data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 LYS 0 3 SER 0 4 PHE 0 5 SER 0 6 GLY 0 7 GLN 0 8 PRO 0 9 THR 0 10 ASN 0 11 LEU 0 12 CYS 0 13 GLY 0 14 SER 0 15 LYS 0 16 ILE 0 17 SER 0 18 ILE 0 19 MET 0 20 ARG 0 21 PHE 0 22 LYS 0 23 CYS 0 24 SER 0 25 VAL 0 26 ILE 0 27 VAL # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . -2.255 14.773 17.720 1.00 48.03 1 A 1 ATOM 2 C CA . MET A 0 1 . -1.961 13.777 16.664 1.00 48.03 1 A 1 ATOM 3 C C . MET A 0 1 . -1.353 14.506 15.476 1.00 48.03 1 A 1 ATOM 4 C CB . MET A 0 1 . -3.244 13.045 16.241 1.00 48.03 1 A 1 ATOM 5 O O . MET A 0 1 . -1.965 15.453 15.003 1.00 48.03 1 A 1 ATOM 6 C CG . MET A 0 1 . -3.692 12.018 17.286 1.00 48.03 1 A 1 ATOM 7 S SD . MET A 0 1 . -5.383 11.437 17.010 1.00 48.03 1 A 1 ATOM 8 C CE . MET A 0 1 . -5.148 9.637 17.013 1.00 48.03 1 A 1 ATOM 9 N N . LYS A 0 2 . -0.142 14.141 15.043 1.00 49.95 2 A 1 ATOM 10 C CA . LYS A 0 2 . 0.430 14.621 13.775 1.00 49.95 2 A 1 ATOM 11 C C . LYS A 0 2 . 0.030 13.612 12.701 1.00 49.95 2 A 1 ATOM 12 C CB . LYS A 0 2 . 1.965 14.750 13.871 1.00 49.95 2 A 1 ATOM 13 O O . LYS A 0 2 . 0.494 12.478 12.749 1.00 49.95 2 A 1 ATOM 14 C CG . LYS A 0 2 . 2.433 15.949 14.716 1.00 49.95 2 A 1 ATOM 15 C CD . LYS A 0 2 . 3.969 15.991 14.813 1.00 49.95 2 A 1 ATOM 16 C CE . LYS A 0 2 . 4.437 17.192 15.650 1.00 49.95 2 A 1 ATOM 17 N NZ . LYS A 0 2 . 5.916 17.220 15.814 1.00 49.95 2 A 1 ATOM 18 N N . SER A 0 3 . -0.858 13.992 11.791 1.00 68.14 3 A 1 ATOM 19 C CA . SER A 0 3 . -1.208 13.152 10.642 1.00 68.14 3 A 1 ATOM 20 C C . SER A 0 3 . -0.189 13.398 9.529 1.00 68.14 3 A 1 ATOM 21 C CB . SER A 0 3 . -2.637 13.439 10.169 1.00 68.14 3 A 1 ATOM 22 O O . SER A 0 3 . -0.025 14.535 9.095 1.00 68.14 3 A 1 ATOM 23 O OG . SER A 0 3 . -3.546 13.190 11.227 1.00 68.14 3 A 1 ATOM 24 N N . PHE A 0 4 . 0.502 12.349 9.080 1.00 71.74 4 A 1 ATOM 25 C CA . PHE A 0 4 . 1.402 12.388 7.925 1.00 71.74 4 A 1 ATOM 26 C C . PHE A 0 4 . 0.660 11.856 6.694 1.00 71.74 4 A 1 ATOM 27 C CB . PHE A 0 4 . 2.669 11.566 8.213 1.00 71.74 4 A 1 ATOM 28 O O . PHE A 0 4 . 0.167 10.729 6.712 1.00 71.74 4 A 1 ATOM 29 C CG . PHE A 0 4 . 3.631 12.205 9.200 1.00 71.74 4 A 1 ATOM 30 C CD1 . PHE A 0 4 . 4.669 13.032 8.729 1.00 71.74 4 A 1 ATOM 31 C CD2 . PHE A 0 4 . 3.506 11.966 10.583 1.00 71.74 4 A 1 ATOM 32 C CE1 . PHE A 0 4 . 5.582 13.607 9.631 1.00 71.74 4 A 1 ATOM 33 C CE2 . PHE A 0 4 . 4.421 12.539 11.485 1.00 71.74 4 A 1 ATOM 34 C CZ . PHE A 0 4 . 5.462 13.356 11.008 1.00 71.74 4 A 1 ATOM 35 N N . SER A 0 5 . 0.581 12.647 5.623 1.00 73.24 5 A 1 ATOM 36 C CA . SER A 0 5 . 0.145 12.187 4.302 1.00 73.24 5 A 1 ATOM 37 C C . SER A 0 5 . 1.375 11.896 3.437 1.00 73.24 5 A 1 ATOM 38 C CB . SER A 0 5 . -0.802 13.205 3.647 1.00 73.24 5 A 1 ATOM 39 O O . SER A 0 5 . 2.126 12.798 3.077 1.00 73.24 5 A 1 ATOM 40 O OG . SER A 0 5 . -0.283 14.520 3.708 1.00 73.24 5 A 1 ATOM 41 N N . GLY A 0 6 . 1.605 10.626 3.100 1.00 66.86 6 A 1 ATOM 42 C CA . GLY A 0 6 . 2.572 10.257 2.066 1.00 66.86 6 A 1 ATOM 43 C C . GLY A 0 6 . 1.943 10.460 0.688 1.00 66.86 6 A 1 ATOM 44 O O . GLY A 0 6 . 0.922 9.835 0.390 1.00 66.86 6 A 1 ATOM 45 N N . GLN A 0 7 . 2.509 11.333 -0.152 1.00 69.14 7 A 1 ATOM 46 C CA . GLN A 0 7 . 2.160 11.333 -1.573 1.00 69.14 7 A 1 ATOM 47 C C . GLN A 0 7 . 2.754 10.086 -2.240 1.00 69.14 7 A 1 ATOM 48 C CB . GLN A 0 7 . 2.635 12.591 -2.318 1.00 69.14 7 A 1 ATOM 49 O O . GLN A 0 7 . 3.903 9.741 -1.959 1.00 69.14 7 A 1 ATOM 50 C CG . GLN A 0 7 . 1.619 13.742 -2.251 1.00 69.14 7 A 1 ATOM 51 C CD . GLN A 0 7 . 1.917 14.854 -3.257 1.00 69.14 7 A 1 ATOM 52 N NE2 . GLN A 0 7 . 1.436 16.055 -3.030 1.00 69.14 7 A 1 ATOM 53 O OE1 . GLN A 0 7 . 2.552 14.671 -4.278 1.00 69.14 7 A 1 ATOM 54 N N . PRO A 0 8 . 2.005 9.416 -3.131 1.00 64.99 8 A 1 ATOM 55 C CA . PRO A 0 8 . 2.576 8.363 -3.950 1.00 64.99 8 A 1 ATOM 56 C C . PRO A 0 8 . 3.668 8.956 -4.848 1.00 64.99 8 A 1 ATOM 57 C CB . PRO A 0 8 . 1.389 7.806 -4.732 1.00 64.99 8 A 1 ATOM 58 O O . PRO A 0 8 . 3.402 9.835 -5.667 1.00 64.99 8 A 1 ATOM 59 C CG . PRO A 0 8 . 0.421 8.977 -4.855 1.00 64.99 8 A 1 ATOM 60 C CD . PRO A 0 8 . 0.641 9.721 -3.542 1.00 64.99 8 A 1 ATOM 61 N N . THR A 0 9 . 4.904 8.494 -4.686 1.00 68.80 9 A 1 ATOM 62 C CA . THR A 0 9 . 6.020 8.858 -5.557 1.00 68.80 9 A 1 ATOM 63 C C . THR A 0 9 . 5.831 8.188 -6.913 1.00 68.80 9 A 1 ATOM 64 C CB . THR A 0 9 . 7.374 8.481 -4.927 1.00 68.80 9 A 1 ATOM 65 O O . THR A 0 9 . 5.946 6.972 -7.054 1.00 68.80 9 A 1 ATOM 66 C CG2 . THR A 0 9 . 7.896 9.617 -4.049 1.00 68.80 9 A 1 ATOM 67 O OG1 . THR A 0 9 . 7.263 7.348 -4.090 1.00 68.80 9 A 1 ATOM 68 N N . ASN A 0 10 . 5.523 8.992 -7.932 1.00 63.85 10 A 1 ATOM 69 C CA . ASN A 0 10 . 5.538 8.542 -9.318 1.00 63.85 10 A 1 ATOM 70 C C . ASN A 0 10 . 7.005 8.334 -9.724 1.00 63.85 10 A 1 ATOM 71 C CB . ASN A 0 10 . 4.801 9.577 -10.206 1.00 63.85 10 A 1 ATOM 72 O O . ASN A 0 10 . 7.726 9.300 -9.970 1.00 63.85 10 A 1 ATOM 73 C CG . ASN A 0 10 . 3.588 9.037 -10.942 1.00 63.85 10 A 1 ATOM 74 N ND2 . ASN A 0 10 . 2.953 9.871 -11.734 1.00 63.85 10 A 1 ATOM 75 O OD1 . ASN A 0 10 . 3.177 7.896 -10.837 1.00 63.85 10 A 1 ATOM 76 N N . LEU A 0 11 . 7.468 7.084 -9.762 1.00 63.14 11 A 1 ATOM 77 C CA . LEU A 0 11 . 8.766 6.765 -10.350 1.00 63.14 11 A 1 ATOM 78 C C . LEU A 0 11 . 8.633 6.968 -11.869 1.00 63.14 11 A 1 ATOM 79 C CB . LEU A 0 11 . 9.196 5.335 -9.955 1.00 63.14 11 A 1 ATOM 80 O O . LEU A 0 11 . 7.851 6.272 -12.520 1.00 63.14 11 A 1 ATOM 81 C CG . LEU A 0 11 . 10.710 5.227 -9.682 1.00 63.14 11 A 1 ATOM 82 C CD1 . LEU A 0 11 . 11.036 5.652 -8.247 1.00 63.14 11 A 1 ATOM 83 C CD2 . LEU A 0 11 . 11.195 3.792 -9.876 1.00 63.14 11 A 1 ATOM 84 N N . CYS A 0 12 . 9.323 7.977 -12.412 1.00 66.07 12 A 1 ATOM 85 C CA . CYS A 0 12 . 9.253 8.367 -13.823 1.00 66.07 12 A 1 ATOM 86 C C . CYS A 0 12 . 9.385 7.127 -14.730 1.00 66.07 12 A 1 ATOM 87 C CB . CYS A 0 12 . 10.364 9.397 -14.091 1.00 66.07 12 A 1 ATOM 88 O O . CYS A 0 12 . 10.421 6.470 -14.733 1.00 66.07 12 A 1 ATOM 89 S SG . CYS A 0 12 . 10.172 10.110 -15.750 1.00 66.07 12 A 1 ATOM 90 N N . GLY A 0 13 . 8.310 6.779 -15.448 1.00 63.26 13 A 1 ATOM 91 C CA . GLY A 0 13 . 8.267 5.650 -16.388 1.00 63.26 13 A 1 ATOM 92 C C . GLY A 0 13 . 7.459 4.422 -15.951 1.00 63.26 13 A 1 ATOM 93 O O . GLY A 0 13 . 7.183 3.571 -16.790 1.00 63.26 13 A 1 ATOM 94 N N . SER A 0 14 . 7.010 4.322 -14.695 1.00 65.54 14 A 1 ATOM 95 C CA . SER A 0 14 . 6.153 3.214 -14.237 1.00 65.54 14 A 1 ATOM 96 C C . SER A 0 14 . 4.902 3.740 -13.535 1.00 65.54 14 A 1 ATOM 97 C CB . SER A 0 14 . 6.951 2.279 -13.324 1.00 65.54 14 A 1 ATOM 98 O O . SER A 0 14 . 4.982 4.333 -12.462 1.00 65.54 14 A 1 ATOM 99 O OG . SER A 0 14 . 7.926 1.595 -14.084 1.00 65.54 14 A 1 ATOM 100 N N . LYS A 0 15 . 3.717 3.518 -14.124 1.00 69.96 15 A 1 ATOM 101 C CA . LYS A 0 15 . 2.432 3.774 -13.451 1.00 69.96 15 A 1 ATOM 102 C C . LYS A 0 15 . 2.240 2.725 -12.352 1.00 69.96 15 A 1 ATOM 103 C CB . LYS A 0 15 . 1.256 3.747 -14.449 1.00 69.96 15 A 1 ATOM 104 O O . LYS A 0 15 . 1.727 1.641 -12.613 1.00 69.96 15 A 1 ATOM 105 C CG . LYS A 0 15 . 1.156 5.003 -15.328 1.00 69.96 15 A 1 ATOM 106 C CD . LYS A 0 15 . -0.051 4.895 -16.276 1.00 69.96 15 A 1 ATOM 107 C CE . LYS A 0 15 . -0.156 6.128 -17.183 1.00 69.96 15 A 1 ATOM 108 N NZ . LYS A 0 15 . -1.269 6.002 -18.159 1.00 69.96 15 A 1 ATOM 109 N N . ILE A 0 16 . 2.649 3.039 -11.125 1.00 67.72 16 A 1 ATOM 110 C CA . ILE A 0 16 . 2.350 2.200 -9.960 1.00 67.72 16 A 1 ATOM 111 C C . ILE A 0 16 . 0.896 2.480 -9.561 1.00 67.72 16 A 1 ATOM 112 C CB . ILE A 0 16 . 3.360 2.426 -8.811 1.00 67.72 16 A 1 ATOM 113 O O . ILE A 0 16 . 0.576 3.531 -9.006 1.00 67.72 16 A 1 ATOM 114 C CG1 . ILE A 0 16 . 4.810 2.173 -9.295 1.00 67.72 16 A 1 ATOM 115 C CG2 . ILE A 0 16 . 3.031 1.482 -7.638 1.00 67.72 16 A 1 ATOM 116 C CD1 . ILE A 0 16 . 5.889 2.551 -8.275 1.00 67.72 16 A 1 ATOM 117 N N . SER A 0 17 . -0.007 1.549 -9.876 1.00 71.89 17 A 1 ATOM 118 C CA . SER A 0 17 . -1.403 1.609 -9.434 1.00 71.89 17 A 1 ATOM 119 C C . SER A 0 17 . -1.482 1.262 -7.946 1.00 71.89 17 A 1 ATOM 120 C CB . SER A 0 17 . -2.277 0.681 -10.284 1.00 71.89 17 A 1 ATOM 121 O O . SER A 0 17 . -1.588 0.097 -7.572 1.00 71.89 17 A 1 ATOM 122 O OG . SER A 0 17 . -3.625 0.775 -9.870 1.00 71.89 17 A 1 ATOM 123 N N . ILE A 0 18 . -1.400 2.273 -7.079 1.00 69.59 18 A 1 ATOM 124 C CA . ILE A 0 18 . -1.559 2.098 -5.631 1.00 69.59 18 A 1 ATOM 125 C C . ILE A 0 18 . -3.050 1.935 -5.328 1.00 69.59 18 A 1 ATOM 126 C CB . ILE A 0 18 . -0.887 3.252 -4.854 1.00 69.59 18 A 1 ATOM 127 O O . ILE A 0 18 . -3.810 2.906 -5.320 1.00 69.59 18 A 1 ATOM 128 C CG1 . ILE A 0 18 . 0.638 3.199 -5.096 1.00 69.59 18 A 1 ATOM 129 C CG2 . ILE A 0 18 . -1.175 3.156 -3.341 1.00 69.59 18 A 1 ATOM 130 C CD1 . ILE A 0 18 . 1.360 4.494 -4.750 1.00 69.59 18 A 1 ATOM 131 N N . MET A 0 19 . -3.472 0.694 -5.078 1.00 72.03 19 A 1 ATOM 132 C CA . MET A 0 19 . -4.818 0.389 -4.600 1.00 72.03 19 A 1 ATOM 133 C C . MET A 0 19 . -4.964 0.924 -3.172 1.00 72.03 19 A 1 ATOM 134 C CB . MET A 0 19 . -5.084 -1.122 -4.716 1.00 72.03 19 A 1 ATOM 135 O O . MET A 0 19 . -4.374 0.405 -2.226 1.00 72.03 19 A 1 ATOM 136 C CG . MET A 0 19 . -6.548 -1.485 -4.442 1.00 72.03 19 A 1 ATOM 137 S SD . MET A 0 19 . -6.943 -3.196 -4.893 1.00 72.03 19 A 1 ATOM 138 C CE . MET A 0 19 . -8.722 -3.229 -4.552 1.00 72.03 19 A 1 ATOM 139 N N . ARG A 0 20 . -5.724 2.012 -3.013 1.00 74.50 20 A 1 ATOM 140 C CA . ARG A 0 20 . -6.075 2.544 -1.692 1.00 74.50 20 A 1 ATOM 141 C C . ARG A 0 20 . -7.130 1.630 -1.072 1.00 74.50 20 A 1 ATOM 142 C CB . ARG A 0 20 . -6.577 3.995 -1.798 1.00 74.50 20 A 1 ATOM 143 O O . ARG A 0 20 . -8.281 1.652 -1.496 1.00 74.50 20 A 1 ATOM 144 C CG . ARG A 0 20 . -5.475 4.983 -2.210 1.00 74.50 20 A 1 ATOM 145 C CD . ARG A 0 20 . -6.038 6.409 -2.246 1.00 74.50 20 A 1 ATOM 146 N NE . ARG A 0 20 . -4.995 7.397 -2.581 1.00 74.50 20 A 1 ATOM 147 N NH1 . ARG A 0 20 . -6.385 9.143 -3.127 1.00 74.50 20 A 1 ATOM 148 N NH2 . ARG A 0 20 . -4.174 9.417 -3.233 1.00 74.50 20 A 1 ATOM 149 C CZ . ARG A 0 20 . -5.190 8.642 -2.976 1.00 74.50 20 A 1 ATOM 150 N N . PHE A 0 21 . -6.751 0.853 -0.064 1.00 79.19 21 A 1 ATOM 151 C CA . PHE A 0 21 . -7.708 0.137 0.778 1.00 79.19 21 A 1 ATOM 152 C C . PHE A 0 21 . -8.204 1.066 1.890 1.00 79.19 21 A 1 ATOM 153 C CB . PHE A 0 21 . -7.084 -1.153 1.321 1.00 79.19 21 A 1 ATOM 154 O O . PHE A 0 21 . -7.410 1.733 2.554 1.00 79.19 21 A 1 ATOM 155 C CG . PHE A 0 21 . -6.757 -2.160 0.235 1.00 79.19 21 A 1 ATOM 156 C CD1 . PHE A 0 21 . -7.745 -3.056 -0.219 1.00 79.19 21 A 1 ATOM 157 C CD2 . PHE A 0 21 . -5.471 -2.192 -0.338 1.00 79.19 21 A 1 ATOM 158 C CE1 . PHE A 0 21 . -7.441 -3.990 -1.225 1.00 79.19 21 A 1 ATOM 159 C CE2 . PHE A 0 21 . -5.169 -3.125 -1.344 1.00 79.19 21 A 1 ATOM 160 C CZ . PHE A 0 21 . -6.150 -4.030 -1.780 1.00 79.19 21 A 1 ATOM 161 N N . LYS A 0 22 . -9.524 1.122 2.096 1.00 80.65 22 A 1 ATOM 162 C CA . LYS A 0 22 . -10.136 1.819 3.234 1.00 80.65 22 A 1 ATOM 163 C C . LYS A 0 22 . -10.381 0.794 4.341 1.00 80.65 22 A 1 ATOM 164 C CB . LYS A 0 22 . -11.415 2.542 2.772 1.00 80.65 22 A 1 ATOM 165 O O . LYS A 0 22 . -11.220 -0.083 4.181 1.00 80.65 22 A 1 ATOM 166 C CG . LYS A 0 22 . -12.023 3.424 3.876 1.00 80.65 22 A 1 ATOM 167 C CD . LYS A 0 22 . -13.279 4.154 3.376 1.00 80.65 22 A 1 ATOM 168 C CE . LYS A 0 22 . -13.897 4.985 4.509 1.00 80.65 22 A 1 ATOM 169 N NZ . LYS A 0 22 . -15.164 5.639 4.091 1.00 80.65 22 A 1 ATOM 170 N N . CYS A 0 23 . -9.652 0.901 5.449 1.00 81.33 23 A 1 ATOM 171 C CA . CYS A 0 23 . -9.925 0.135 6.665 1.00 81.33 23 A 1 ATOM 172 C C . CYS A 0 23 . -10.994 0.874 7.483 1.00 81.33 23 A 1 ATOM 173 C CB . CYS A 0 23 . -8.609 -0.073 7.430 1.00 81.33 23 A 1 ATOM 174 O O . CYS A 0 23 . -10.936 2.097 7.622 1.00 81.33 23 A 1 ATOM 175 S SG . CYS A 0 23 . -8.882 -1.216 8.812 1.00 81.33 23 A 1 ATOM 176 N N . SER A 0 24 . -12.002 0.167 7.985 1.00 81.96 24 A 1 ATOM 177 C CA . SER A 0 24 . -13.000 0.716 8.907 1.00 81.96 24 A 1 ATOM 178 C C . SER A 0 24 . -13.129 -0.238 10.084 1.00 81.96 24 A 1 ATOM 179 C CB . SER A 0 24 . -14.337 0.963 8.195 1.00 81.96 24 A 1 ATOM 180 O O . SER A 0 24 . -13.376 -1.424 9.890 1.00 81.96 24 A 1 ATOM 181 O OG . SER A 0 24 . -14.122 1.983 7.229 1.00 81.96 24 A 1 ATOM 182 N N . VAL A 0 25 . -12.900 0.283 11.289 1.00 80.60 25 A 1 ATOM 183 C CA . VAL A 0 25 . -13.112 -0.450 12.539 1.00 80.60 25 A 1 ATOM 184 C C . VAL A 0 25 . -14.613 -0.474 12.796 1.00 80.60 25 A 1 ATOM 185 C CB . VAL A 0 25 . -12.346 0.194 13.713 1.00 80.60 25 A 1 ATOM 186 O O . VAL A 0 25 . -15.253 0.577 12.817 1.00 80.60 25 A 1 ATOM 187 C CG1 . VAL A 0 25 . -12.554 -0.577 15.021 1.00 80.60 25 A 1 ATOM 188 C CG2 . VAL A 0 25 . -10.837 0.234 13.424 1.00 80.60 25 A 1 ATOM 189 N N . ILE A 0 26 . -15.166 -1.671 12.937 1.00 79.30 26 A 1 ATOM 190 C CA . ILE A 0 26 . -16.536 -1.891 13.395 1.00 79.30 26 A 1 ATOM 191 C C . ILE A 0 26 . -16.450 -2.002 14.923 1.00 79.30 26 A 1 ATOM 192 C CB . ILE A 0 26 . -17.133 -3.139 12.703 1.00 79.30 26 A 1 ATOM 193 O O . ILE A 0 26 . -15.563 -2.699 15.414 1.00 79.30 26 A 1 ATOM 194 C CG1 . ILE A 0 26 . -17.115 -2.972 11.160 1.00 79.30 26 A 1 ATOM 195 C CG2 . ILE A 0 26 . -18.567 -3.390 13.201 1.00 79.30 26 A 1 ATOM 196 C CD1 . ILE A 0 26 . -17.467 -4.246 10.383 1.00 79.30 26 A 1 ATOM 197 N N . VAL A 0 27 . -17.291 -1.239 15.631 1.00 64.87 27 A 1 ATOM 198 C CA . VAL A 0 27 . -17.368 -1.193 17.107 1.00 64.87 27 A 1 ATOM 199 C C . VAL A 0 27 . -17.701 -2.564 17.679 1.00 64.87 27 A 1 ATOM 200 C CB . VAL A 0 27 . -18.401 -0.152 17.576 1.00 64.87 27 A 1 ATOM 201 O O . VAL A 0 27 . -18.570 -3.237 17.081 1.00 64.87 27 A 1 ATOM 202 C CG1 . VAL A 0 27 . -18.514 -0.080 19.104 1.00 64.87 27 A 1 ATOM 203 C CG2 . VAL A 0 27 . -18.014 1.250 17.083 1.00 64.87 27 A 1 ATOM 204 O OXT . VAL A 0 27 . -17.092 -2.868 18.725 1.00 64.87 27 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 69.63 # loop_ _atom_type.symbol C N O S #