data_second_mut_M5 # _entry.id second_mut_M5 # _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 9.026 -4.536 -28.442 1.00 0.00 ATOM 2 C CA GLU A 1 2 12.100 -3.398 -26.344 1.00 0.00 ATOM 3 C CA LYS A 1 3 12.734 -5.287 -22.880 1.00 0.00 ATOM 4 C CA SER A 1 4 9.137 -4.573 -21.540 1.00 0.00 ATOM 5 C CA PHE A 1 5 8.104 -2.532 -18.295 1.00 0.00 ATOM 6 C CA VAL A 1 6 5.587 -0.092 -16.499 1.00 0.00 ATOM 7 C CA ILE A 1 7 7.208 1.796 -13.454 1.00 0.00 ATOM 8 C CA THR A 1 8 4.345 2.339 -10.809 1.00 0.00 ATOM 9 C CA ASP A 1 9 4.283 4.691 -7.545 1.00 0.00 ATOM 10 C CA PRO A 1 10 3.142 3.507 -3.897 1.00 0.00 ATOM 11 C CA ARG A 1 11 3.371 7.150 -2.383 1.00 0.00 ATOM 12 C CA LEU A 1 12 0.709 8.784 -4.727 1.00 0.00 ATOM 13 C CA PRO A 1 13 -3.015 7.410 -4.094 1.00 0.00 ATOM 14 C CA ASP A 1 14 -3.372 3.670 -5.312 1.00 0.00 ATOM 15 C CA ASN A 1 15 -0.104 2.984 -7.477 1.00 0.00 ATOM 16 C CA PRO A 1 16 -0.696 5.191 -10.744 1.00 0.00 ATOM 17 C CA ILE A 1 17 1.562 4.082 -13.712 1.00 0.00 ATOM 18 C CA ILE A 1 18 3.927 7.350 -13.938 1.00 0.00 ATOM 19 C CA PHE A 1 19 6.422 6.422 -16.879 1.00 0.00 ATOM 20 C CA ALA A 1 20 4.884 4.410 -19.887 1.00 0.00 ATOM 21 C CA SER A 1 21 8.064 3.117 -21.829 1.00 0.00 ATOM 22 C CA ASP A 1 22 8.375 2.166 -25.633 1.00 0.00 ATOM 23 C CA GLY A 1 23 8.425 -1.728 -24.833 1.00 0.00 ATOM 24 C CA PHE A 1 24 4.967 -1.816 -22.887 1.00 0.00 ATOM 25 C CA LEU A 1 25 3.086 -0.084 -25.985 1.00 0.00 ATOM 26 C CA GLU A 1 26 3.549 -3.133 -28.603 1.00 0.00 ATOM 27 C CA LEU A 1 27 2.547 -6.332 -26.465 1.00 0.00 ATOM 28 C CA THR A 1 28 -0.820 -5.064 -24.798 1.00 0.00 ATOM 29 C CA GLU A 1 29 -1.666 -2.451 -27.746 1.00 0.00 ATOM 30 C CA TYR A 1 30 -2.944 0.805 -25.824 1.00 0.00 ATOM 31 C CA SER A 1 31 -1.372 4.293 -26.869 1.00 0.00 ATOM 32 C CA ARG A 1 32 0.711 6.497 -24.357 1.00 0.00 ATOM 33 C CA GLU A 1 33 -1.946 8.933 -23.000 1.00 0.00 ATOM 34 C CA GLU A 1 34 -4.661 6.935 -21.072 1.00 0.00 ATOM 35 C CA ILE A 1 35 -1.928 4.448 -19.517 1.00 0.00 ATOM 36 C CA LEU A 1 36 -0.901 7.473 -17.182 1.00 0.00 ATOM 37 C CA GLY A 1 37 -3.259 7.383 -14.077 1.00 0.00 ATOM 38 C CA ARG A 1 38 -4.849 3.850 -13.943 1.00 0.00 ATOM 39 C CA ASN A 1 39 -4.030 0.597 -11.725 1.00 0.00 ATOM 40 C CA GLY A 1 40 -2.658 -2.696 -13.469 1.00 0.00 ATOM 41 C CA ARG A 1 41 -6.124 -4.555 -12.794 1.00 0.00 ATOM 42 C CA PHE A 1 42 -8.081 -2.850 -15.799 1.00 0.00 ATOM 43 C CA LEU A 1 43 -6.882 -5.623 -18.369 1.00 0.00 ATOM 44 C CA GLN A 1 44 -8.099 -8.608 -16.008 1.00 0.00 ATOM 45 C CA GLY A 1 45 -11.855 -9.211 -17.288 1.00 0.00 ATOM 46 C CA PRO A 1 46 -14.335 -12.373 -17.001 1.00 0.00 ATOM 47 C CA GLU A 1 47 -11.658 -15.188 -16.916 1.00 0.00 ATOM 48 C CA THR A 1 48 -8.984 -14.338 -14.701 1.00 0.00 ATOM 49 C CA ASP A 1 49 -8.907 -17.124 -11.949 1.00 0.00 ATOM 50 C CA LYS A 1 50 -9.665 -15.026 -8.673 1.00 0.00 ATOM 51 C CA ALA A 1 51 -7.640 -17.294 -6.151 1.00 0.00 ATOM 52 C CA THR A 1 52 -4.439 -16.488 -8.298 1.00 0.00 ATOM 53 C CA VAL A 1 53 -5.422 -12.593 -7.918 1.00 0.00 ATOM 54 C CA GLN A 1 54 -5.043 -12.704 -3.997 1.00 0.00 ATOM 55 C CA LYS A 1 55 -1.218 -13.676 -4.571 1.00 0.00 ATOM 56 C CA ILE A 1 56 -0.624 -10.046 -6.041 1.00 0.00 ATOM 57 C CA GLN A 1 57 -2.475 -7.819 -3.288 1.00 0.00 ATOM 58 C CA ASP A 1 58 -0.572 -9.688 -0.326 1.00 0.00 ATOM 59 C CA ALA A 1 59 3.058 -8.670 -1.580 1.00 0.00 ATOM 60 C CA ILE A 1 60 2.497 -4.787 -2.155 1.00 0.00 ATOM 61 C CA ARG A 1 61 1.513 -4.492 1.641 1.00 0.00 ATOM 62 C CA ASP A 1 62 4.898 -6.044 3.074 1.00 0.00 ATOM 63 C CA GLN A 1 63 7.567 -5.347 0.308 1.00 0.00 ATOM 64 C CA ARG A 1 64 8.746 -8.793 -0.902 1.00 0.00 ATOM 65 C CA GLU A 1 65 9.423 -10.145 -4.551 1.00 0.00 ATOM 66 C CA ILE A 1 66 6.922 -12.884 -6.001 1.00 0.00 ATOM 67 C CA THR A 1 67 6.971 -14.545 -9.616 1.00 0.00 ATOM 68 C CA VAL A 1 68 3.122 -15.093 -10.312 1.00 0.00 ATOM 69 C CA GLN A 1 69 1.103 -15.999 -13.582 1.00 0.00 ATOM 70 C CA LEU A 1 70 -2.403 -14.570 -14.816 1.00 0.00 ATOM 71 C CA ILE A 1 71 -4.540 -14.561 -18.078 1.00 0.00 ATOM 72 C CA ASN A 1 72 -3.683 -10.968 -19.535 1.00 0.00 ATOM 73 C CA TYR A 1 73 -6.139 -9.109 -22.065 1.00 0.00 ATOM 74 C CA THR A 1 74 -5.499 -6.736 -25.213 1.00 0.00 ATOM 75 C CA LYS A 1 75 -7.456 -3.558 -26.826 1.00 0.00 ATOM 76 C CA SER A 1 76 -10.291 -5.567 -28.844 1.00 0.00 ATOM 77 C CA GLY A 1 77 -10.776 -8.878 -26.791 1.00 0.00 ATOM 78 C CA LYS A 1 78 -7.711 -11.091 -27.640 1.00 0.00 ATOM 79 C CA LYS A 1 79 -6.416 -13.984 -25.257 1.00 0.00 ATOM 80 C CA PHE A 1 80 -2.676 -14.796 -24.210 1.00 0.00 ATOM 81 C CA TRP A 1 81 -0.183 -15.956 -21.339 1.00 0.00 ATOM 82 C CA ASN A 1 82 1.697 -13.390 -19.096 1.00 0.00 ATOM 83 C CA LEU A 1 83 4.913 -14.073 -16.944 1.00 0.00 ATOM 84 C CA LEU A 1 84 5.147 -11.093 -14.299 1.00 0.00 ATOM 85 C CA HIS A 1 85 8.356 -10.625 -12.034 1.00 0.00 ATOM 86 C CA LEU A 1 86 7.194 -8.086 -9.253 1.00 0.00 ATOM 87 C CA GLN A 1 87 10.110 -5.969 -7.594 1.00 0.00 ATOM 88 C CA PRO A 1 88 10.211 -3.488 -4.431 1.00 0.00 ATOM 89 C CA MET A 1 89 12.680 -0.689 -5.549 1.00 0.00 ATOM 90 C CA ARG A 1 90 14.808 0.429 -2.494 1.00 0.00 ATOM 91 C CA ASP A 1 91 16.264 4.064 -2.715 1.00 0.00 ATOM 92 C CA GLN A 1 92 19.513 4.897 -0.571 1.00 0.00 ATOM 93 C CA LYS A 1 93 17.554 5.696 2.840 1.00 0.00 ATOM 94 C CA GLY A 1 94 15.628 2.237 3.126 1.00 0.00 ATOM 95 C CA GLU A 1 95 12.054 3.661 2.179 1.00 0.00 ATOM 96 C CA LEU A 1 96 9.703 2.751 -0.921 1.00 0.00 ATOM 97 C CA GLN A 1 97 10.441 4.823 -4.155 1.00 0.00 ATOM 98 C CA TYR A 1 98 8.774 2.630 -7.013 1.00 0.00 ATOM 99 C CA PHE A 1 99 7.717 -0.817 -8.028 1.00 0.00 ATOM 100 C CA ILE A 1 100 8.781 -2.332 -11.569 1.00 0.00 ATOM 101 C CA GLY A 1 101 6.748 -5.069 -13.435 1.00 0.00 ATOM 102 C CA VAL A 1 102 8.053 -7.135 -16.516 1.00 0.00 ATOM 103 C CA GLN A 1 103 5.568 -8.647 -19.177 1.00 0.00 ATOM 104 C CA LEU A 1 104 6.599 -11.692 -21.321 1.00 0.00 ATOM 105 C CA ASP A 1 105 4.577 -12.944 -24.383 1.00 0.00 ATOM 106 C CA GLY A 1 106 4.740 -16.720 -23.660 1.00 0.00 ATOM 107 C CA GLU A 1 107 3.112 -19.984 -22.007 1.00 0.00 ATOM 108 C CA PHE A 1 108 6.125 -21.184 -19.748 1.00 0.00 ATOM 109 C CA ILE A 1 109 4.435 -23.295 -16.962 1.00 0.00 ATOM 110 C CA PRO A 1 110 1.458 -25.028 -18.884 1.00 0.00 ATOM 111 C CA ASN A 1 111 -2.135 -24.065 -17.468 1.00 0.00 ATOM 112 C CA PRO A 1 112 -3.250 -27.701 -16.469 1.00 0.00 ATOM 113 C CA LEU A 1 113 -0.397 -28.179 -13.757 1.00 0.00 ATOM 114 C CA LEU A 1 114 -0.962 -24.526 -12.333 1.00 0.00 ATOM 115 C CA GLY A 1 115 -4.428 -25.652 -10.692 1.00 0.00 ATOM 116 C CA LEU A 1 116 -2.496 -27.808 -8.144 1.00 0.00 #