{"fixed_pdb":"HEADER    DERIVED CA ANNOTATION CORE\nREMARK 900 3PMI:A:UP:Q2TAK8:PWWP1\nREMARK 900 Canonical UniProt numbering; first model; positive occupancy.\nREMARK 900 Derived from wwPDB CC0 coordinates. Not a receptor preparation.\nATOM      1  CA  VAL A 411      31.376   7.768 127.032  1.00 56.93           C  \nATOM      2  CA  GLY A 412      35.021   8.975 127.115  1.00 50.54           C  \nATOM      3  CA  MSE A 413      34.021  12.530 128.031  1.00 51.66           C  \nATOM      4  CA  LEU A 414      35.918  14.460 130.742  1.00 43.53           C  \nATOM      5  CA  VAL A 415      33.898  15.386 133.826  1.00 43.63           C  \nATOM      6  CA  TRP A 416      34.210  16.548 137.444  1.00 44.81           C  \nATOM      7  CA  HIS A 417      33.001  14.471 140.401  1.00 51.73           C  \nATOM      8  CA  LYS A 418      32.884  15.252 144.169  1.00 62.27           C  \nATOM      9  CA  HIS A 419      33.126  12.472 146.750  1.00 74.80           C  \nATOM     10  CA  LYS A 420      31.811  13.591 150.144  1.00 88.67           C  \nATOM     11  CA  LYS A 421      34.403  15.591 152.182  1.00 87.85           C  \nATOM     12  CA  TYR A 422      36.468  15.910 148.976  1.00 69.04           C  \nATOM     13  CA  PRO A 423      36.696  18.589 146.278  1.00 55.63           C  \nATOM     14  CA  PHE A 424      35.495  18.097 142.709  1.00 47.45           C  \nATOM     15  CA  TRP A 425      38.048  16.041 140.853  1.00 42.32           C  \nATOM     16  CA  PRO A 426      38.332  15.405 137.138  1.00 37.70           C  \nATOM     17  CA  ALA A 427      37.367  12.001 135.703  1.00 37.70           C  \nATOM     18  CA  VAL A 428      36.551  10.155 132.510  1.00 40.35           C  \nATOM     19  CA  VAL A 429      33.198   8.546 131.709  1.00 47.92           C  \nATOM     20  CA  LYS A 430      33.263   4.760 131.036  1.00 56.10           C  \nATOM     21  CA  SER A 431      29.588   3.732 131.201  1.00 69.57           C  \nATOM     22  CA  VAL A 432      26.500   5.886 130.870  1.00 72.69           C  \nATOM     23  CA  ARG A 433      23.035   4.633 131.758  1.00 86.99           C  \nATOM     24  CA  GLN A 434      21.460   7.497 129.740  1.00 89.32           C  \nATOM     25  CA  ARG A 435      17.836   6.396 130.108  1.00103.86           C  \nATOM     26  CA  ASP A 436      17.902   6.257 133.955  1.00103.38           C  \nATOM     27  CA  LYS A 437      20.053   9.094 135.367  1.00 94.70           C  \nATOM     28  CA  LYS A 438      23.285   7.214 136.303  1.00 81.95           C  \nATOM     29  CA  ALA A 439      26.817   6.907 134.830  1.00 66.36           C  \nATOM     30  CA  SER A 440      30.152   5.207 135.457  1.00 59.46           C  \nATOM     31  CA  VAL A 441      33.314   7.149 135.910  1.00 49.21           C  \nATOM     32  CA  LEU A 442      37.007   6.829 136.703  1.00 45.85           C  \nATOM     33  CA  TYR A 443      39.189   9.488 138.304  1.00 42.30           C  \nATOM     34  CA  ILE A 444      42.060  10.935 136.321  1.00 41.06           C  \nATOM     35  CA  GLU A 445      45.096  11.035 138.592  1.00 42.91           C  \nATOM     36  CA  GLY A 446      48.890  10.919 138.199  1.00 41.26           C  \nATOM     37  CA  HIS A 447      49.166   7.208 138.701  1.00 45.35           C  \nATOM     38  CA  MSE A 448      46.064   5.369 137.669  1.00 48.31           C  \nATOM     39  CA  ASN A 449      44.995   2.073 136.214  1.00 56.56           C  \nATOM     40  CA  PRO A 450      43.030   2.935 133.044  1.00 57.98           C  \nATOM     41  CA  LYS A 451      41.570  -0.595 133.066  1.00 70.50           C  \nATOM     42  CA  MSE A 452      40.140  -0.403 136.601  1.00 77.64           C  \nATOM     43  CA  LYS A 453      36.329  -0.588 136.211  1.00 81.56           C  \nATOM     44  CA  GLY A 454      34.294   2.601 136.723  1.00 73.65           C  \nATOM     45  CA  PHE A 455      32.597   3.232 140.090  1.00 69.38           C  \nATOM     46  CA  THR A 456      28.939   4.326 139.913  1.00 66.48           C  \nATOM     47  CA  VAL A 457      27.645   7.922 140.072  1.00 60.97           C  \nATOM     48  CA  SER A 458      24.525   9.809 138.966  1.00 64.99           C  \nATOM     49  CA  LEU A 459      24.363  12.191 135.987  1.00 63.60           C  \nATOM     50  CA  LYS A 460      23.096  14.967 138.279  1.00 64.41           C  \nATOM     51  CA  SER A 461      26.370  14.947 140.240  1.00 57.69           C  \nATOM     52  CA  LEU A 462      28.652  15.442 137.209  1.00 51.15           C  \nATOM     53  CA  LYS A 463      29.921  18.765 135.904  1.00 50.05           C  \nATOM     54  CA  HIS A 464      31.455  18.798 132.421  1.00 49.10           C  \nATOM     55  CA  PHE A 465      35.190  19.405 132.586  1.00 46.34           C  \nATOM     56  CA  ASP A 466      34.908  22.540 130.504  1.00 54.47           C  \nATOM     57  CA  CYS A 467      32.052  24.130 132.456  1.00 60.87           C  \nATOM     58  CA  LYS A 468      32.044  27.795 133.538  1.00 67.26           C  \nATOM     59  CA  GLU A 469      33.055  26.727 137.094  1.00 62.64           C  \nATOM     60  CA  LYS A 470      36.354  25.210 135.856  1.00 54.47           C  \nATOM     61  CA  GLN A 471      38.835  27.787 137.174  1.00 56.34           C  \nATOM     62  CA  THR A 472      37.127  27.891 140.590  1.00 55.53           C  \nTER\nEND\n","metadata":{"RMSD_USalign":2.0,"RMSD_recomputed_Kabsch":2.000424,"RMSD_under_USalign_TM_transform":2.138678,"TM_score_normalized_A":0.69929,"TM_score_normalized_B":0.67111,"aligned_fraction_A":0.864407,"aligned_fraction_B":0.822581,"aligned_length":51,"comparison_A":"5NRR:A:UP:Q9UBC3:PWWP1","comparison_B":"3PMI:A:UP:Q2TAK8:PWWP1","conservative_display_comparable":1,"domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","gene_A":"DNMT3B","gene_B":"PWWP3A","least_squares_transform":"derived/Kabsch_transforms/DNMT3B_PWWP1__PWWP3A_PWWP1.json","length_A":59,"length_B":62,"raw_output":"derived/USalign_raw/DNMT3B_PWWP1__PWWP3A_PWWP1.txt","rotation_matrix":"derived/USalign_raw/DNMT3B_PWWP1__PWWP3A_PWWP1.matrix.txt","sequence_identity_aligned":0.294},"moving_pdb":"HEADER    DERIVED CA ANNOTATION CORE\nREMARK 900 5NRR:A:UP:Q9UBC3:PWWP1\nREMARK 900 Canonical UniProt numbering; first model; positive occupancy.\nREMARK 900 Derived from wwPDB CC0 coordinates. Not a receptor preparation.\nATOM      1  CA  ILE A 225      30.510   8.402 126.794  1.00 28.64           C  \nATOM      2  CA  GLY A 226      33.915  10.055 126.416  1.00 29.11           C  \nATOM      3  CA  ASP A 227      32.965  13.370 128.056  1.00 27.18           C  \nATOM      4  CA  LEU A 228      35.611  14.884 130.350  1.00 29.33           C  \nATOM      5  CA  VAL A 229      34.017  15.857 133.656  1.00 27.52           C  \nATOM      6  CA  TRP A 230      34.501  16.823 137.241  1.00 25.93           C  \nATOM      7  CA  GLY A 231      32.760  14.398 139.590  1.00 27.24           C  \nATOM      8  CA  LYS A 232      31.778  14.897 143.211  1.00 30.04           C  \nATOM      9  CA  ILE A 233      31.798  12.092 145.784  0.57 39.14           C  \nATOM     10  CA  LYS A 234      31.019  12.890 149.426  1.00 49.53           C  \nATOM     11  CA  GLY A 235      34.363  13.158 151.255  1.00 53.29           C  \nATOM     12  CA  PHE A 236      36.339  14.286 148.206  1.00 39.84           C  \nATOM     13  CA  SER A 237      37.011  17.468 146.280  1.00 29.39           C  \nATOM     14  CA  TRP A 238      35.555  17.696 142.783  1.00 26.11           C  \nATOM     15  CA  TRP A 239      37.806  15.305 140.836  1.00 25.03           C  \nATOM     16  CA  PRO A 240      38.505  14.916 137.100  1.00 24.98           C  \nATOM     17  CA  ALA A 241      37.195  11.867 135.245  1.00 26.21           C  \nATOM     18  CA  MET A 242      36.007  10.520 131.903  1.00 24.11           C  \nATOM     19  CA  VAL A 243      32.477   9.175 131.320  1.00 28.01           C  \nATOM     20  CA  VAL A 244      32.740   5.507 130.250  1.00 26.41           C  \nATOM     21  CA  SER A 245      30.327   2.770 129.167  1.00 27.54           C  \nATOM     22  CA  TRP A 246      29.356   0.258 131.842  1.00 31.13           C  \nATOM     23  CA  LYS A 247      31.001  -2.326 129.589  1.00 34.91           C  \nATOM     24  CA  ALA A 248      34.379  -0.815 130.469  1.00 34.77           C  \nATOM     25  CA  THR A 249      33.859  -1.249 134.202  1.00 34.97           C  \nATOM     26  CA  SER A 250      33.472  -5.014 134.846  1.00 42.89           C  \nATOM     27  CA  LYS A 251      30.481  -4.105 136.994  1.00 35.37           C  \nATOM     28  CA  ARG A 252      26.853  -3.546 135.941  1.00 38.54           C  \nATOM     29  CA  GLN A 253      24.673  -1.104 134.019  1.00 30.60           C  \nATOM     30  CA  ALA A 254      24.436   2.319 135.674  1.00 27.04           C  \nATOM     31  CA  MET A 255      21.078   3.248 137.220  1.00 32.63           C  \nATOM     32  CA  SER A 256      18.989   5.685 135.163  1.00 37.46           C  \nATOM     33  CA  GLY A 257      20.177   9.224 135.881  1.00 41.59           C  \nATOM     34  CA  MET A 258      23.694   8.027 136.749  1.00 30.14           C  \nATOM     35  CA  ARG A 259      26.908   7.588 134.744  1.00 27.84           C  \nATOM     36  CA  TRP A 260      29.954   5.400 135.099  1.00 25.75           C  \nATOM     37  CA  VAL A 261      33.120   7.509 135.271  1.00 27.21           C  \nATOM     38  CA  GLN A 262      36.784   6.566 135.372  1.00 23.57           C  \nATOM     39  CA  TRP A 263      38.878   8.877 137.575  1.00 25.50           C  \nATOM     40  CA  PHE A 264      42.037  10.438 136.198  1.00 26.92           C  \nATOM     41  CA  GLY A 265      45.144   9.578 138.196  1.00 32.96           C  \nATOM     42  CA  ASP A 266      43.960   6.277 139.652  1.00 31.67           C  \nATOM     43  CA  GLY A 267      41.887   4.695 136.863  1.00 28.74           C  \nATOM     44  CA  LYS A 268      39.145   3.515 139.198  1.00 29.92           C  \nATOM     45  CA  PHE A 269      35.446   3.373 138.249  1.00 25.61           C  \nATOM     46  CA  SER A 270      32.523   4.971 140.092  1.00 30.26           C  \nATOM     47  CA  GLU A 271      28.814   5.208 139.442  1.00 27.97           C  \nATOM     48  CA  VAL A 272      27.972   8.920 139.854  1.00 29.56           C  \nATOM     49  CA  SER A 273      24.717  10.859 139.548  1.00 32.58           C  \nATOM     50  CA  ALA A 274      24.563  13.183 136.554  1.00 34.34           C  \nATOM     51  CA  ASP A 275      23.638  15.855 139.139  1.00 40.36           C  \nATOM     52  CA  LYS A 276      27.082  15.344 140.693  1.00 33.21           C  \nATOM     53  CA  LEU A 277      28.934  15.753 137.354  1.00 33.61           C  \nATOM     54  CA  VAL A 278      29.899  18.938 135.485  1.00 29.91           C  \nATOM     55  CA  ALA A 279      31.929  19.534 132.304  1.00 30.69           C  \nATOM     56  CA  LEU A 280      35.712  19.604 132.875  1.00 26.34           C  \nATOM     57  CA  GLY A 281      35.667  22.791 130.788  1.00 30.51           C  \nATOM     58  CA  LEU A 282      34.161  24.586 133.786  1.00 33.69           C  \nATOM     59  CA  PHE A 283      37.683  24.452 135.153  1.00 27.32           C  \nTER\nEND\n","residue_correspondence":[{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"I","residue_B":"V","uniprot_position_A":225,"uniprot_position_B":411},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"G","uniprot_position_A":226,"uniprot_position_B":412},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"D","residue_B":"M","uniprot_position_A":227,"uniprot_position_B":413},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"L","residue_B":"L","uniprot_position_A":228,"uniprot_position_B":414},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":229,"uniprot_position_B":415},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":230,"uniprot_position_B":416},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"H","uniprot_position_A":231,"uniprot_position_B":417},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"K","residue_B":"K","uniprot_position_A":232,"uniprot_position_B":418},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"I","residue_B":"H","uniprot_position_A":233,"uniprot_position_B":419},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"K","residue_B":"K","uniprot_position_A":234,"uniprot_position_B":420},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"K","uniprot_position_A":235,"uniprot_position_B":421},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"F","residue_B":"Y","uniprot_position_A":236,"uniprot_position_B":422},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"S","residue_B":"P","uniprot_position_A":237,"uniprot_position_B":423},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"F","uniprot_position_A":238,"uniprot_position_B":424},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":239,"uniprot_position_B":425},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"P","residue_B":"P","uniprot_position_A":240,"uniprot_position_B":426},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"A","residue_B":"A","uniprot_position_A":241,"uniprot_position_B":427},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"M","residue_B":"V","uniprot_position_A":242,"uniprot_position_B":428},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":243,"uniprot_position_B":429},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"V","residue_B":"K","uniprot_position_A":244,"uniprot_position_B":430},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"S","residue_B":"S","uniprot_position_A":245,"uniprot_position_B":431},{"USalign_marker":".","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"V","uniprot_position_A":246,"uniprot_position_B":432},{"USalign_marker":".","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"Q","residue_B":"R","uniprot_position_A":253,"uniprot_position_B":433},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"S","residue_B":"D","uniprot_position_A":256,"uniprot_position_B":436},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"K","uniprot_position_A":257,"uniprot_position_B":437},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"M","residue_B":"K","uniprot_position_A":258,"uniprot_position_B":438},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"R","residue_B":"A","uniprot_position_A":259,"uniprot_position_B":439},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"S","uniprot_position_A":260,"uniprot_position_B":440},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":261,"uniprot_position_B":441},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"Q","residue_B":"L","uniprot_position_A":262,"uniprot_position_B":442},{"USalign_marker":":","domain_A":"UP:Q9UBC3:PWWP1","domain_B":"UP:Q2TA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