTGEGCTLFEDPVTLHLLEKRWYPSSVRIFDGSLLIVGGMHEETPFYNTDPALSFEFFPPKESTPRPSEFLNRSLPANLFPRVFALPDGKVFMVANNQSIIYDIEANTERILPDIPNNVRVTNPIDGSAILLPLSPPDFVPEVLVCGGTQTDTIDPSLLTSQTPASSQCSRIRLDEEGIARGWEVEHMLEGRMMPELVHLPNGQVLIANGARTGFAAIASVSDPVGGSNADHAVLVPSLYTPDAPLGTRISNVGLPSSGIARVYHSSITLTPQGNFLIAGSNPNNNSSVTAGVKFPSEFRVQTLDPPFMFVERPKILSMPKKLAFGKSFTVPIAVPSTLAHPGAKVQVSLMDLGFSSHAFHSSARLVFMNAKISQDGKSLTFTTPPNGRVYPPGPATIFLTIDDVTSEGAWVMMGSGNPPPTLE,O=Cc1ccc(CO)o1,O=Cc1ccc(CO)o1,O=Cc1ccc(CO)o1>>,public_strict_iteration1_fulltrue_msa,,0.7686381012476144,,s_5ca56b30f61d0faa4cccbcda,test
catpreddb_km_km_fa2765d5197d5b,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,O=C(O)CNC(=O)c1cccs1,O=C(O)CNC(=O)c1cccs1,O=C(O)CNC(=O)c1cccs1>>,public_strict_iteration1_fulltrue_msa,,0.2041199826559248,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_fa2977660734e2,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,O=c1ccn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-0.2111248842245832,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_fa5ff8118e974d,catpred_iteration1_km,km,Q704Z0,Q704Z0,MKKSLSATLISALLAFSAPGFSAADNVAAVVDSTIKPLMAQQDIPGMAVAVSVKGKPYYFNYGFADVQAKQPVTENTLFELGSVSKTFTGVLGAVSVAKKEMTLNDPAEKYQPELALPQWKGITLLDLATYTAGGLPLQVPDAVKSRADLLHFYQQWQPSRKPGDMRLYANSSIGLFGALTANAAGMPYDQLLTARILAPLGLSHTFITVPESAQSQYAYGYKNKKPVRVSPGQLDAESYGVKSASKDMLRWAEMNMEPSRAGNADLEMAMYLAQTRYYKTAAINQGLGWEMYDWPQQKDMIINGVTNEVALQPHPVTDNQVQPYNRASWVHKTGATTGFGAYVAFIPEKQVAIVILANKNYPNTERVKAAQAILSALE,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21,COC1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC21>>,public_strict_iteration1_fulltrue_msa,,-4.7447274948966935,,s_48f1ac4bda38415eab64c9f5,test
catpreddb_km_km_fa61d2eea0a4d5,catpred_iteration1_km,km,Q8MP06,Q8MP06,MFRKFVIMLVLSLLVAAGISQASSASRVCIIGAGYSGLATARYLQDYGLNYTIFEATPNIGGTWRYDPRVGTDEDGIPIYSSNYKNLRVNSPVDLMTYHGYEFQEGTRSFISGNCFYKYMKSFVRHFGLMENIQVRSLVTWVQRTEDKWNLTYMKTDTRKNYTEECDFVVVASGEFSTPKIPHIKGQEEYKGKTMHSHDYKEAESFRGQRVLVIGAGPSGLDVVMQLSNITSKLVHSQHILKSWHIFNQPDFPGNFISKPNVKHFTANGAVFEDDTVEEFDMVIYCTGFYYNHPFLSTLSSGITATENYVMPLYQQVVNINQPTMTFVGICKPFFAKLLDQQAHYSAKLAAGHFKLPSQDKMLRHWLEHVQMLREAQFKITDVNSVGPNVDEYFKALHKEAGVPLLPPVYASVFVFSGKTLLEDLQNYREYDYRIISDTQFKKKYNPREEVCPYDD,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-2.886056647693163,,s_f920b11baaa6c5444b21cf82,test
catpreddb_km_km_fa6cc8fbf1de62,catpred_iteration1_km,km,P9WHK9,P9WHK9,MAGPDRAELAELVRRLSVVHGRVTLSSGREADYYVDLRRATLHHRASALIGRLMRELTADWDYSVVGGLTLGADPVATAIMHAPGRPIDAFVVRKSAKAHGMQRLIEGSEVTGQRVLVVEDTSTTGNSALTAVHAVQDVGGEVVGVATVVDRATGAAEAIEAEGLRYRSVLGLADLGLD,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O,O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.5317431287605534,,s_2afc4eaf023153df9b9f42b2,test
catpreddb_km_km_fa793f4889a34f,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CCCCCCCCC/C=C\C(=O)SCCN=C([O-])CCN=C([O-])[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCC/C=C\C(=O)SCCN=C([O-])CCN=C([O-])[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCCCC/C=C\C(=O)SCCN=C([O-])CCN=C([O-])[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3665315444204136,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_fa8274eb875a37,catpred_iteration1_km,km,A0A6A5PUY7,A0A6A5PUY7,MTAPLVVLGNPLLDFQADVTAEYLAKYSLKENDAILVDAKSGDAKMAIFDELLQMPETKLVAGGAAQNTARGAAYVLGAGQVVYFGSVGKDKFSERLLNENEKAGVKSMYQVQNDIGTGKCAALITGHNRSLVTDLGAANFFTPDHLDKHWDLVEAAKLFYIGGFHLTVSPDAIVKLGQHAKENSKPFVLNFSAPFIPHVFKDALARVLPYATVIIANESEAEAFCDAFQLDCANTDLEAIAQRIVKDSPVEKTVIFTHGVEPTVVVSSKGTSTYPVKPLDSSKIVDTNGAGDAFAGGFMAGLTKGEDLETSIDMGQWLAALSIQEVGPSYPSEKISYSK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2648178230095365,,s_d053f6b16bee1b61e3a75110,test
catpreddb_km_km_faaf2a5ec2655a,catpred_iteration1_km,km,E9BLE1,E9BLE1,MNSNHADAGAPAMEKKMSDKEARKAARLAEEKARAEEKAALVEKYKDVFGAAPMVQSTTYKSRTHIPVAKLSQPELVSKTVLIRARVSTTRKKGKMAFMVLRDGSDSVQAMAAVEGNVPKEMIDFMGQIATESIVDVEATVCKVEQPITSTSHSDIELKVKKIHTVTESLRTLPFTLEDASRKESDEGAKVNLDTRLNSRWMDLRTPASGAIFRLQSRVCQYFRQFLIDNDFCEIHSPKIINAPSEGGANVFKLEYFNRFAYLAQSPQLYKQMVLQGDVPRVFEVGPVFRSENSNTHRHLTEFVGLDVEMRIDEHYYEVLDVAESLFNYIFEHLATHTKELKNVCQQYPFEPLVWKLTPEKMKELGVGVISENVVPTDKFQARVHNMDSRMLRINYMHCIELLNTVLDEKMAPTDDINTTNEKLLGKLVKERYGTDFFISDRFPSSVRPFYTMECKDDVRFTNSYDMFIRGEEISSGAQRIHDPDLLLARAKMLNVDLTPIKEYVDSFRLGAWPHGGFGVGLERVVMLYLGLSNVRLASLFPRDPQRTTP,N[C@@H](CC(=O)O)C(=O)O,N[C@@H](CC(=O)O)C(=O)O,N[C@@H](CC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.2218487496163563,,s_bb6d7dab460aa31b9793cbcb,test
catpreddb_km_km_fac82d854a9c6e,catpred_iteration1_km,km,Q7Z8P9,Q7Z8P9,MSNEQTFIAIKPDGVQRGLIGPIISRFENRGFKLVAMKLVSPPQSQLEQHYADLSDKPFFKGLVSYMLSGPICAMVWEGRDVVKTGRTILGATNPLASAPGTIRGDFAIDVGRNVCHGSDSVENAKKEIALWFKPEELISWKSATFDWVYEKA,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,0.3483048630481606,,s_cf15e7b0ad16095e703f227c,test
catpreddb_km_km_faca783b0198b1,catpred_iteration1_km,km,P42850,P42850,MAYRFIKWFEELSKNDVPLVGGKGANLGEMTNAGIPVPPGFCVTAEAYKYFVENVKVSKEDVKRILGEKVNKGTISEVLAQAPDEPRPLQDWIMDIISKTDVDDSKMLQENTEAIRTLIKSLDMPSEIAEEIKQAYKELSQRFGQEEVYVAVRSSATAEDLPEASFAGQQETYLDVLGADDVIDKVKRCWASLWTARATFYRAKQGFDHSKVYLSAVVQKMVNSEKSGVMFTANPVTNNRNEIMINASWGLGEAVVSGAVTPDEYIVEKGTWKIKEKVIAKKEVMVIRNPETGRGTVMVKVAEYLGPEWVEKQVLTDEQIIEVAKMGQKIEDHYGWPQDIEWAYDKDDGKLYIVQSRPITTLKEEATAEEAEEVEEAEVILKGLGASPGIGAGRVVVIFDASEIDKVKEGDILVTTMTNPDMVPAMKRAAAIVTDEGGRTSHAAIVSRELGIPCVVGTKEATKKLKTGMYVTVDGTRGLVYKGIVKSLVKKKEEAKAEGGQVVVAGAPLVTGTMVKVNVSMPEVAERAAATGADGVGLLRAEHMILSIGQHPIKFIKEGKEEELVEKLAEGIEKVAAAFYPRPVWYRTLDAPTNEFREMPGGEDEPEERNPMLGWRGIRRGLDQPELLRAEFKAIKKVVEKGYNNIGVMLPLVSHPEQIREAKRIAREVGLEPHKDVAWGVMIEVPAAAIIIEDLIKEGIDFVSFGTNDLTQYTLAIDRDNERVAKLYDETHPAVLKLIKHVIKVCKRYGVETSICGQAGSDPKMARILVRLGIDSISANPDAVQLIRQVVAQEERKLMLEAARKQLFEEEEEEELF,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-0.5,,s_38d7ada978c94cfe2890d3bb,test
catpreddb_km_km_fadab048ad0387,catpred_iteration1_km,km,P37062,P37062,MKVIVLGSSHGGYEAVEELLNLHPDAEIQWYEKGDFISFLSCGMQLYLEGKVKDVNSVRYMTGEKMESRGVNVFSNTEITAIQPKEHQVTVKDLVSGEERVENYDKLIISPGAVPFELDIPGKDLDNIYLMRGRQWAIKLKQKTVDPEVNNVVVIGSGYIGIEAAEAFAKAGKKVTVIDILDRPLGVYLDKEFTDVLTEEMEANNITIATGETVERYEGDGRVQKIVTDKNAYDADLVVVAVGVRPNTAWLKGTLELHPNGLIKTDEYMRTSEPDVFAVGDATLIKYNPADTEVNIALATNARKQGRFAVKNLEEPVKPFPGVQGSSGLAVFDYKFASTGINEVMAQKLGKETKAVTVVEDYLMDFNPDKQKAWFKLVYDPETTQILGAQLMSKADLTANINAISLAIQAKMTIEDLAYADFFFQPAFDKPWNIINTAALEAVKQER,O=C1C=C(O)C(=O)c2ccccc21,O=C1C=C(O)C(=O)c2ccccc21,O=C1C=C(O)C(=O)c2ccccc21>>,public_strict_iteration1_fulltrue_msa,,-1.0,,s_da3e7330520fa81074d588f7,test
catpreddb_km_km_fb239881734012,catpred_iteration1_km,km,P12860,P12860,MASHAALAPSRIPASTRLASKASQQYSFLTQCSFKRLDVADFSGLRSSNSVTFTREASFHDVIAAQLTTKPTGAAPVRGETVAKLKVAINGFGRIGRNFLRCWHGRKDSPLDVVVVNDSGGVKSATHLLKYDSILGTFKADVKIIDNETFSIDGKPIKVVSNRDPLKLPWAELGIDIVIEGTGVFVDGPGAGKHIQAGAKKVIITAPAKGSDIPTYVVGVNEKDYGHDVANIISNASCTTNCLAPFVKVLDEELGIVKGTMTTTHSYTGDQRLLDASHRDLRRARAAALNIVPTSTGAAKAVSLVLPQLKGKLNGIALRVPTPNVSVVDLVVNIEKVGVTAEDVNNAFRKAAAGPLKGVLDVCDIPLVSVDFRCSDFSSTIDSSLTMVMGGDMVKVVAWYDNEWGYSQRVVDLADLVANKWPGLEGSVASGDPLEDFCKDNPADEECKLYE,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1,NC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.4715475743317636,,s_6c4ee0d94efd8acbc45fe111,test
catpreddb_km_km_fb2bbf60cb9a7b,catpred_iteration1_km,km,Q04416,Q04416,MHRTSNGSHATGGNLPDVASHYPVAYEQTLDGTVGFVIDEMTPERATASVEVTDTLRQRWGLVHGGAYCALAEMLATEATVAVVHEKGMMAVGQSNHTSFFRPVKEGHVRAEAVRIHAGSTTWFWDVSLRDDAGRLCAVSSMSIAVRPRRD,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0915149811213502,,s_ed9dbcb8a43c0fe9b3d31b21,test
catpreddb_km_km_fb40dd448d7d4e,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,CCCC(=O)C(=O)[O-],CCCC(=O)C(=O)[O-],CCCC(=O)C(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,0.6020599913279624,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_fb604b736beb47,catpred_iteration1_km,km,Q2LQP0,Q2LQP0,MYINTETEDLKTAIDAIRKAVKDRIAPLAAEVDDSGVIKPEIYDLLWDLGLMTVTYPPEYGGSETNPGTLLCIGCEEIAKACASTALLLIIQAVGSFPLMHGGRKELLDRIAPRIVNNRELAGYLVSEPGAGSDVKAIRTKAVKDGNDWVINGTKCWATNGPIASFYSCLCRTKDDKGVQGYSFFLVERNTPGLSVGKIEHKMGMRGSQTSEVILEDVRVPAENLLGELNNGFKLAMKDFDMSRPAIAAQALGISEGAFAQMETYSRERYTFGKPLCEHGMITQIIADSAALIEAGRGLIYQAADLYDKGKKNTKLASMAKFFMGDAAVKITTDAIQVFGGYGYTHDYPVERMFRDAKLTQIFEGANQIQRIVVAREIRDEQSK,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1>>,public_strict_iteration1_fulltrue_msa,,-1.6575773191777938,,s_42da3391f7393a57b9e34973,test
catpreddb_km_km_fb630f65ba00c6,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,Nc1nc2c([nH]c(=O)n2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-4.346787486224656,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_fbab0ab9f8f5b0,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_fbd726a45b3cc4,catpred_iteration1_km,km,A0A832W5V7,A0A832W5V7,MEGFKIAMKVIDEIDKKIKPLIGWEKADEVVKIGADGTPTKRIDVIAENMAINILEKFSGGILISEEIGLKVVGDELEYIFILDPIDGTYNALKSIPIYSTSIAVAKIKGEDKKLIRENINNIDWIKSFIANKYTINDLYVGIVKNLATGDLYYAIKGEGSFLEKDGEKIKIETKNIKDLKEASVGLFVYGLSNDLLEFLKERKVRRVRLFGSMALEMCYVVSGALDAYINVNENSRLCDIAGAYVICREGNAIVTNKNGKPLNMKLHLMERTSLIVSNKYLHKKLIALFGNRWIIKPVKFGIVVREDKEEAINLAIEICKYLKDKNIPFCVEDFLRERVGGDKFDISAISHIIAIGGDGTILRASRLVNGETIPIIAVNMGKVGFLAEFCKDEVFEIIDKVIYGEYEIEKRSKLSCKIIKDNRVIKTPSALNEMVVITKNPAKILEFDVYVNDTLVENVRADGIIVSTPTGSTAYSLSAGGPIVEPNVDCFIISPICPFKLSSRPLVISASNRIKLKLKLEKPALLVIDGSVEYEINKDDELIFEKSDSYAYFVKGQSFYNKLSRCLGIK,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.4559319556497244,,s_65b17f02c00084bc7891919d,test
catpreddb_km_km_fbee9cf5c1c418,catpred_iteration1_km,km,Q4JDH2,Q4JDH2,MSVIRVTDLDLKGKRVLIRADLNVPVKDGKVTSDARISASMGTIDYCLKQGGKVMVTSHLGRPEEGVWTGENSLKPVADNISERLGKPVRLVKDWVDGNFDVAEGELVILENCRFNKGEKKNADETAQKYARLCDVFVMDAFGTAHRAEASTYGIARYAPVACASILLTEELDALTRALLDPARPMVAIVGGSKVSTKLTVLESLSEKVDQLVVGGGIASTFLKAAGKNVGKSLCEDDLVPTAKMLMEKMAKRNATIPIAVDVVVGKKFDASEPAVLKDAGAVTDDDMIFDVGPKSARELSDIIMKAGTVVWNGPVGVFEFDQFGAGTKTIAMAIAHTKAFTLAGGGDTIAAIQKYDIYDKVSYISTAGGAFLEFLEGKKLPAVEILEQRAQ,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2291479883578558,,s_8f65b07c1f04160f520ff6b0,test
catpreddb_km_km_fbefaadc81920b,catpred_iteration1_km,km,Q5JDG9,Q5JDG9,MKLDVIGIGNLNYDIIFTLERFPEFHEKINARGAHFGLGGAAANTISWLAHFGLKTGYIGAVGNDDVGEMHIKYFQGIGVDTGGIDVVEEPSGVAVAMVAGDDKRIVKYPGANLRRRFKPEYASRAKFLHLSSNPPELIEEAVNFASQRGIKVSLDIGEAPLPRELESKVDYLMMNEDEYRRKYGSLDPSLCRAKNLVVTLNGGGALVREGDNVFEVRGLSAKVVDSTGAGDSFDAGVIYGVLNGWSLLDSAKLGMLLAYLTVQKVGARSAIVPLEEVKRIAREVGLDLPFNRT,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.7432860752591781,,s_f908f38bc94d284bc9412649,test
catpreddb_km_km_fbf4d7efbb8b1c,catpred_iteration1_km,km,P19337,P19337,MNLVQDKVTIITGGTRGIGFAAAKIFIDNGAKVSIFGETQEEVDTALAQLKELYPEEEVLGFAPDLTSRDAVMAAVGQVAQKYGRLDVMINNAGITSNNVFSRVSEEEFKHIMDINVTGVFNGAWCAYQCMKDAKKGVIINTASVTGIFGSLSGVGYPASKASVIGLTHGLGREIIRKNIRVVGVAPGVVNTDMTNGNPPEIMEGYLKALPMKRMLEPEEIANVYLFLASDLASGITATTVSVDGAYRP,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-0.3659802750328796,,s_d03200ffedefa96a991b2b1a,test
catpreddb_km_km_fc0652fbd00c80,catpred_iteration1_km,km,Q2V6K1,Q2V6K1,MGSVGSDNTHIFLVCYPAQGHINPMLRLGKYLAAKGLLVTFSTTEDYGNKMRNANGIVDNHPTPVGNGFIRFEFFDDSLPDPDDPRRTNLEFYVPLLEKVGKELVTGMIKKHGEEGGARVSCLVNNPFIPWVCDVATELGIPCATLWIQSCAVFSAYFHYNAETVKFPTEAEPELDVQLPSTPLLKHDEIPSFLHPFDPYAILGRAILGQFKKLSKSSYILMDTIQELEPEIVEEMSKVCLVKPVGPLFKIPEATNTTIRGDLIKADDCLDWLSSKPPASVVYISFGSIVYLKQEQVDEIAHGLLSSGVSFLWVMRPPRKAAGVDMHVLPEGFLEKVGDNGKLVQWSPQEQVLAHPSLACFLTHCGWNSSVEALTLGVPVVTFPQWGDQVTNAKYLVDVFGVGLRLCRGVAENRLVLRDEVEKCLLEATVGEKAVQLKHNALKWKKVAEEAVAEGGSSQRNLHDFIDEIARTSIA,COc1cc(/C=C/C(=O)O)cc(OC)c1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O,COc1cc(/C=C/C(=O)O)cc(OC)c1O>>,public_strict_iteration1_fulltrue_msa,,-1.3467874862246565,,s_a6bfd646457ffec3f91681c4,test
catpreddb_km_km_fc20f5dfd660bc,catpred_iteration1_km,km,Q9WX55,Q9WX55,MRTASITITGAQVWNGDGFDARDVHIVDGRVADAGDPDARRLDGSGRWLVPGLIDAHFHAYATSMDGLENERGPLSYAAINGATRLSKALQRGFTTVRDVAGGDIGLARAIDADLFPSPRYHFTGPALSQTGGHGDPRSAHVDVCFSHGHMCEVVDGVDNLRLAVRNRLRTGAHAIKVMASGGVFSLTDPIRVPQYSADELRAVVDEATRRGSYVCAHAYSSEAVQHAVTAGVRSIEHGNLIDAETARLMAEAGAFLVPTLAAYDAMDRRGAEIGLNETSLAKNSEVLSKGQDAVRLAHEAGVRVGFGTDLMGDLEDDQLAGIRLQVEASGAAATLRSMTAVNAELIGDESLGHLNAGAYGDAVLLASDPLAEPAALWQQDARLAVVRAGSVI,NC(CO)C(=O)N1CCCC1C(=O)O,NC(CO)C(=O)N1CCCC1C(=O)O,NC(CO)C(=O)N1CCCC1C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.958607314841775,,s_668310886d09794f507cf2a6,test
catpreddb_km_km_fc25eee403bebe,catpred_iteration1_km,km,A8BB85,A8BB85,MSAGKTVVIALGGNAMLQAKEKGDYDTQRKNVEIAASEIYKIHKAGYKVVLTSGNGPQVGAIKLQNQAAAGVSPEMPLHVCGAMSQGFIGYMMSQAMDNVFCANNEPANCVTCVTQTLVDPKDQAFTNPTKPVGRFYTEQEAKDLMAANPGKILREDAGRGWRVVVPSPRPLEIVEYGVIKTLIDNNVLVICTNGGGIPCKRENKVISGVDAVIDKDLATSLLAKTLNSDYLMILTDVLNACINYKKPDERKLEEIKLSEILALEKDGHFAAGSMGPKVRAAIEFTQATGKMSIITSLSTAVDALNGKCGTRIIKD,NC(=O)[O-],NC(=O)[O-],NC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,1.6334684555795866,,s_72c06ac273d521cddbd7338f,test
catpreddb_km_km_fc49b0dc2278ff,catpred_iteration1_km,km,E3W9M2,E3W9M2,MNMSCKFEIVLLVSWWLLLVLVFGVESSMFSEFDRLDFPKHFIFGASSCAYQVEGAAFEDGRTLSTFDIAAHSGHLPGNGDITSDEYHKYKEDVELMVETGLDAYRFSISWSRLIPNGRGPVNPKGLEYYNNLVNALLTKGTQPHVTLLHSDLPQALRDEYGGLFISPKFIDDFVAYADVCFREFGDRVLHWTTFNEANFLAFGDENTPASALYLSAHHLLLAHASATRLYRENYQASQRGFIGINVYAYDFIPETNTEVDVIAAKRARDFFIGWFVQPLMNGEYPLTMRKNGGPRLPKFTPNETELLTGSYDFIGLNYYTAKTVKDDPVMLTVEPRNYYTDQGLISSYLGNIDPYQGHPFFNTPWGLHDVLQQFKQVYGNPPVYIHENGEVGDHDADYDKLINDIPRVEYLQGHIRAVLDAVRNGSNVKGYFVWSFLDMYELMYGTKFTFGLYYIDFNDPKLTRHPKLSQKWYSRFLKGEKASTKASIHTPNEAETHTYFY,[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[o+]c(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12,[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[o+]c(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12,[O-]c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2[o+]c(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12>>,public_strict_iteration1_fulltrue_msa,,-2.3526170298853804,,s_48e9b1367836a0093d7ae75d,test
catpreddb_km_km_fc4b821b3d25df,catpred_iteration1_km,km,P67603,P67603,MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL,CC(O)=Nc1nc(O)ncc1F,CC(O)=Nc1nc(O)ncc1F,CC(O)=Nc1nc(O)ncc1F>>,public_strict_iteration1_fulltrue_msa,,0.3222192947339193,,s_569e57fb53fdf691b150d83f,test
catpreddb_km_km_fc54ebbbd7605d,catpred_iteration1_km,km,P77674,P77674,MQHKLLINGELVSGEGEKQPVYNPATGDVLLEIAEASAEQVDAAVRAADAAFAEWGQTTPKVRAECLLKLADVIEENGQVFAELESRNCGKPLHSAFNDEIPAIVDVFRFFAGAARCLNGLAAGEYLEGHTSMIRRDPLGVVASIAPWNYPLMMAAWKLAPALAAGNCVVLKPSEITPLTALKLAELAKDIFPAGVINILFGRGKTVGDPLTGHPKVRMVSLTGSIATGEHIISHTASSIKRTHMELGGKAPVIVFDDADIEAVVEGVRTFGYYNAGQDCTAACRIYAQKGIYDTLVEKLGAAVATLKSGAPDDESTELGPLSSLAHLERVGKAVEEAKATGHIKVITGGEKRKGNGYYYAPTLLAGALQDDAIVQKEVFGPVVSVTPFDNEEQVVNWANDSQYGLASSVWTKDVGRAHRVSARLQYGCTWVNTHFMLVSEMPHGGQKLSGYGKDMSLYGLEDYTVVRHVMVKH,CC(=O)C=O,CC(=O)C=O,CC(=O)C=O>>,public_strict_iteration1_fulltrue_msa,,0.6760912590556812,,s_5f171a39f788d95d16fb2f10,test
catpreddb_km_km_fc595b9eac76c3,catpred_iteration1_km,km,P55772,P55772,MEDIKDSKVKRFCSKNILIILGFTSILAVIALIAVGLTQNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQQLEECQVKGPGISKYAQKTDEIGAYLAECMELSTELIPTSKHHQTPVYLGATAGMRLLRMESEQSADEVLAAVSTSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLSLISDSQKQETFGALDLGGASTQITFVPQNSTIESPENSLQFRLYGEDYTVYTHSFLCYGKDQALWQKLAKDIQVSSGGVLKDPCFNPGYEKVVNVSELYGTPCTKRFEKKLPFDQFRIQGTGDYEQCHQSILELFNNSHCPYSQCAFNGVFLPPLHGSFGAFSAFYFVMDFFKKVAKNSVISQEKMTEITKNFCSKSWEETKTSYPSVKEKYLSEYCFSGAYILSLLQGYNFTDSSWEQIHFMGKIKDSNAGWTLGYMLNLTNMIPAEQPLSPPLPHSTYIGLMVLFSLLLVAVAITGLFIYSKPSYFWKEAV,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.2924298239020636,,s_1d6314abafdcf5412b30cbfd,test
catpreddb_km_km_fcca81ad9e647a,catpred_iteration1_km,km,Q8VDQ1,Q8VDQ1,MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAKGLENMGVAFQSMMTGGNVGKQIVCISEDSSL,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,CCCCCC(=O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3045183235098026,,s_ba9c9039bbb8f20cfcbf2504,test
catpreddb_km_km_fcd223f7b78521,catpred_iteration1_km,km,Q76IQ9,Q76IQ9,MKYGYFDNDNREYVITRPDVPAPWTNYLGTEKFCTVISHNAGGYSFYNSPEYNRVTKFRPNATFDRPGHYVYLRDDDSGDYWSISWQPVAKSLDEAQYQIRHGLSYSKFQCDYNGIHARKTLFVPKGEDAEIWDVVIKNTSDQVRTISAFSFVEFSFSHIQSDNQNHQMSLYSAGTAYRPGLIEYDLYYNTDDFEGFYYLASTFDPDSYDGQRDRFLGLYRDEANPLAVEQGRCSNSAQTCYNHCGSLHKQFTLQPGEEIRFAYILGIGKGNGERLREHYQDVANIDAAFAAIKAHWDERCAKFQVKSPNQGLDTMINAWTLYQAETCVVWSRFASFIEVGGRTGLGYRDTAQDAISVPHANPEMTRKRIVDLLRGQVKAGYGLHLFDPDWFDPEKEDVAPSKSPTVVPTPSDEDKIHGIKDTCSDDHLWLIPTICKYVMETGETSFFDQMIPYADGGEASVYEHMKAALDFSAEYVGQTGICKGLRADWNDCLNLGGGESSMVSFLHFWALQEFIDLAKFLGKDQDVNTYTEMAANVREACETHLWDDEGGWYIRGLTKNGDKIGTAQQQEGRVHLESNTLAVLSGLASQERGEQAMDAVDEHLFSPYGLHLNAPSFSTPNDDIGFVTRVYQGVKENGAIFSHPNPWAWVAETKLGRGDRAMKFYDALNPYNQNDIIEKRIAEPYSYVQFIMGRDHQDHGRANHPWLTGTSGWAYFAVTNYILGVQSGFTGLSVDPCIPSDWPGFEVTRQWRGATYHIQVENPDHVSKGVKSITLNGAPIQGRIPPQAQGSDNQVVVVLG,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O,CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.3010299956639812,,s_d24d15431a8db96d17b3098d,test
catpreddb_km_km_fd014a14d5c21c,catpred_iteration1_km,km,Q9C8X2,Q9C8X2,MGALEAERAANNATALETQSSPEDLGQPSPLRKIISVASIAAGVQFGWALQLSLLTPYIQLLGIPHKWSSYMWLCGPISGMIVQPIVGYHSDRCESRFGRRRPFIAAGVALVAVSVFLIGFAADMGHSFGDKLENKVRTRAIIIFLTGFWFLDVANNTLQGPCRAFLADLAAGDAKKTRVANACFSFFMAVGNVLGYAAGSYTNLHKMFPFTMTKACDIYCANLKTCFFLSITLLLIVTFSSLWYVKDKQWSPPQGDKEEKTSSLFFFGEIFGAVRHMKRPMVMLLIVTVINWIAWFPFILYDTDWMGREVYGGNSDGDERSKKLYDQGVQAGALGLMFNSILLGFVSLGVESIGRKMGGAKRLWGCVNFILAIGLAMTVLVTKSAEHHREIAGPLAGPSSGIKAGVFSLFTVLGIPLAITYSIPFALASIFSTNSGAGQGLSLGVLNIAICIPQMIVSFSSGPLDAQFGGGNLPSFVVGAIAAAVSGVLALTVLPSPPPDAPAMSGAMGFH,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_b843815209e42f1713f1f092,test
catpreddb_km_km_fd0274f0ad4910,catpred_iteration1_km,km,Q7NXD4,Q7NXD4,MANIDLHFHSRTSDGALTPTEVIDRAAARAPALLALTDHDCTGGLAEAAAAAARRGIPFLNGVEVSVSWGRHTVHIVGLGIDPAEPALAAGLKSIREGRLERARQMGASLEAAGIAGCFDGAMRWCDNPEMISRTHFARHLVDSGAVKDMRTVFRKYLTPGKPGYVSHQWASLEDAVGWIVGAGGMAVIAHPGRYDMGRTLIERLILDFQAAGGQGIEVASGSHSLDDMHKFALHADRHGLYASSGSDFHAPGEGGRDVGHTEDLPPICRPIWRELEARILRPAD,N=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(O)n1,N=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)c(O)n1>>,public_strict_iteration1_fulltrue_msa,,-1.585026652029182,,s_e0f623cd94c0aa81a9f286da,test
catpreddb_km_km_fd0316f3e8d54d,catpred_iteration1_km,km,Q9WWU5,Q9WWU5,MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG,CCCCCCCCCOS(=O)(=O)O,CCCCCCCCCOS(=O)(=O)O,CCCCCCCCCOS(=O)(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2218487496163564,,s_ed1da6ee1f0316db8fdb5b0f,test
catpreddb_km_km_fd218557600c67,catpred_iteration1_km,km,Q54QG0,Q54QG0,MNDSPIISVVLPFLIKDNDDKSLNYQGINNLIISIDSIIEQTFKEWELILVDDGSNNEILEQLLSKRYSTDNRIKFIINKENKGIVKSLNDAILNHCSPTSKYIARMDSDDISHPTRLQSQLKYLQSNETIDILGCPIKMFNNNKLIEILNNNNNNNNINNNVKELINIINNEESFKFIQHPDKDILMWSMFFNCCIVHPSVIFKRSIFTIEHCYEENNQFPFIEDYLFWLKSLIMKGLNISNIQSSTPLLYLRKHNNSISFKNIEKQKDSTANASCYYLNILFKRFNIDSEIIQNSSLSMKEIIQFFQLSPSSLSKINNISIELFEFAFKYLELIEKSCTKQQPNYSNSIKDAANEKMGELVSLCLSNYPNNQKSSLLWEKWLSRNPTSQLLSLLSNLNVKSSTTIINNNINNNNNNNNNNNNNNNNNNNNNNNNNNNNNSILNFISGINSNKINTPKSNNNKFKENGIRIICFSKDRAFQLKEYLRTFFKYLKNDDNGNDKFEIIVDVLFTYSNEKFKNSYQLVIESFPQVNFIKEENFTDQLINLVQKTNKLEYVMFSVDDILYYNEFNLKEYCLSLNSEPLALGFYMKLNKNITYCHTCNQDITIPLNSNTISRTENNFKYLKWNRNDNDCKKDWNYPWDLCSTIYRCNDIDSIINGIVKYYGIRNGINHPNRFEFNGNRPIIQKQIYQNKPYCLCLSDHYSPMSVVTINRVQDVYDNPIYDQTLSLDDLDQLLYSNKSLNDEKYKENSLSLNFKSVHIGELFIS,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,CC(O)=N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.4471580313422192,,s_d78cd9306f4c0ebd61f6cc1c,test
catpreddb_km_km_fd21c315c7cb28,catpred_iteration1_km,km,P00791,P00791,MKWLLLLSLVVLSECLVKVPLVRKKSLRQNLIKNGKLKDFLKTHKHNPASKYFPEAAALIGDEPLENYLDTEYFGTIGIGTPAQDFTVIFDTGSSNLWVPSVYCSSLACSDHNQFNPDDSSTFEATSQELSITYGTGSMTGILGYDTVQVGGISDTNQIFGLSETEPGSFLYYAPFDGILGLAYPSISASGATPVFDNLWDQGLVSQDLFSVYLSSNDDSGSVVLLGGIDSSYYTGSLNWVPVSVEGYWQITLDSITMDGETIACSGGCQAIVDTGTSLLTGPTSAIANIQSDIGASENSDGEMVISCSSIDSLPDIVFTINGVQYPLSPSAYILQDDDSCTSGFEGMDVPTSSGELWILGDVFIRQYYTVFDRANNKVGLAPVA,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)O,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)O,CCCC[C@H](N=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N=C(O)[C@H](CO)N=C(O)[C@@H](N)CC(C)C)C(O)=N[C@@H](C)C(O)=N[C@@H](CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.8003667043120388,,s_51fb59894537d5f9b847a2af,test
catpreddb_km_km_fd2981e33f25ee,catpred_iteration1_km,km,P14925,P14925,MAGRARSGLLLLLLGLLALQSSCLAFRSPLSVFKRFKETTRSFSNECLGTIGPVTPLDASDFALDIRMPGVTPKESDTYFCMSMRLPVDEEAFVIDFKPRASMDTVHHMLLFGCNMPSSTGSYWFCDEGTCTDKANILYAWARNAPPTRLPKGVGFRVGGETGSKYFVLQVHYGDISAFRDNHKDCSGVSVHLTRVPQPLIAGMYLMMSVDTVIPPGEKVVNADISCQYKMYPMHVFAYRVHTHHLGKVVSGYRVRNGQWTLIGRQNPQLPQAFYPVEHPVDVTFGDILAARCVFTGEGRTEATHIGGTSSDEMCNLYIMYYMEAKYALSFMTCTKNVAPDMFRTIPAEANIPIPVKPDMVMMHGHHKEAENKEKSALMQQPKQGEEEVLEQGDFYSLLSKLLGEREDVHVHKYNPTEKTESGSDLVAEIANVVQKKDLGRSDAREGAEHEEWGNAILVRDRIHRFHQLESTLRPAESRAFSFQQPGEGPWEPEPSGDFHVEEELDWPGVYLLPGQVSGVALDSKNNLVIFHRGDHVWDGNSFDSKFVYQQRGLGPIEEDTILVIDPNNAEILQSSGKNLFYLPHGLSIDTDGNYWVTDVALHQVFKLDPHSKEGPLLILGRSMQPGSDQNHFCQPTDVAVEPSTGAVFVSDGYCNSRIVQFSPSGKFVTQWGEESSGSSPRPGQFSVPHSLALVPHLDQLCVADRENGRIQCFKTDTKEFVREIKHASFGRNVFAISYIPGFLFAVNGKPYFGDQEPVQGFVMNFSSGEIIDVFKPVRKHFDMPHDIVASEDGTVYIGDAHTNTVWKFTLTEKMEHRSVKKAGIEVQEIKEAEAVVEPKVENKPTSSELQKMQEKQKLSTEPGSGVSVVLITTLLVIPVLVLLAIVMFIRWKKSRAFGDHDRKLESSSGRVLGRFRGKGSGGLNLGNFFASRKGYSRKGFDRVSTEGSDQEKDEDDGTESEEEYSAPLPKPAPSS,CCc1ccc(C(=O)NCC(=O)O)cc1,CCc1ccc(C(=O)NCC(=O)O)cc1,CCc1ccc(C(=O)NCC(=O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,0.0791812460476248,,s_561d25f18146a50ef54647cd,test
catpreddb_km_km_fd38e3e0d66036,catpred_iteration1_km,km,Q0KEG0,Q0KEG0,MSNFIVKKVAVLGAGVMGAQIAAHLINARVPVVLFDLPAKEGPKNGIALRAIENLKKLSPAPLGIKEEAGLIQAANYEDDIALLKECDLVIEAIAERMDWKHDLYKKVAPHLASHAIFATNTSGLSITALSDGFDADLKSRFCGVHFFNPPRYMHLVELIPTATTQPQILDQLEAFLTTTLGKGVVRAKDTPNFIANRVGIFSILAVFAEAEKFGIPFDVVDDLTGSKLGRAKSATFRTADVVGLDTMAHVIKTMQDTLHDDPFAPVYKTPAVLKGLVDAGALGQKTGAGFYKKEGKAIKVLDAKTGQYVDAGKKADEIVVRMLKKDAAERIKLLRESTNPQAQFLWAVFRDVFHYIAVYLEQIAGSAADIDLAIRWGFGWNSGPFEDWQSAGWKQVAEWVKEDVEAGKALSAAPLPAWVFEGPVAENQGVHAAAGSWSPATQSFVARSKLPVYQRQAFRAAIKGTAAADPRKAGRTVEENDAVRIWVSEGQDDVLVVSFKSKMNTIGPDVIDGLTRAIDLAEAGYKGLVVWQPTSLQLGAPGGPFSAGANLEAAMPAFMMGGAKGIEPFVKRFQDGMMRVKYASVPVVSAASGIALGGGCELMLHSASRVAALETYIGLVEVGVGLVPAGGGLKEAALAAARAAQAAGSTNILQFLTSRFQSAAMAKVSASALEARQMGYLQPSDKIVFNVHELLYVAQNEVRALASAGYRAPLPTLVPVAGRSGIATIKASLVNMRDGGFISTHDFLIASRIAEAVCGGDVEAGSLVSEDWLLALERKAFVDLLGTGKTQERIMGMLQTGKPVRN,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CC(=O)CC(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2189725851718107,,s_a4c56df36927ef665ab849be,test
catpreddb_km_km_fd4c8270109046,catpred_iteration1_km,km,Q9I530,Q9I530,MRILFFSSQAYDSESFQASNHRHGFELHFQQAHLQADTAVLAQGFEVVCAFVNDDLSRPVLERLAAGGTRLVALRSAGYNHVDLAAAEALGLPVVHVPAYSPHAVAEHAVGLILTLNRRLHRAYNRTREGDFSLHGLTGFDLHGKRVGVIGTGQIGETFARIMAGFGCELLAYDPYPNPRIQALGGRYLALDALLAESDIVSLHCPLTADTRHLIDAQRLATMKPGAMLINTGRGALVNAAALIEALKSGQLGYLGLDVYEEEADIFFEDRSDQPLQDDVLARLLSFPNVVVTAHQAFLTREALAAIADTTLDNIAAWQDGTPRNRVRA,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.5885891773484475,,s_6f1b26bb728339167f950138,test
catpreddb_km_km_fd5768ec9e662b,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9746941347352298,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_fd5b88efb046eb,catpred_iteration1_km,km,Q9P380,Q9P380,MSSIEEQITKSDSDFIISEDQSYLSKEKKADGSATINTADEQSSTDELQKSMSTGVLVNGDLYPSPTEEELATLPRVCGTIPWKAFIIIIVELCERFAYYGLTVPFQNYMQFGPKDATPGALNLGESGADGLSNFFTFWCYVTPVGAALIADQFLGRYNTIVCSAVIYFIGILILTCTAIPSVIDAGKSMGGFVVSLIIIGLGTGGIKSNVSPLMAEQLPKIPPYVKTKKNGSKVIVDPVVTTSRAYMIFYWSINVGSLSVLATTSLESTKGFVYAYLLPLCVFVIPLIILAVSKRFYKHTPPSGSIFVRVGQVFFLAAQNKFNLEKTKPSCTTTVGRVTLKDQWDDLFIDELKRALRACKTFLFYPIYWVCYGQMTNNLISQAGQMQTGNVSNDLFQAFDSIALIIFIPICDNIIYPLLRKYNIPFKPILRITLGFMFATASMIYAAVLQAKIYQRGPCYANFTDTCVSNDISVWIQIPAYVLIAFSEIFASITGLEFAFTKAPPSMKSIITALFLFTNAFGAILSICISSTAVNPKLTWMYTGIAVTAFIAGIMFWVCFHHYDAMEDEQNQLEFKRNDALTKKDVEKEVHDSYSMADESQYNLEKATAEEEIMKST,CC(C)CC(N)C(O)=NC(CC(C)C)C(=O)O,CC(C)CC(N)C(O)=NC(CC(C)C)C(=O)O,CC(C)CC(N)C(O)=NC(CC(C)C)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3288271572849168,,s_a1f507aa830e3b9ab2cd0198,test
catpreddb_km_km_fd7e5be41dd0c6,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,O=CC(O)CO,O=CC(O)CO,O=CC(O)CO>>,public_strict_iteration1_fulltrue_msa,,1.442680610015756,,s_451a9f71732397357584e474,test
catpreddb_km_km_fd8e3376bd8f8d,catpred_iteration1_km,km,Q0GYU4,Q0GYU4,MASKTYTLNTGAKIPAVGFGTFANEGAKGETYAAVTKALDVGYRHLDCAWFYHNEDEVGDAVRDFLARRPDVKREDLFICTKVWNHLHEPEDVKWSAKNSCENLKVDYIDLFLVHWPIAAEKNSDRSVKLGPDGKYVINQALTENPEPTWRAMEELVESGLVKAIGVSNWTIPGLKKLLQIAKIKPAVNQIEIHPFLPNEELVAFCFENGILPEAYSPLGSQNQVPSTGERVRDNPTLKAVAERSGYSLAQILLAWGLKRGYVVLPKSSTPSRIESNFNIPELSDEDFEAIQQVAKGRHTRFVNMKDTFGYNVWPEEE,OCC(O)CO,OCC(O)CO,OCC(O)CO>>,public_strict_iteration1_fulltrue_msa,,2.544068044350276,,s_451a9f71732397357584e474,test
catpreddb_km_km_fd9bbbab714491,catpred_iteration1_km,km,Q75I93,Q75I93,MAARRANCALVLVLALALLAARDAGAAAVPKPNWLGGLSRAAFPKRFVFGTATSAYQVEGMAASGGRGPSIWDAFAHTPGNVAGNQNGDVATDQYHRYKEDVNLMKSLNFDAYRFSISWSRIFPDGEGRVNQEGVAYYNNLINYLLQKGITPYVNLYHYDLPLALEKKYGGWLNAKMADLFTEYADFCFKTFGNRVKHWFTFNEPRIVALLGYDQGTNPPKRCTKCAAGGNSATEPYIVAHNFLLSHAAAVARYRTKYQAAQQGKVGIVLDFNWYEALSNSTEDQAAAQRARDFHIGWYLDPLINGHYPQIMQDLVKDRLPKFTPEQARLVKGSADYIGINQYTASYMKGQQLMQQTPTSYSADWQVTYVFAKNGKPIGPQANSNWLYIVPWGMYGCVNYIKQKYGNPTVVITENGMDQPANLSRDQYLRDTTRVHFYRSYLTQLKKAIDEGANVAGYFAWSLLDNFEWLSGYTSKFGIVYVDFNTLERHPKASAYWFRDMLKH,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.2833012287035495,,s_ab13e3cea9881252fe12bdf6,test
catpreddb_km_km_fd9be29ac85ea0,catpred_iteration1_km,km,C8CJG6,C8CJG6,MFYMTAQDYSVFDVVVVGSGAAGMVAALTAAHQGLSTVVVEKAPHYGGSTARSGGGVWIPNNEVLQRDGVKDTAAEARKYLHAIIGDVVPAEKIDTYLDRSPEMLSFVLKNSPLKLCWVPGYSDHYPETPGGKATGRSVEPKPFNAKKLGPDEKGLEPPYGKVPLNMVVLQQDYVRLNQLKRHPRGVLRSIKVGVRSVWANATGKNLVGMGRALIAPLRIGLQKAGVPVLLNTALTDLYIEDGVVRGIYVREAGAPESAEPKLIRARRGVILGSGGFEHNQEMRTKYQRQPITTEWTVGAVANTGDGILAAEKLGAALELMEDAWWGPTVPLEGAPWFALSERNSPGSIIVNMNGKRFMNESMPYVEACHHMYGGQYGQGAGPGENVPAWMIFDQQYRDRYIFAGLQPGQRIPKKWMESGIIVKADSLAELAEKTGVAADALKATIERFNGFARSGVDEDFHRGESAYDRYYGDPTNKPNPNLGEIKHGPFYAAKMVPGDLGTKGGIRTDVHGRALRDDNSVIEGLYAAGNVSSPVMGHTYPGPGGTIGPAMTFGYLAALHLAGKA,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12>>,public_strict_iteration1_fulltrue_msa,,-0.7958800173440752,,s_b5ac5daf98080f0adc396a85,test
catpreddb_km_km_fda16cebd4f4df,catpred_iteration1_km,km,Q93NG6,Q93NG6,MTVTSQVKPEDEMLNWGRLILDGVSYSDMVGARDRPKEITWFDYWMSLANEYEQEAERKVALGHDLSAGELLMSAALCAQYAQFLWFDERRQKGQARKVELYQKAAPLLSPPAERHELVVDGIPMPVYVRIPEGPGPHPAVIMLGGLESTKEESFQMENLVLDRGMATATFDGPGQGEMFEYKRIAGDYEKYTSAVVDLLTKLEAIRNDAIGVLGRSLGGNYALKSAACEPRLAACISWGGFSDLDYWDLETPLTKESWKYVSKVDTLEEARLHVHAALETRDVLSQIACPTYILHGVHDEVPLSFVDTVLELVPAEHLNLVVEKDGDHCCHNLGIRPRLEMADWLYDVLVAGKKVAPTMKGWPLNG,CNCCCC(=O)c1ccc(O)nc1O,CNCCCC(=O)c1ccc(O)nc1O,CNCCCC(=O)c1ccc(O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-2.2218487496163566,,s_a3726f2264e0a116d65fe266,test
catpreddb_km_km_fdc5e5a95d3d03,catpred_iteration1_km,km,P19992,P19992,MNDLSGKTVIITGGARGLGAEAARQAVAAGARVVLADVLDEEGAATARELGDAARYQHLDVTIEEDWQRVVAYAREEFGSVDGLVNNAGISTGMFLETESVERFRKVVDINLTGVFIGMKTVIPAMKDAGGGSIVNISSAAGLMGLALTSSYGASKWGVRGLSKLAAVELGTDRIRVNSVHPGMTYTPMTAETGIRQGEGNYPNTPMGRVGNEPGEIAGAVVKLLSDTSSYVTGAELAVDGGWTTGPTVKYVMGQ,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-1.0586808191519808,,s_2f0202dd752d2ea76fa66717,test
catpreddb_km_km_fdd98a36ed0eb5,catpred_iteration1_km,km,P42269,P42269,MKKVNHWINGKNVAGNDYFLTTNPATGEVLADVASGGEAEINQAVATAKEAFPKWANLPMKERARLMRRLGDLIDQNVPEIAAMETADTGLPIHQTKNVLIPRASHNFEFFAEVCQQMNGKTYPVDDKMLNYTLVQPVGVCALVSPWNVPFMTATWKVAPCLALGITAVLKMSELSPLTADRLGELALEAGIPAGVLNVVQGYGATAGDALVRHHDVRAVSFTGGTATGRNIMKNAGLKKYSMELGGKSPVLIFEDADIERALDAALFTIFSINGERCTAGSRIFIQQSIYPEFVKFAERANRVRVGDPTDPNTQVGALISQQHWEKVSGYIRLGIEEGATLLAGGPDKPSDLPAHLKGGNFLRPTVLADVDNRMRVAQEEIFGPVACLLPFKDEAEALRLANDVEYGLASYIWTQDVSKVLRLARGIEAGMVFVNTQFVRDLRHAFGGVKPRTGREGGGYSSKCSRK,O=C/C(=C\C=C(\O)C(=O)O)CC(=O)O,O=C/C(=C\C=C(\O)C(=O)O)CC(=O)O,O=C/C(=C\C=C(\O)C(=O)O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-2.133803120088516,,s_6bbf4cce5f4fd9945a70ab48,test
catpreddb_km_km_fdfacb9e2e3fa0,catpred_iteration1_km,km,A0A229Y8S8,A0A229Y8S8,MGKKAIQFGGGNIGRGFVAEFLHEAGYEVVFIDVVDKIIDALKSTPSYEVTEVSEEGEKTKTITNYRAINSKTNEEDVVKEIGTADVVTCAVGPNVLKFIAPVIAKGIDARTASKPVAVIACENAIGATDTLRGFIEQNTDKDRLSSMSERARFANSAIDRIVPNQPPNAGLNVRIEKFYEWTVEQTPFGEFGHPDIPAIHWVDDLKPYIERKLFTVNTGHATTAYYGHMRGKKMIADALADAEIRQIVHKVLEQTAKLITTKHEITEQEQNEYVDTIVKRMSNPFLEDNVERVGRAPLRKLSRNERFIGPASQLAEKGLPFDALLGSIEMALRFQNVPGDEESAELAKILKEMSAEEATGKLTGLEKHHPLYEPVQNVIAKVQKDSK,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1,N=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>,public_strict_iteration1_fulltrue_msa,,-0.1109243748081781,,s_a6432c9e3ec244d8753afdde,test
catpreddb_km_km_fe034866f94638,catpred_iteration1_km,km,S5N020,S5N020,MRKLAHNFYKPLAIGAPEPIRELPVRPERVVHFFPPHVEKIRARIPEVAKQVDVLCGNLEDAIPMDAKEAARNGFIEVVKATDFGDTALWVRVNALNSPWVLDDIAEIVAAVGNKLDVIMIPKVEGPWDIHFVDQYLALLEARHQIKKPILIHALLETAQGMVNLEEIAGASPRMHGFSLGPADLAASRGMKTTRVGGGHPFYGVLADPQEGQAERPFYQQDLWHYTIARMVDVAVAHGLRAFYGPFGDIKDEAACEAQFRNAFLLGCTGAWSLAPNQIPIAKRVFSPDVNEVLFAKRILEAMPDGSGVAMIDGKMQDDATWKQAKVIVDLARMIAKKDPDLAQAYGL,[NH4+],[NH4+],[NH4+]>>,public_strict_iteration1_fulltrue_msa,,1.380211241711606,,s_1d13a1b883db0606ef1fbe5e,test
catpreddb_km_km_fe0b0a44b04742,catpred_iteration1_km,km,P06621,P06621,MRPSIHRTAIAAVLATAFVAGTALAQKRDNVLFQAATDEQPAVIKTLEKLVNIETGTGDAEGIAAAGNFLEAELKNLGFTVTRSKSAGLVVGDNIVGKIKGRGGKNLLLMSHMDTVYLKGILAKAPFRVEGDKAYGPGIADDKGGNAVILHTLKLLKEYGVRDYGTITVLFNTDEEKGSFGSRDLIQEEAKLADYVLSFEPTSAGDEKLSLGTSGIAYVQVNITGKASHAGAAPELGVNALVEASDLVLRTMNIDDKAKNLRFNWTIAKAGNVSNIIPASATLNADVRYARNEDFDAAMKTLEERAQQKKLPEADVKVIVTRGRPAFNAGEGGKKLVDKAVAYYKEAGGTLGVEERTGGGTDAAYAALSGKPVIESLGLPGFGYHSDKAEYVDISAIPRRLYMAARLIMDLGAGK,Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1,Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1,Nc1nc2ncc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,-2.397940008672037,,s_cca19f92ad8b55dce8e4e7cc,test
catpreddb_km_km_fe1003807654f8,catpred_iteration1_km,km,O52250,O52250,MQTQILERMESDVRTYSRSFPVVFTKARNARLTDEEGREYIDFLAGAGTLNYGHNNPHLKQALLDYIDSDGIVHGLDFWTAAKRDYLETLEEVILKPRGLDYKVHLPGPTGTNAVEAAIRLARVAKGRHNIVSFTNGFHGVTMGALATTGNRKFREATGGVPTQAASFMPFDGYLGSSTDTLDYFEKLLGDKSGGLDVPAAVIVETVQGEGGINVAGLEWLKRLESICRANDILLIIDDIQAGCGRTGKFFSFEHAGITPDIVTNSKSLSGYGLPFAHVLMRPELDKWKPGQYNGTFRGFNLAFATAAAAMRKYWSDDTFERDVQRKARIVEERFGKIAAWLSENGIEASERGRGLMRGIDVGSGDIADKITHQAFENGLIIETSGQDGEVVKCLCPLTIPDEDLVEGLDILETSTKQAFS,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O,N[C@@H](CCC(=O)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.9590413923210936,,s_180c32fe71f69cef4312d55e,test
catpreddb_km_km_fe1ae2fe94f5de,catpred_iteration1_km,km,Q9SCL7,Q9SCL7,MATVTSNASPKSFSFTVSNPFKTLIPNKSPSLCYPTRNKNHHRLGFSIKATVSTPPSIATGNAPSPDYRVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLACVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVGKVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDPSVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILLTDVAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLAQGVKTASIIDGRRQHSLLHEIMSDEGAGTMITG,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.0039846971006206,,s_f50adb24004f25117fc4da7c,test
catpreddb_km_km_fe1d0f16fe7203,catpred_iteration1_km,km,Q05957,Q05957,MAPPNGTTNGETEVATQGSYTAVSTGRKTTMHRLIEEHGSVLMPGVQDALSAAVVEKTGFHAAFVSGYSVSAAMLGLPDFGLLTTTEVVEATRRITAAAPNLCVVVDGDTGGGGPLNVQRFIRELISAGAKGVFLEDQVWPKKCGHMRGKAVVPAEEHALKIAAAREAIGDSDFFLVARTDARAPHGLEEGIRRANLYKEAGADATFVEAPANVDELKEVSAKTKGLRIANMIEGGKTPLHTPEEFKEMGFHLIAHSLTAVYATARALVNIMKILKEKGTTRDDLDQMATFSEFNELISLESWYEMESKFKNFTPKAT,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O,O=C(O)CC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8860566476931633,,s_6dbd2dd810498498c8b82108,test
catpreddb_km_km_fe2847bc39d1d6,catpred_iteration1_km,km,P13686,P13686,MDMWTALLILQALLLPSLADGATPALRFVAVGDWGGVPNAPFHTAREMANAKEIARTVQILGADFILSLGDNFYFTGVQDINDKRFQETFEDVFSDRSLRKVPWYVLAGNHDHLGNVSAQIAYSKISKRWNFPSPFYRLHFKIPQTNVSVAIFMLDTVTLCGNSDDFLSQQPERPRDVKLARTQLSWLKKQLAAAREDYVLVAGHYPVWSIAEHGPTHCLVKQLRPLLATYGVTAYLCGHDHNLQYLQDENGVGYVLSGAGNFMDPSKRHQRKVPNGYLRFHYGTEDSLGGFAYVEISSKEMTVTYIEASGKSLFKTRLPRRARP,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1,Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)n1>>,public_strict_iteration1_fulltrue_msa,,-0.4236586497942071,,s_5475b6e98819e24b4cfe0943,test
catpreddb_km_km_fe305dd2628cb8,catpred_iteration1_km,km,Q92058,Q92058,MKAFLLTLLAQLCSASLVPEREKDPEYWRQQAQETLRDALRLQHLNQNVAKNLILFLGDGMGVSTVTAARILKGQLQHRKGEESLLEMDKFPYVALAKTYNTNAQVPDSAGTATAYLCGVKANEGTVGVSAGVTRDRCNTTKGQEVTSILRWAKDEGKAVGIVTTTRVTHATPSAAYAHSANRDWYSDGEMPLDALEGGCKDIARQLVDNIPDIEVILGGGRKYMFPKNTSDVEYPQEERHRGTRLDGKDLVQAWHDTKPAGKVAKYVWHRRELLALNVSRVDFLLGLFEPGDMVYELDRNNETDPSLSEMVAVAIRMLQKNPRGFFLLVEGGRIDHGHHEGKAKQALHEAVELDRAVGLAGRLTSPRDTLSVVTADHSHVFTFGGYTPRGNPIFGLAPMQSDVDRKPFTSILYGNGPGYKIVGGERENVSAVDFAHANYQAQAAVPLRQETHGGEDVAVFARGPMAHLLHGVDEQNYIPHAMAYAACIGPNRAHCSSAARPAATATLLPVLLLLLLLC,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1,O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1>>,public_strict_iteration1_fulltrue_msa,,-6.455931955649724,,s_0683a618692b5e6ac665095e,test
catpreddb_km_km_fe35c6f625209b,catpred_iteration1_km,km,P42785,P42785,MGRRALLLLLLSFLAPWATIALRPALRALGSLHLPTNPTSLPAVAKNYSVLYFQQKVDHFGFNTVKTFNQRYLVADKYWKKNGGSILFYTGNEGDIIWFCNNTGFMWDVAEELKAMLVFAEHRYYGESLPFGDNSFKDSRHLNFLTSEQALADFAELIKHLKRTIPGAENQPVIAIGGSYGGMLAAWFRMKYPHMVVGALAASAPIWQFEDLVPCGVFMKIVTTDFRKSGPHCSESIHRSWDAINRLSNTGSGLQWLTGALHLCSPLTSQDIQHLKDWISETWVNLAMVDYPYASNFLQPLPAWPIKVVCQYLKNPNVSDSLLLQNIFQALNVYYNYSGQVKCLNISETATSSLGTLGWSYQACTEVVMPFCTNGVDDMFEPHSWNLKELSDDCFQQWGVRPRPSWITTMYGGKNISSHTNIVFSNGELDPWSGGGVTKDITDTLVAVTISEGAHHLDLRTKNALDPMSVLLARSLEVRHMKNWIRDFYDSAGKQH,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,0.4357864677729394,,s_8b3636c2da078c826d1a1418,test
catpreddb_km_km_fe3d09c5a73763,catpred_iteration1_km,km,P42676,P42676,MITLCLSTLRGLHRAGGSRLQLTMTLGKELASPLQAMSSYTAAGRNVLRWDLSPEQIKTRTEQLIAQTKQVYDTVGTIALKEVTYENCLQVLADIEVTYIVERTMLDFPQHVSSDREVRAASTEADKKLSRFDIEMSMREDVFQRIVHLQETCDLEKIKPEARRYLEKSIKMGKRNGLHLSEHIRNEIKSMKKRMSELCIDFNKNLNEDDTSLVFSKAELGALPDDFIDSLEKTDEDKYKVTLKYPHYFPVMKKCCVPETRRKMEMAFHTRCKQENTAILQQLLPLRAQVAKLLGYNTHADFVLELNTAKSTSRVAAFLDDLSQKLKPLGEAEREFILSLKKKECEERGFEYDGKINAWDLHYYMTQTEELKYSVDQESLKEYFPIEVVTEGLLSIYQELLGLSFEQVPDAHVWNKSVSLYTVKDKATGEVLGQFYLDLYPREGKYNHAACFGLQPGCLLPDGSRMMSVAALVVNFSQPVAGRPSLLRHDEVRTYFHEFGHVMHQICAQTDFARFSGTNVETDFVEVPSQMLENWVWDVDSLRKLSKHYKDGHPITDELLEKLVASRLVNTGLLTLRQIVLSKVDQSLHTNATLDAASEYAKYCTEILGVAATPGTNMPATFGHLAGGYDGQYYGYLWSEVFSMDMFHSCFKKEGIMNPEVGMKYRNLILKPGGSLDGMDMLQNFLQREPNQKAFLMSRGLNGS,N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],N=C(O)CC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@H](CO)N=C(O)[C@H](Cc1ccccc1)N=C(O)CN=C(O)c1ccccc1N)C(O)=NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.8239087409443187,,s_8f60a90eb8e59b7da79cfeb4,test
catpreddb_km_km_fe3fb1978ede6b,catpred_iteration1_km,km,Q8GIW8,Q8GIW8,MKKLFVLCIFLFLSITASGEVLPDLKIEKLEEGVYLHTSFEEVSGWGVVTKHGLVVLVNNDAYLIDTPFTNKDTEKLVAWFVGRGFTIKGSVSSHFHSDSTGGIEWLNSQSIPTYASELTNELLKKNGKVQATNSFSGVSYWLVKNKIEIFYPGPGHTQDNVVVWLPENKILFGGCFVKPDGLGNLDDANLKAWPKSAKILMSKYGKAKLVVSGHSEIGNASLLKLTWEQAVKGLKESKKPLLPSN,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12,CC1=C(SCCNC=N)C[C@@H]2[C@@H]([C@@H](C)O)C(C(=O)O)N12>>,public_strict_iteration1_fulltrue_msa,,-0.0362121726544447,,s_731307d31ab453cb17afec38,test
catpreddb_km_km_fe4d1d063cf138,catpred_iteration1_km,km,Q9FNT6,Q9FNT6,MIPYAAGVIVPLALTLLVRNAKKDKKRGVVVDDVGGEPGHTVRNHRFKDPVSSHWEDISTLPELFEISCKSHSDRFFLGTRRLIAREVETSEDGKVFEKLHLGDYEWKTFGETLEAVCSFASGLVQIGHKSEERVAIFADTREEWFIALQGCFRRNVTVVTIYSSLGEEALCHSLNETEVTTVICGNKELKKLMDISQQLETVKRVICMDDEFPSEASSTWTTTSLADVQKLGRESPVDPSFPLSADVAVIMYTSGSTGLPKGVMMTHGNVLATVSAVMTIVPDLGKRDTYMAYLPLAHILELAAESVMATIGSAIGYGSPLTLTDTSNKIKKGTKGDVTALKPTIMTAVPAILDRVRDGVRKKVDAKGGAAKKLFDFAYARRLSAINGSWFGAWGLEKLLWDVLVFGKIRAVLGGQLRYLLSGGAPLSGDTQRFINICVGAPIGQGYGLTETCAGGTFSEFDDTSVGRVGAPLPCSFVKLIDWPEGGYLISDKPMPRGEIVIGGSNITLGYFKNEEKTKEVYKVDEKGMRWFYTGDIGQFHPDGCLEIIDRKKDIVKLQHGEYVSLGKVEAALSISPYVENIMVHADPFYSYCVALVVAAQQTLEGWASKQGIEFTNFEELCAKEQPVKEVYASLVKAAKQSRLEKFEIPAKIKVLAAPWTPESGLVTAALKLKRDVIRKEFSEDLTKLYAS,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)[O-],CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)[O-],CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)[O-]>>,public_strict_iteration1_fulltrue_msa,,-2.0457574905606752,,s_4f592c4ca04f0f68af009366,test
catpreddb_km_km_fe630865dd4e15,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1,CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1cc(O)cc(O)c1>>,public_strict_iteration1_fulltrue_msa,,-1.6020599913279625,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_fe79572ed6147a,catpred_iteration1_km,km,Q13572,Q13572,MQTFLKGKRVGYWLSEKKIKKLNFQAFAELCRKRGMEVVQLNLSRPIEEQGPLDVIIHKLTDVILEADQNDSQSLELVHRFQEYIDAHPETIVLDPLPAIRTLLDRSKSYELIRKIEAYMEDDRICSPPFMELTSLCGDDTMRLLEKNGLTFPFICKTRVAHGTNSHEMAIVFNQEGLNAIQPPCVVQNFINHNAVLYKVFVVGESYTVVQRPSLKNFSAGTSDRESIFFNSHNVSKPESSSVLTELDKIEGVFERPSDEVIRELSRALRQALGVSLFGIDIIINNQTGQHAVIDINAFPGYEGVSEFFTDLLNHIATVLQGQSTAMAATGDVALLRHSKLLAEPAGGLVGERTCSASPGCCGSMMGQDAPWKAEADAGGTAKLPHQRLGCNAGVSPSFQQHCVASLATKASSQ,O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-3.522878745280338,,s_d09cb30f5f82458f11cec8b0,test
catpreddb_km_km_fe7eca9ad82cb8,catpred_iteration1_km,km,Q4ZHU6,Q4ZHU6,MSEDAGLPVPRSQWVERSVSCATCGKRFSLFTAKSNCPCCGKLCCSDCVQAECAIVGGSAPSKVCIDCFSMLQSRRRVEPDEGSSFREFNAASAFPLQTRLLADGRVESGETSRVSPPNDGRVQHFSRANGYSNSLPVLDEYVDDLLRKSELLRMENDVLLNRLREQEAEIQALRLERDRAVARIVPDGGSMAGRSGTPQVSDEIVKELREELAVAHLRIESVEGELKNALDRAKSSETVVKNLKQHLCNYKEEVVRLLQSREEVEMLPGVSGHRDMISTRRLPPSIVQDTILAVVPPKSCAAIGTDVDLRDWGFDTFEVASRVPSVLQSVAMHVALAWDFFASQEEAQKWAFLVAAVENNYRPNPYHNAIHAADVLQGTFSLVSAAKPLMEHLTPLECKAAAFAALTHDVCHPGRTNAFLAAVQDPVSFKFSGKGTLEQLHTVTAFELLNVTEFDFTSSMDNASFLEFKNIVSHLIGHTDMSLHSETIAKHGAKLSAGGFDCTCKEDRLEALSLLLHAADIGASSRGVAIARKWLVILQEFADQAEDERRRGLPVTPGFDTPSSVEKSQIPFLDFFVIPTFDLLHQLFPSIEEPLHNLRKLRELYAAKAGVTTPFPPPVDYRSREERIRSLEAELAYFRRREEEFHRQLQELRTASENENKSSAAPMTREGALNKQSQLVCRGEGNMNADWADAGGGFRNGKDVRDLQDVSMDHLVSSKTVESDTGDSRPRSRRGSKAETTKAYERNLGEREAALMATARLMENREKRLAVLSEKLAEIAEGLHEERKRLKPMEEFKTPCFSRETELISEESASMDVTHRFSTQWEAEGRLARKYRELDELLLIVRAMRMGYAARRNTHLGWKALSATLAEREAAITEAVELSRQRRRHLEEGRGLHPTATQLDRLENAIFQLMSATTLLTQC,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.6989700043360187,,s_b9bc12cfc7f7118c7b26a8bd,test
catpreddb_km_km_fe8227648aa5a5,catpred_iteration1_km,km,O33194,O33194,MKSIAQEHDCLLIDLDGTVFCGRQPTGGAVQSLSQVRSRKLFVTNNASRSADEVAAHLCELGFTATGEDVVTSAQSAAHLLAGQLAPGARVLIVGTEALANEVAAVGLRPVRRFEDRPDAVVQGLSMTTGWSDLAEAALAIRAGALWVAANVDPTLPTERGLLPGNGSMVAALRTATGMDPRVAGKPAPALMTEAVARGDFRAALVVGDRLDTDIEGANAAGLPSLMVLTGVNSAWDAVYAEPVRRPTYIGHDLRSLHQDSKLLAVAPQPGWQIDVGGGAVTVCANGDVDDLEFIDDGLSIVRAVASAVWEARAADLHQRPLRIEAGDERARAALQRWSLMRSDHPVTSVGTQ,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO,O=P(O)(O)OC(CO)CO>>,public_strict_iteration1_fulltrue_msa,,0.3031960574204888,,s_38095aa1b1ee0421254bd92b,test
catpreddb_km_km_fea69aa7f5247c,catpred_iteration1_km,km,P08337,P08337,MKKLQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRELQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGEWMSLVGLNADDFPPANEPVIAKLKRL,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1,Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.0,,s_aaebcfcd8fbd82457f3b8d54,test
catpreddb_km_km_feb2b95540fdcb,catpred_iteration1_km,km,Q562C4,Q562C4,MDVLVPLLQLLVLLLTLPLHLLALLGCWQPICKTYFPYLMATLTARSYKKMESKKRELFSQIKDLKGTSNEVTLLELGCGTGANFQFYPPGCKVTCVDPNPNFEKFLTKSMAENRHLQYERFIVAYGENMKQLADSSMDVVVCTLVLCSVQSPRKVLQEVQRVLKPGGLLFFWEHVSEPQGSQALLWQRVLEPTWKHIGDGCHLTRETWKDIEKAQFSEVQLEWQPPPFKWLPVGPHIMGKAVK,Sc1ccccc1,Sc1ccccc1,Sc1ccccc1>>,public_strict_iteration1_fulltrue_msa,,-2.958607314841775,,s_710620f2135d07cdb7d3da53,test
catpreddb_km_km_fecd5c4e5cce36,catpred_iteration1_km,km,B6EKJ5,B6EKJ5,MNIFAILNHSGVFFKEEPVRELHASLEKAGYKVVYPVDAQDLYKMVEMNPRICGVLFDWDKYSLDLCTEINVLNEKLPLYAFANQHSTLDISLTDLRLNLHFFEYALGMADDIALKINQATEEYIDQIMPPFTKALFKYVEEGKYTFCTPGHMGGTAFQKSPAGSIFYDFYGPNAFKADVSISMPELGSLLDHSGPHKEAEEYIARTFNADSSYIVTNGTSTSNKIVGMFSAPAGSTVLVDRNCHKSLTHMMMMSDVTPIYFRPTRNAYGILGGIPQSEFTREVIEAKVAATPNATMPGYAVITNSTYDGLLYNTQYIKETLDTKFIHFDSAWVPYTNFNSIYEGKCGMSGEAMPGKVFYETQSTHKLLAAFSQASMIHVKGEFDKESFNEAFMMHTSTSPQYGIVASTEIAAAMMRGNTGKKLIQDSIDRAIRFRKEIKRLESESDSWFFDVWQPENIDTTECWKLDPKDTWHGFKDIDDDHMYLDPIKVTLLTPGMNENSEMSETGIPASIVAKYLDEHGIVVEKTGPYNLLFLFSIGIDKSKAMQLLRALTDFKRGYDLNLTVKNFLPSLYNEDPSFYEGMRIQELAQGIHDLTRQYRLPELMFKAFDVLPELKVTPHAAWQEELRGNVEEVKLEEMVGRVSANMILPYPPGVPLVLPGEMVTTESRPVLDFLEMLCAIGAHYPGFETDIHGVYAQKDGSYTVKVLKED,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O,NCCCC[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.0362121726544447,,s_d7fa7cc40f3d02c5b2cc1fd4,test
catpreddb_km_km_fecde4e0b071b4,catpred_iteration1_km,km,O32472,O32472,MSAQSLEVGQKARLSKRFGAAEVAAFAALSEDFNPLHLDPAFAATTAFERPIVHGMLLASLFSGLLGQQLPGKGSIYLGQSLSFKLPVFVGDEVTAEVEVTALREDKPIATLTTRIFTQGGALAVTGEAVVKLP,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,CCCCCCC/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.3767507096020994,,s_301abf09a5187e80a50562ca,test
catpreddb_km_km_fed0f500a98a1f,catpred_iteration1_km,km,J7MBS9,J7MBS9,MDPKHQRAALNDGHSIPVLGLGTYAPDAVPKSEAGEATKIAIDVGYRHIDSSHAYQNEEEVGLAIRSKIADGTVKREDVFYTSKLWCTFFRPELVRTGLEQSLKKLQLDYVDLYLMHFPVAMKPGKELYPKDEQGKIILDIVDICATWEAMEKCRDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYLNQSKLLDFCKSIDVVLVAYGALGSSRDPKWVDQSYPVLLEDPVICALAKKHKRSPALIALRYQLQRGVVVLAKSFIEKEIKENIQVFEFQLSSEDMKALDGLNKNLRYYPADIFIGYPNYPFSDEY,O[C@@H]1C=CC=C[C@@H]1O,O[C@@H]1C=CC=C[C@@H]1O,O[C@@H]1C=CC=C[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_a6ad86cad357451370c6681c,test
catpreddb_km_km_fed784805b35ef,catpred_iteration1_km,km,P53204,P53204,MDPTKAPDFKPPQPNEELQPPPDPTHTIPKSGPIVPYVLADYNSSIDAPFNLDIYKTLSSRKKNANSSNRMDHIPLNTSDFQPLSRDVSSEEESEGQSNGIDATLQDVTMTGNLGVLKSQIADLEEVPHTIVRQARTIEDYEFPVHRLTKKLQDPEKLPLIIVACGSFSPITYLHLRMFEMALDDINEQTRFEVVGGYFSPVSDNYQKRGLAPAYHRVRMCELACERTSSWLMVDAWESLQSSYTRTAKVLDHFNHEINIKRGGIMTVDGEKMGVKIMLLAGGDLIESMGEPHVWADSDLHHILGNYGCLIVERTGSDVRSFLLSHDIMYEHRRNILIIKQLIYNDISSTKVRLFIRRGMSVQYLLPNSVIRYIQEYNLYINQSEPVKQVLDSKE,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-1.080921907623926,,s_7a4d4f1a05eeb9ea0a9d1ef8,test
catpreddb_km_km_feee992f288b65,catpred_iteration1_km,km,P0A9T0,P0A9T0,MAKVSLEKDKIKFLLVEGVHQKALESLRAAGYTNIEFHKGALDDEQLKESIRDAHFIGLRSRTHLTEDVINAAEKLVAIGCFCIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHRGVWNKLAAGSFEARGKKLGIIGYGHIGTQLGILAESLGMYVYFYDIENKLPLGNATQVQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALCDALASKHLAGAAIDVFPTEPATNSDPFTSPLCEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHGGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDIEADEDVAEKALQAMKAIPGTIRARLLY,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O,O=C(O)CCC(=O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,-0.8192740473081063,,s_b24bb1ddbe84e9330f6a1c84,test
catpreddb_km_km_feef72bcf8d4a7,catpred_iteration1_km,km,P17178,P17178,MAVLSRMRLRWALLDTRVMGHGLCPQGARAKAAIPAALRDHESTEGPGTGQDRPRLRSLAELPGPGTLRFLFQLFLRGYVLHLHELQALNKAKYGPMWTTTFGTRTNVNLASAPLLEQVMRQEGKYPIRDSMEQWKEHRDHKGLSYGIFITQGQQWYHLRHSLNQRMLKPAEAALYTDALNEVISDFIARLDQVRTESASGDQVPDVAHLLYHLALEAICYILFEKRVGCLEPSIPEDTATFIRSVGLMFKNSVYVTFLPKWSRPLLPFWKRYMNNWDNIFSFGEKMIHQKVQEIEAQLQAAGPDGVQVSGYLHFLLTKELLSPQETVGTFPELILAGVDTTSNTLTWALYHLSKNPEIQEALHKEVTGVVPFGKVPQNKDFAHMPLLKAVIKETLRLYPVVPTNSRIITEKETEINGFLFPKNTQFVLCHYVVSRDPSVFPEPESFQPHRWLRKREDDNSGIQHPFGSVPFGYGVRSCLGRRIAELEMQLLLSRLIQKYEVVLSPGMGEVKSVSRIVLVPSKKVSLRFLQRQ,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.0,,s_3f380f88a54b8c0bed83425a,test
catpreddb_km_km_ff0e585b47e147,catpred_iteration1_km,km,P69451,P69451,MKKVWLNRYPADVPTEINPDRYQSLVDMFEQSVARYADQPAFVNMGEVMTFRKLEERSRAFAAYLQQGLGLKKGDRVALMMPNLLQYPVALFGILRAGMIVVNVNPLYTPRELEHQLNDSGASAIVIVSNFAHTLEKVVDKTAVQHVILTRMGDQLSTAKGTVVNFVVKYIKRLVPKYHLPDAISFRSALHNGYRMQYVKPELVPEDLAFLQYTGGTTGVAKGAMLTHRNMLANLEQVNATYGPLLHPGKELVVTALPLYHIFALTINCLLFIELGGQNLLITNPRDIPGLVKELAKYPFTAITGVNTLFNALLNNKEFQQLDFSSLHLSAGGGMPVQQVVAERWVKLTGQYLLEGYGLTECAPLVSVNPYDIDYHSGSIGLPVPSTEAKLVDDDDNEVPPGQPGELCVKGPQVMLGYWQRPDATDEIIKNGWLHTGDIAVMDEEGFLRIVDRKKDMILVSGFNVYPNEIEDVVMQHPGVQEVAAVGVPSGSSGEAVKIFVVKKDPSLTEESLVTFCRRQLTGYKVPKLVEFRDELPKSNVGKILRRELRDEARGKVDNKA,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O,Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,-1.461525349038019,,s_87504ba8fe2f6804438a83a2,test
catpreddb_km_km_ff12c45ab356a4,catpred_iteration1_km,km,B9K7M6,B9K7M6,MKFGYFDDKNREYVIVTPRTPYPWINYLGTEDFFSIISHMAGGYCFYKDARLRRITRFRYNNVPTDAGGRYFYIREEDGDFWSPTWMPVRRDLSFFEARHGLGYTKIAGERNGLRATITFFVPRHFTGEVHHLVLQNRTERPRRIKLFSFIEFCLWNALDDMTNFQRNYSTGEVEIEGSVIYHKTEYRERRNHYAFYSVNHSIDGFDTDRESFMGLYNGFEAPQAVVEGNPRNSVASGWAPIASHYLELEIPPLGEKELIFILGYVENPEEEKWERPGVINKKRAKEMIERFKTGEDVERALKELKEYWDELLGRIQVETHDEKLNRMVNIWNQYQCMVTFNIARSASYFESGISRGIGFRDSNQDILGFVHMIPEKARQRILDLASIQFEDGSTYHQFQPLTKKGNNEIGGGFNDDPLWLILSTSAYIKETGDWSILNEEVPFDNDPDKKATLFEHLKRSFYFTVNNLGPHGLPLIGRADWNDCLNLNCFSKNPDESFQTTVNALDGRVAESVFIAGLFVLAGKEFVEICRRLGLEDEAKEAEKHVKKMIETTLEYGWDGEWFLRAYDAFGRKVGSKECEEGKIFIEPQGMCVMAGIGVENGYAKKALDSVKEHLDTPYGLVLQQPAYSRYYIELGEISSYPPGYKENAGIFCHNNPWVAIAETVIGRGDRAFEIYRKITPAYLEDISEIHRTEPYVYAQMVAGKDAPRHGEAKNSWLTGTAAWSFVAITQYILGVRPTYDGLMVDPCIPEDWDGFKITRRFRGATYEITVKNPHHVSKGVKEIIVDGKKIEGQVLPVFNDGKVHRVEVLMG,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O,OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O>>,public_strict_iteration1_fulltrue_msa,,0.1522883443830564,,s_ac9c32f9d1e8a1bf38f93288,test
catpreddb_km_km_ff25f373391572,catpred_iteration1_km,km,U5KGX4,U5KGX4,ASGNPAAGKPWHWKSPKPLVDPRIHVNATPRIVGGVEATPHSWPHQAALFIDDMYFCGGSLISSEWVLTAAHCMDGAGFVEVVLGAHNIRQNEASQVSIISTNFFTHENWNSWLLTNDIALIKLPSPVSLNSNIKTVRLPSSDVSVGTTVTPTGWGRPSDSASGISDVLRQVNVPIMTNADCDSVYGIVGDGVVCIDGAGGKSTCNGDSGGPLNLNGMTYGITSFGSSAGCEVGYPAAFTRVHYYLDWIKQKTGVTP,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1,C[C@H](N=C(O)[C@H](C)N=C(O)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1>>,public_strict_iteration1_fulltrue_msa,,-0.9208187539523752,,s_78e2e88530c02d81627ea520,test
catpreddb_km_km_ff311ca0ab1585,catpred_iteration1_km,km,A0A6A5Q0M3,A0A6A5Q0M3,MGSDRSCVLSVFQTILKLVIFVAIFGAAISSRLFAVIKFESIIHEFDPWFNYRATKYLVNNSFYKFLNWFDDRTWYPLGRVTGGTLYPGLMTTSAFIWHALRNWLGLPIDIRNVCVLFAPLFSGVTAWATYEFTKEIKDASAGLLAAGFIAIVPGYISRSVAGSYDNEAIAITLLMVTFMFWIKAQKTGSIMHATCAALFYFYMVSAWGGYVFITNLIPLHVFLLILMGRYSSKLYSAYTTWYAIGTVASMQIPFVGFLPIRSNDHMAALGVFGLIQIVAFGDFVKGQISTAKFKVIMMVSLFLILVLGVVGLSALTYMGLIAPWTGRFYSLWDTNYAKIHIPIIASVSEHQPVSWPAFFFDTHFLIWLFPAGVFLLFLDLKDEHVFVIAYSVLCSYFAGVMVRLMLTLTPVICVSAAVALSKIFDIYLDFKTSDRKYAIKPAALLAKLIVSGSFIFYLYLFVFHSTWVTRTAYSSPSVVLPSQTPDGKLALIDDFREAYYWLRMNSDEDSKVAAWWDYGYQIGGMADRTTLVDNNTWNNTHIAIVGKAMASPEEKSYEILKEHDVDYVLVIFGGLIGFGGDDINKFLWMIRISEGIWPEEIKERDFYTAEGEYRVDARASETMRNSLLYKMSYKDFPQLFNGGQATDRVRQQMITPLDVPPLDYFDEVFTSENWMVRIYQLKKDDAQGRTLRDVGELTRSSTKTRRSIKRPELGLRV,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CCC(C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2N=C(C)O)[C@H](O)[C@H]1N=C(C)O>>,public_strict_iteration1_fulltrue_msa,,-2.489405350465031,,s_942b39c1db7ad79494e440b9,test
catpreddb_km_km_ff411940b98083,catpred_iteration1_km,km,P0A796,P0A796,MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,N=c1nc(O)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>,public_strict_iteration1_fulltrue_msa,,0.6334684555795865,,s_b3f55c0dc962540433caeabb,test
catpreddb_km_km_ff4649eeb52a74,catpred_iteration1_km,km,Q8YWS9,Q8YWS9,MKTPPINQKSLRETESWKLLESSIIYYEGNPIGTVAAQDPELAALNYDQCFLRDFVPSAFVFLMDGQTDIVRNFLIETLTLQSHEKEMDCFQPGAGLMPASFKVESDGSKEYLVADFGEKAIARVPPVDSCMWWILLLRAYEKATGDLTLAREPKFQAGIKLILDLCLAHRFSMYPTMLVPDGAFMIDRRMGVYEHPLEIQVLFYAALRAARELLLPDGDGEQYLNKVHGRLGALQYHIRNYYWVDLKRLREIYRYKGNEFGKEIANKFNIFSQSIPDWVIEWLPEKGGYLAGNLGPGRMDFRFFALGNLMAILAGLASEEESQRIMNLFAHRWEDLIGYMPVKICYPALQGLEWQIVTGCDPKNIPWSYHNGGNWPVLLWLFTAAALKTGKVELAHEAIAIAEGRLSNDKFPEYYDGNNGRLIGKEARIYQTWSIAGLLVAKQFLANPDHVEFISFPDTFIGPGCSL,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>,public_strict_iteration1_fulltrue_msa,,1.402600855219974,,s_a0fb7a77aab45d8fcb52ca9f,test
catpreddb_km_km_ff54af40bdb389,catpred_iteration1_km,km,Q9NPJ3,Q9NPJ3,MTSMTQSLREVIKAMTKARNFERVLGKITLVSAAPGKVICEMKVEEEHTNAIGTLHGGLTATLVDNISTMALLCTERGAPGVSVDMNITYMSPAKLGEDIVITAHVLKQGKTLAFTSVDLTNKATGKLIAQGRHTKHLGN,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O,C/C=C/C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>,public_strict_iteration1_fulltrue_msa,,-0.7011524070372439,,s_3815d87fffe41700f4ce4a06,test
catpreddb_km_km_ff57e4af524aa0,catpred_iteration1_km,km,P54550,P54550,MARKLFTPITIKDMTLKNRIVMSPMCMYSSHEKDGKLTPFHMAHYISRAIGQVGLIIVEASAVNPQGRITDQDLGIWSDEHIEGFAKLTEQVKEQGSKIGIQLAHAGRKAELEGDIFAPSAIAFDEQSATPVEMSAEKVKETVQEFKQAAARAKEAGFDVIEIHAAHGYLIHEFLSPLSNHRTDEYGGSPENRYRFLREIIDEVKQVWDGPLFVRVSASDYTDKGLDIADHIGFAKWMKEQGVDLIDCSSGALVHADINVFPGYQVSFAEKIREQADMATGAVGMITDGSMAEEILQNGRADLIFIGRELLRDPFFARTAAKQLNTEIPAPVQYERGW,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1,N=C(O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>,public_strict_iteration1_fulltrue_msa,,-1.2313618987523856,,s_90e011f583a7e645dd8b2ab4,test
catpreddb_km_km_ff5ca2161ac2bd,catpred_iteration1_km,km,M9W6G9,M9W6G9,MEHIEAEHPRPRHFLLHLSDPHLMGGPDPLYGVVDSEARLIQLFEEVKASGARPEAVIFTGDLADKGDPEAYVKLRAIVDPACEELGAKVIWAMGNHDNRANFRTGLLDEPADDGPVDKSYFINGLRVITMDTTVPGYHHGELSTSQLEWLTRQLDTPAPDGTILALHHPPVPSVLDLSVLVELRDQASLEAVVRNSDVRTILAGHLHYSTTASFAGIPVSVASASCYTQDLNVPIGGTRGQDGGQSFNLVHVYEHTIVHSVVPMGRSTTVGEYVSPEETKRRLDAAGVRIPESAKQRSSAKLGLPTSR,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,0.8337843746564789,,s_0cc18e54a2115891357e99cb,test
catpreddb_km_km_ff5f3b6e64111d,catpred_iteration1_km,km,Q02567,Q02567,MAFKSLIAFVALAAAVRAAPTAVCPDGTRVSHAACCAFIPLAQDLQETIFQNECGEDAHEVIRLTFHDAIAISRSQGPKAGGGADGSMLLFPTVEPNFSANNGIDDSVNNLIPFMQKHNTISAADLVQFAGAVALSNCPGAPRLEFLAGRPNKTIAAVDGLIPEPQDSVTKILQRFEDAGGFTPFEVVSLLASHSVARADKVDQTIDAAPFDSTPFTFDTQVFLEVLLKGVGFPGSANNTGEVASPLPLGSGSDTGEMRLQSDFALAHDPRTACIWQGFVNEQAFMAASFRAAMSKLAVLGHNRNSLIDCSDVVPVPKPATGQPAMFPASTGPQDLELSCPSERFPTLTTQPGASQSLIAHCPDGSMSCPGVQFNGPA,OO,OO,OO>>,public_strict_iteration1_fulltrue_msa,,-1.259637310505756,,s_b994a3b9aa22f2c21cb44923,test
catpreddb_km_km_ff63ab289a7ef9,catpred_iteration1_km,km,A0A1C3HPQ1,A0A1C3HPQ1,MSPQTETKASVGFKAGVKEYKLTYYTPEYETKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVPGEETQFIAYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALAALRLEDLRIPPAYTKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFLFCAEAIYKSQAETGEIKGHYLNATAGTCEEMIKRAVFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIHAGTVVGKLEGDRESTLGFVDLLRDDYVEKDRSRGIFFTQDWVSLPGVLPVASGGIHVWHMPALTEIFGDDSVLQFGGGTLGHPWGNAPGAVANRVALEACVQARNEGRDLAVEGNEIIREACKWSPELAAACEVWK,O=C=O,O=C=O,O=C=O>>,public_strict_iteration1_fulltrue_msa,,-1.749579997691106,,s_afbe39a3e498859a16a86df9,test
catpreddb_km_km_ff6698b163128d,catpred_iteration1_km,km,B0ZB56,B0ZB56,MELARNDQTEAALRGEANVWKSINGIADFMVMKCALELRIPDIVHSHSAPITLAQIASSVPDSPSLNLSYLSRIMRLLVRRKIFSQHKSLDGEEVLYGPTHSSRLLLSKTTLPDQVTLAPFVAFMTHPYLSAPWSCLARCVKEGGNGFEMVHGGRQLWDLSPGNPEFNKVFNDGMASTARITTMAILSEYRDVFCGICSLVDVGGEFGGSISAIVKSHPHIKGINYDLPHVVATAPTYTGLVSHVGGNMFEWIPTAVAVFMKWILHDWADEDCVKILKNCRRAMPEKGGKIIIVDIVLEPEGNGLFDDAAVMLDIALMALTRGKERTEKEWKRVLEEGGFPRYQILKIPALTSVIEAYPQ,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1>>,public_strict_iteration1_fulltrue_msa,,-1.7212463990471711,,s_326aeb57bc380be7a0794e2a,test
catpreddb_km_km_ff6c0201ef2850,catpred_iteration1_km,km,P09237,P09237,MRLTVLCAVCLLPGSLALPLPQEAGGMSELQWEQAQDYLKRFYLYDSETKNANSLEAKLKEMQKFFGLPITGMLNSRVIEIMQKPRCGVPDVAEYSLFPNSPKWTSKVVTYRIVSYTRDLPHITVDRLVSKALNMWGKEIPLHFRKVVWGTADIMIGFARGAHGDSYPFDGPGNTLAHAFAPGTGLGGDAHFDEDERWTDGSSLGINFLYAATHELGHSLGMGHSSDPNAVMYPTYGNGDPQNFKLSQDDIKGIQKLYGKRSNSRKK,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O,CC(C)C[C@H](N=C(O)CN=C(O)[C@H](CCC(=N)O)N=C(O)[C@@H]1CCCN1C(=O)CN)C(O)=N[C@@H](C)C(O)=NCC(O)=N[C@@H](CCC(=N)O)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8633228601204559,,s_0979d0f16275fb9831c00369,test
catpreddb_km_km_ff7247c48a0dd6,catpred_iteration1_km,km,Q5GTD5,Q5GTD5,MFITFEGIDGSGKTIQSELLANYFKQIHGENNMVLTREPGGTDFAEKVRGILLKDSIDPVSELLLLISMRYEHVKKVILPALKKGKIVICDRFIDSTIAYQGYGLGVDLELIRDLHKLVKIKYPDTTFILDIDVQIGLSRAMDKNKYEEMNISFYNKVRKGFQEIAINEPDRCSIITEIEAKDNNQVHVEIVNKVTATKPVLLRK,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O>>,public_strict_iteration1_fulltrue_msa,,-1.7695510786217257,,s_11e432ec5fde510c2ee9b49e,test
catpreddb_km_km_ff7fd8a521fdbc,catpred_iteration1_km,km,Q6R0J2,Q6R0J2,MHFMKKYLLPILVLFLAYYYYSTKEEFRPEMLQGKKVIVTGASKGIGREMAYHLSEMGAHVVLTARSEEGLQKVASRCLELGAASAHYIAGTMEDMTFAEQFVLKAGKLMGGLDMLILNHITYTSMNFFRDEIHALRKAMEVNFISYVVMSVAALPMLKQSNGSIVVVSSIAGKMAHPLVASYSASKFALDGFFSSLRREHGVTNVNVSITLCVLGLINTETAMKATSGVFNAPASPKEECALEIIKGGALRQEEVYYDSWSWTPILLGNPGRKIMEFLSMKSFTFDKLISS,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO>>,public_strict_iteration1_fulltrue_msa,,-2.494850021680094,,s_55d08dc1e97ef90a8c23bae7,test
catpreddb_km_km_ff8195fa8c1afb,catpred_iteration1_km,km,B0LDU5,B0LDU5,MVTVEEVRKAQRAEGPATVLAIGTATPPNCVGQSTYPDYYFRITNSEHKIELKQKFQRMCDKSMIKKRYMYLTEEILKENPSMCEYMAPSLDARQDMVIVEIPKLGKEAATKAIKEWGQPKSKITHLVFCTTSGVDMPGADYQLIKLFGLRPSVKRLMMYQQGCFAGGTVLRLAKDLAENNRGARVLVVCSEITVVTFRGPSDTHLDCLVGQALFGDGVASIIVGADPLPEIEKPLFELVSAAQTILPDSEGAIEGHLREVGLTFHLLENVPALISKNIEKSLNETFKPLDIMDWNSLFWIAHPGGPAILDQVEAKLGLKPEKLEATGHILSEYGNMSSACVLFILDVVRRKSAANGVTTRILSIGQISKSLLILAWFLFSLV,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)=NCCC(O)=NCCSC(=O)CC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-3.0,,s_c70757d066b9511fe5edfd63,test
catpreddb_km_km_ff9a8ec3784dc2,catpred_iteration1_km,km,Q2PW34,Q2PW34,MGGWAIAVHGGAGVDPNLPPQRQEQAKQLLTRCLNLGISSLRSNASALDVVELVVRELETDPLFNSGRGSALTDKGTVEMEASIMDGSNRRCGAVSGLTTVKNPVSLARLVMDKSPHSYLAFNGAEEFARQQGVDVVENEYFVTPENVGMLKLAKEANTILFDYRIPTVGYDSCGAGAESPLQMNGLPISVYAPETVGCVVVDKEGRCAAATSTGGLMNKMSGRIGDSPLIGAGTYACGVCGVSCTGEGEAIIRGTLAREVAAVMEYKGLQLQEAVDFVINHRLDEGKAGLIAVSNTGEVAYGFNCNAMFRGCATEDGFMVVGIWE,N=C(O)C[C@H](N)C(=O)O,N=C(O)C[C@H](N)C(=O)O,N=C(O)C[C@H](N)C(=O)O>>,public_strict_iteration1_fulltrue_msa,,0.8273692730538252,,s_e063ea3edfddbfb512c9fb1d,test
catpreddb_km_km_ffaebcfa8d6b53,catpred_iteration1_km,km,A0A097ZMZ1,A0A097ZMZ1,MSSKQQFVALSDGHFIPALGFGTYKPNEVPKSKSVEATKLAIGVGYRHIDTAYVYHVEEEIGQAIQSKIKAGDVKREDMFITTKLWCTCFRPELVRPSLEKSLKNLQLDYVDLYIMHFPVPMKSGNNDFPADGQGKLLLDTVDFCATWEALETCKDAGLVKSIGVSNFNHRQLERILNKPGLKYKPVCNQVECHIYNNQSKLLDYCKSKDIVLVAFGALGTQRYKECVDQNSPVLLNDPVLCDVAKKNKRSPALIALRYLVQRGVVPLAQSFKENEMKENLQVFEFQLSSEDMKTLEGLNKNFRYLPVKCFADHPEYPYSEEY,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O,O[C@@H]1C=CC=C[C@H]1O>>,public_strict_iteration1_fulltrue_msa,,-1.958607314841775,,s_4b2e4b8b6d0277d02d5a9e74,test
catpreddb_km_km_ffc4c03978a4a9,catpred_iteration1_km,km,Q2I015,Q2I015,MDSNGHNGTTKSLQDLGDGVETTGRLGKSLDRTSDVDSSVQLDKKSLDKQLPRALDQSTSHLEVPDNSDERCDAGFSDELDGWRTSSSSLVDTRSSDEHSDDCLTPEMKYQRTHPLQPSLVLESPESNGWSSSVPPRARRGLEHCITAPVTTHRSLFLEGQDMAFSRSLTERRDSPGHNLILDRLSEREKQKLIVEMVRIQRDGTVEVDLTKNTPVASELLELQSVEGPIPTVDRIITDFNKSVPKLRISVLVVGTRGDVQPFLAMAKRLQAFGHHVRLATHSNFRDFVKSAGIDFYPLGGDPRILAGYMARNKGLIPSGPGELSIQRKQITTIIESLLPACTEPDTETGEPFRAQAIIANPPAYGHAHVAEALGVPLHIFFTMPWTPTYDFPHPLARVSQTAAYWLSYIVVDLLIWWGIRNYINEFRKKKLNLPPIAYFSTYNGSISHFPTGYIWSPHVVPKPKDWGPLVDVIGYCFLNLGNNYQPPEEFIKWIQNGPKPVYIGFGSMPLEDSKKTTDLILEALKNTGQRGILDRGWGDLGTFQEIPENVFLLAECPHDWLFPQCSAVVHHGGAGTTAAGLRAGCPTTIVPFFGDQFFWGDRIYEKGLGPAPIPISKLSVEGLSDAITFMLQPDVKSRAMELSVLLENEDGVAGAVDAFHRHLPSEIPLPTPPPEECDGPNLLQWLFTRIGKICCLPCGS,CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C>>,public_strict_iteration1_fulltrue_msa,,-2.3467874862246565,,s_8729ee883f6c5e1d1e7b6004,test
catpreddb_km_km_ffd392331adb16,catpred_iteration1_km,km,O67206,O67206,MDRRKFIKTSLFSALGFSVGGLSLLSCGGGGTTGSSSGQGSGTLSKQSLNIPGYFLFPDGQRVSITAKWTTLEVIPGKSTDMLVYEIDNEYNPVIFLRKGQTFSADFVNNSGEDSIIHWHGFRAPWKSDGHPYYAVKDGETYSYPDFTIIDRSGTYFYHPHPHGRTGYQVYYGLAGMIIIEDEDEDNLKQALDLEYGVIDIPLIIQDKTFDSSGQLVYNPMGHMGFWGDTILVNLTPNPYMDVERKIYRFRILNGSNARPYRLALLRGNQRMRFWVIGVEGGLLDTPKEVNEILVAPGERIDILVDFRDASVNDVIKLYNFPHNLIGMGMIGMRMGMGMERGMGMGNGMNMDMGMADNSEFEVMEFRVTKDSAYDKSIPQRLSEVTPINTDGAQVQRITLGMRRMVFTINGETWEDGYANPQDINNPKVLFEQNNGDVVIIEYVNNTGMYHPMHIHGFQFQVLERSLGPLRATDLGWKDTVIVAPMETVRIAVDMSHPYNEHQIYLLHCHILEHHDEGMMVNYRVNA,[Cu+],[Cu+],[Cu+]>>,public_strict_iteration1_fulltrue_msa,,-1.3622291557993451,,s_51f714c2449518f0f1cf2f16,test
catpreddb_km_km_ffd3dc9bb84605,catpred_iteration1_km,km,B6D1W5,B6D1W5,MLSHIVEAFTGKNEEENKKKIKGKVVLMKKNVLDFNDFGGSVLDRVHELLGQKVSLQLISSINGDPENKLKGKLGRAAYLEDWITTFTSLTPGDSAFHVTFDWEEEEIGIPGAFIIQNFHHTEFYLKTLTLEDVPGHHGPIHFVCNSWVYPAEKYKTDRVFFTNKTYLPSETPEPLVKYREEELVNLRGNGSGQLEEWDRVYDYAYYNDLGDPDKGSDYARPVLGGSVEYPYPRRGRTGRPPTKTDPNSESRIPLLTSLDIYIPRDERFGHLKMSDFLAYALKSVVQFLLPEFEDLCDSIHNEFDSFEDILQIYEGGFKLPEGPLLKNIFENIPFEMLKVLLRSDGEGLFKFPLPQVIKDDKSAWRTDEEFAREMLAGVNPVIISRLQEFPPTSKLDPNLYGDQTSTISGGHIENKLDGLTIDEAIRTNKLFILNHHDALMPYLKRINSTTTKTYASRTLLFLQKDGSLKPLAIELSLPHPDGYQFGAISKVYLPAEHGIDSSIWQLAKAYVAINDSGVHQLISHWLNTHASIEPFVIATNRQLSVLYPIHKLLHPHFRDTMNINAVGRQILINAGGILEATVFPAKYSMEMSAVIYKDWVFTEQGLPADLLKRGMAVDDSNSPHGLRLLIEDYPYAVDGLEIWSAIKTWVQDYCNFYYTSDILVQKDAELQSWWTEVREKGHGDKKNEPWWPKMQTRGELVDSCTTIIWMASALHAAVNFGQYPYAGYLPVRPTLSRRFMPEPGKPEYDELKTNPDKVFLKTITARLQTLLGISLIEILSSHSSDEVYLGQRDALEWTKDVEPLEAFDRFGTKLREVEERIKQMNNDKKWRNRVGPVNVPYTLLYPTSEEGLTGKGIPNSVSI,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O>>,public_strict_iteration1_fulltrue_msa,,-1.2379086102687125,,s_321ab8105e12d5f609b93865,test