| data_second_mut_M4 |
| # |
| _entry.id second_mut_M4 |
| # |
| _struct.title 'SPICE coarse Calpha model of miniSOG 7QF3 mutant (116 residue)' |
| _struct.pdbx_DETAILS 'Coarse C-alpha model. Secondary structure = geometric consensus of 5 SPICE MD survivors (>=4/5).' |
| # |
| _entity.id 1 |
| _entity.type 'polymer' |
| _entity.src_method 'man' |
| # |
| _entity_poly.entity_id 1 |
| _entity_poly.type 'polypeptide(L)' |
| _entity_poly.pdbx_seq_one_letter_code_can |
| ; |
| MEKSFVITDPRLPDNPIIFASDGFLELTEYSREEILGRNGRFLQGPETDKATVQKIQDAIRDQREITVQLINYTKSGKKFWNLLHLQPMRDQKGELQYFIGVQLDGEFIPNPLLGL |
| ; |
| # |
| loop_ |
| _struct_conf.id |
| _struct_conf.conf_type_id |
| _struct_conf.beg_label_comp_id |
| _struct_conf.beg_label_asym_id |
| _struct_conf.beg_label_seq_id |
| _struct_conf.end_label_comp_id |
| _struct_conf.end_label_asym_id |
| _struct_conf.end_label_seq_id |
| HX_1 HELIX_P ASP A 49 ILE A 60 |
| # |
| loop_ |
| _struct_sheet_range.id |
| _struct_sheet_range.sheet_id |
| _struct_sheet_range.beg_label_comp_id |
| _struct_sheet_range.beg_label_asym_id |
| _struct_sheet_range.beg_label_seq_id |
| _struct_sheet_range.end_label_comp_id |
| _struct_sheet_range.end_label_asym_id |
| _struct_sheet_range.end_label_seq_id |
| ST_1 S1 LYS A 3 PHE A 5 |
| ST_2 S2 GLN A 63 GLN A 69 |
| ST_3 S3 ILE A 71 TYR A 73 |
| ST_4 S4 GLY A 77 TRP A 81 |
| ST_5 S5 LEU A 83 ARG A 90 |
| ST_6 S6 LEU A 96 ASP A 105 |
| # |
| loop_ |
| _atom_site.group_PDB |
| _atom_site.id |
| _atom_site.type_symbol |
| _atom_site.label_atom_id |
| _atom_site.label_comp_id |
| _atom_site.label_asym_id |
| _atom_site.label_entity_id |
| _atom_site.label_seq_id |
| _atom_site.Cartn_x |
| _atom_site.Cartn_y |
| _atom_site.Cartn_z |
| _atom_site.occupancy |
| _atom_site.B_iso_or_equiv |
| ATOM 1 C CA MET A 1 1 8.972 -5.205 -29.184 1.00 0.00 |
| ATOM 2 C CA GLU A 1 2 11.639 -3.573 -26.914 1.00 0.00 |
| ATOM 3 C CA LYS A 1 3 12.306 -5.160 -23.348 1.00 0.00 |
| ATOM 4 C CA SER A 1 4 8.893 -4.496 -21.445 1.00 0.00 |
| ATOM 5 C CA PHE A 1 5 8.267 -2.637 -17.998 1.00 0.00 |
| ATOM 6 C CA VAL A 1 6 5.595 -0.412 -16.163 1.00 0.00 |
| ATOM 7 C CA ILE A 1 7 7.141 1.630 -13.193 1.00 0.00 |
| ATOM 8 C CA THR A 1 8 4.158 2.246 -10.637 1.00 0.00 |
| ATOM 9 C CA ASP A 1 9 4.094 4.918 -7.702 1.00 0.00 |
| ATOM 10 C CA PRO A 1 10 3.370 3.856 -3.984 1.00 0.00 |
| ATOM 11 C CA ARG A 1 11 3.332 7.428 -2.275 1.00 0.00 |
| ATOM 12 C CA LEU A 1 12 0.731 9.416 -4.450 1.00 0.00 |
| ATOM 13 C CA PRO A 1 13 -2.860 7.984 -3.874 1.00 0.00 |
| ATOM 14 C CA ASP A 1 14 -3.627 4.291 -5.065 1.00 0.00 |
| ATOM 15 C CA ASN A 1 15 -0.662 3.493 -7.450 1.00 0.00 |
| ATOM 16 C CA PRO A 1 16 -0.644 5.329 -10.976 1.00 0.00 |
| ATOM 17 C CA ILE A 1 17 1.583 4.040 -13.881 1.00 0.00 |
| ATOM 18 C CA ILE A 1 18 4.036 7.074 -13.997 1.00 0.00 |
| ATOM 19 C CA PHE A 1 19 6.319 5.931 -17.043 1.00 0.00 |
| ATOM 20 C CA ALA A 1 20 4.627 4.231 -20.133 1.00 0.00 |
| ATOM 21 C CA SER A 1 21 7.810 3.007 -22.065 1.00 0.00 |
| ATOM 22 C CA ASP A 1 22 7.919 1.987 -25.891 1.00 0.00 |
| ATOM 23 C CA GLY A 1 23 8.307 -1.833 -24.911 1.00 0.00 |
| ATOM 24 C CA PHE A 1 24 4.809 -1.967 -23.134 1.00 0.00 |
| ATOM 25 C CA LEU A 1 25 2.770 -0.286 -26.092 1.00 0.00 |
| ATOM 26 C CA GLU A 1 26 3.450 -3.178 -28.710 1.00 0.00 |
| ATOM 27 C CA LEU A 1 27 2.372 -6.386 -26.614 1.00 0.00 |
| ATOM 28 C CA THR A 1 28 -0.909 -5.205 -24.721 1.00 0.00 |
| ATOM 29 C CA GLU A 1 29 -1.709 -2.556 -27.610 1.00 0.00 |
| ATOM 30 C CA TYR A 1 30 -3.059 0.552 -25.603 1.00 0.00 |
| ATOM 31 C CA SER A 1 31 -1.929 4.216 -26.602 1.00 0.00 |
| ATOM 32 C CA ARG A 1 32 0.672 6.250 -24.420 1.00 0.00 |
| ATOM 33 C CA GLU A 1 33 -1.647 8.958 -22.921 1.00 0.00 |
| ATOM 34 C CA GLU A 1 34 -4.496 7.018 -21.003 1.00 0.00 |
| ATOM 35 C CA ILE A 1 35 -1.847 4.444 -19.594 1.00 0.00 |
| ATOM 36 C CA LEU A 1 36 -0.625 7.341 -17.173 1.00 0.00 |
| ATOM 37 C CA GLY A 1 37 -2.937 7.659 -14.024 1.00 0.00 |
| ATOM 38 C CA ARG A 1 38 -4.962 4.256 -13.558 1.00 0.00 |
| ATOM 39 C CA ASN A 1 39 -4.498 1.061 -11.303 1.00 0.00 |
| ATOM 40 C CA GLY A 1 40 -3.029 -2.116 -13.087 1.00 0.00 |
| ATOM 41 C CA ARG A 1 41 -6.388 -4.302 -12.547 1.00 0.00 |
| ATOM 42 C CA PHE A 1 42 -8.183 -2.716 -15.776 1.00 0.00 |
| ATOM 43 C CA LEU A 1 43 -6.324 -5.412 -18.003 1.00 0.00 |
| ATOM 44 C CA GLN A 1 44 -8.040 -8.424 -16.134 1.00 0.00 |
| ATOM 45 C CA GLY A 1 45 -11.548 -9.650 -17.302 1.00 0.00 |
| ATOM 46 C CA PRO A 1 46 -14.035 -12.607 -16.534 1.00 0.00 |
| ATOM 47 C CA GLU A 1 47 -11.743 -15.634 -17.693 1.00 0.00 |
| ATOM 48 C CA THR A 1 48 -9.370 -14.627 -14.690 1.00 0.00 |
| ATOM 49 C CA ASP A 1 49 -9.009 -17.528 -12.101 1.00 0.00 |
| ATOM 50 C CA LYS A 1 50 -9.802 -15.263 -8.904 1.00 0.00 |
| ATOM 51 C CA ALA A 1 51 -7.648 -17.409 -6.336 1.00 0.00 |
| ATOM 52 C CA THR A 1 52 -4.477 -16.379 -8.449 1.00 0.00 |
| ATOM 53 C CA VAL A 1 53 -5.370 -12.509 -8.386 1.00 0.00 |
| ATOM 54 C CA GLN A 1 54 -5.261 -12.581 -4.438 1.00 0.00 |
| ATOM 55 C CA LYS A 1 55 -1.373 -13.294 -4.612 1.00 0.00 |
| ATOM 56 C CA ILE A 1 56 -0.816 -9.717 -6.235 1.00 0.00 |
| ATOM 57 C CA GLN A 1 57 -2.250 -7.926 -2.990 1.00 0.00 |
| ATOM 58 C CA ASP A 1 58 -0.035 -9.984 -0.409 1.00 0.00 |
| ATOM 59 C CA ALA A 1 59 3.497 -8.658 -1.585 1.00 0.00 |
| ATOM 60 C CA ILE A 1 60 2.385 -4.935 -2.108 1.00 0.00 |
| ATOM 61 C CA ARG A 1 61 1.541 -5.083 1.764 1.00 0.00 |
| ATOM 62 C CA ASP A 1 62 5.054 -6.367 2.924 1.00 0.00 |
| ATOM 63 C CA GLN A 1 63 7.564 -5.100 0.155 1.00 0.00 |
| ATOM 64 C CA ARG A 1 64 8.726 -8.757 -0.803 1.00 0.00 |
| ATOM 65 C CA GLU A 1 65 9.556 -10.281 -4.295 1.00 0.00 |
| ATOM 66 C CA ILE A 1 66 6.569 -12.463 -5.778 1.00 0.00 |
| ATOM 67 C CA THR A 1 67 6.423 -14.327 -9.310 1.00 0.00 |
| ATOM 68 C CA VAL A 1 68 2.730 -15.322 -10.388 1.00 0.00 |
| ATOM 69 C CA GLN A 1 69 1.159 -16.559 -13.634 1.00 0.00 |
| ATOM 70 C CA LEU A 1 70 -2.374 -14.912 -14.673 1.00 0.00 |
| ATOM 71 C CA ILE A 1 71 -4.687 -14.329 -17.905 1.00 0.00 |
| ATOM 72 C CA ASN A 1 72 -3.846 -10.701 -19.303 1.00 0.00 |
| ATOM 73 C CA TYR A 1 73 -5.896 -8.764 -22.153 1.00 0.00 |
| ATOM 74 C CA THR A 1 74 -5.491 -6.399 -25.310 1.00 0.00 |
| ATOM 75 C CA LYS A 1 75 -7.640 -3.265 -26.479 1.00 0.00 |
| ATOM 76 C CA SER A 1 76 -9.738 -5.357 -29.154 1.00 0.00 |
| ATOM 77 C CA GLY A 1 77 -9.958 -8.814 -27.276 1.00 0.00 |
| ATOM 78 C CA LYS A 1 78 -7.174 -11.447 -28.314 1.00 0.00 |
| ATOM 79 C CA LYS A 1 79 -6.399 -13.994 -25.401 1.00 0.00 |
| ATOM 80 C CA PHE A 1 80 -2.638 -14.368 -24.308 1.00 0.00 |
| ATOM 81 C CA TRP A 1 81 -0.347 -15.927 -21.519 1.00 0.00 |
| ATOM 82 C CA ASN A 1 82 1.499 -13.409 -19.110 1.00 0.00 |
| ATOM 83 C CA LEU A 1 83 4.566 -14.187 -16.827 1.00 0.00 |
| ATOM 84 C CA LEU A 1 84 4.517 -11.268 -14.133 1.00 0.00 |
| ATOM 85 C CA HIS A 1 85 7.949 -10.689 -12.340 1.00 0.00 |
| ATOM 86 C CA LEU A 1 86 7.621 -8.243 -9.212 1.00 0.00 |
| ATOM 87 C CA GLN A 1 87 10.407 -6.214 -7.330 1.00 0.00 |
| ATOM 88 C CA PRO A 1 88 10.438 -3.414 -4.466 1.00 0.00 |
| ATOM 89 C CA MET A 1 89 13.156 -0.985 -5.831 1.00 0.00 |
| ATOM 90 C CA ARG A 1 90 14.914 0.921 -2.924 1.00 0.00 |
| ATOM 91 C CA ASP A 1 91 16.448 4.398 -2.718 1.00 0.00 |
| ATOM 92 C CA GLN A 1 92 19.357 4.800 -0.104 1.00 0.00 |
| ATOM 93 C CA LYS A 1 93 17.401 5.893 3.236 1.00 0.00 |
| ATOM 94 C CA GLY A 1 94 15.508 2.503 3.538 1.00 0.00 |
| ATOM 95 C CA GLU A 1 95 12.104 4.098 2.249 1.00 0.00 |
| ATOM 96 C CA LEU A 1 96 9.847 2.437 -0.512 1.00 0.00 |
| ATOM 97 C CA GLN A 1 97 10.602 4.765 -3.666 1.00 0.00 |
| ATOM 98 C CA TYR A 1 98 9.308 2.991 -6.943 1.00 0.00 |
| ATOM 99 C CA PHE A 1 99 7.999 -0.500 -8.043 1.00 0.00 |
| ATOM 100 C CA ILE A 1 100 9.026 -2.303 -11.421 1.00 0.00 |
| ATOM 101 C CA GLY A 1 101 7.408 -5.345 -13.356 1.00 0.00 |
| ATOM 102 C CA VAL A 1 102 8.798 -7.117 -16.617 1.00 0.00 |
| ATOM 103 C CA GLN A 1 103 5.856 -8.207 -19.026 1.00 0.00 |
| ATOM 104 C CA LEU A 1 104 6.538 -11.456 -21.042 1.00 0.00 |
| ATOM 105 C CA ASP A 1 105 4.314 -13.067 -23.867 1.00 0.00 |
| ATOM 106 C CA GLY A 1 106 4.381 -16.930 -23.233 1.00 0.00 |
| ATOM 107 C CA GLU A 1 107 2.843 -20.201 -21.565 1.00 0.00 |
| ATOM 108 C CA PHE A 1 108 6.097 -21.492 -19.843 1.00 0.00 |
| ATOM 109 C CA ILE A 1 109 4.551 -23.387 -16.847 1.00 0.00 |
| ATOM 110 C CA PRO A 1 110 1.763 -25.461 -18.748 1.00 0.00 |
| ATOM 111 C CA ASN A 1 111 -2.081 -24.569 -18.038 1.00 0.00 |
| ATOM 112 C CA PRO A 1 112 -3.066 -28.083 -16.435 1.00 0.00 |
| ATOM 113 C CA LEU A 1 113 -0.261 -28.146 -13.663 1.00 0.00 |
| ATOM 114 C CA LEU A 1 114 -0.991 -24.345 -12.865 1.00 0.00 |
| ATOM 115 C CA GLY A 1 115 -4.278 -25.689 -11.139 1.00 0.00 |
| ATOM 116 C CA LEU A 1 116 -2.250 -27.833 -8.550 1.00 0.00 |
| # |
|
|
