{"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":2.32,"RMSD_recomputed_Kabsch":2.31749,"RMSD_under_USalign_TM_transform":2.530643,"TM_score_normalized_A":0.69124,"TM_score_normalized_B":0.6639,"aligned_fraction_A":0.881356,"aligned_fraction_B":0.83871,"aligned_length":52,"comparison_A":"3LLR:A:UP:Q9Y6K1:PWWP1","comparison_B":"3PMI:A:UP:Q2TAK8:PWWP1","conservative_display_comparable":1,"domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","gene_A":"DNMT3A","gene_B":"PWWP3A","least_squares_transform":"derived/Kabsch_transforms/DNMT3A_PWWP1__PWWP3A_PWWP1.json","length_A":59,"length_B":62,"raw_output":"derived/USalign_raw/DNMT3A_PWWP1__PWWP3A_PWWP1.txt","rotation_matrix":"derived/USalign_raw/DNMT3A_PWWP1__PWWP3A_PWWP1.matrix.txt","sequence_identity_aligned":0.231},"moving_pdb":"HEADER    DERIVED CA ANNOTATION CORE\nREMARK 900 3LLR:A:UP:Q9Y6K1: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 292      30.658   8.603 126.462  1.00 11.66           C  \nATOM      2  CA  GLY A 293      34.145  10.121 126.164  1.00 10.70           C  \nATOM      3  CA  GLU A 294      33.313  13.472 127.761  1.00  9.92           C  \nATOM      4  CA  LEU A 295      35.934  14.821 130.154  1.00  8.81           C  \nATOM      5  CA  VAL A 296      34.249  15.741 133.421  1.00  8.92           C  \nATOM      6  CA  TRP A 297      34.514  16.834 137.023  1.00  9.88           C  \nATOM      7  CA  GLY A 298      32.824  14.346 139.364  1.00 11.97           C  \nATOM      8  CA  LYS A 299      31.748  14.773 142.969  1.00 14.72           C  \nATOM      9  CA  LEU A 300      31.409  12.005 145.546  1.00 16.56           C  \nATOM     10  CA  ARG A 301      30.620  12.532 149.240  1.00 18.05           C  \nATOM     11  CA  GLY A 302      33.785  13.151 151.278  1.00 17.20           C  \nATOM     12  CA  PHE A 303      36.014  14.031 148.311  1.00 15.78           C  \nATOM     13  CA  SER A 304      36.797  17.121 146.214  1.00 13.71           C  \nATOM     14  CA  TRP A 305      35.601  17.536 142.622  1.00 11.30           C  \nATOM     15  CA  TRP A 306      37.802  15.083 140.719  1.00  9.44           C  \nATOM     16  CA  PRO A 307      38.754  14.815 137.014  1.00  8.92           C  \nATOM     17  CA  GLY A 308      37.308  11.858 135.092  1.00  8.62           C  \nATOM     18  CA  ARG A 309      35.926  10.681 131.770  1.00  9.42           C  \nATOM     19  CA  ILE A 310      32.547   9.142 130.968  1.00 10.62           C  \nATOM     20  CA  VAL A 311      32.851   5.503 129.901  1.00 12.73           C  \nATOM     21  CA  SER A 312      30.434   2.789 128.798  1.00 16.66           C  \nATOM     22  CA  TRP A 313      29.403   0.215 131.422  1.00 20.37           C  \nATOM     23  CA  TRP A 314      31.253  -2.626 129.650  1.00 23.95           C  \nATOM     24  CA  MET A 315      34.610  -0.872 130.208  1.00 25.92           C  \nATOM     25  CA  THR A 316      34.102  -1.063 133.978  1.00 26.55           C  \nATOM     26  CA  GLY A 317      33.704  -4.826 134.363  1.00 27.15           C  \nATOM     27  CA  ARG A 318      30.388  -4.133 136.103  1.00 27.16           C  \nATOM     28  CA  SER A 319      26.724  -3.555 135.124  1.00 26.36           C  \nATOM     29  CA  ARG A 320      24.648  -0.779 133.502  1.00 25.52           C  \nATOM     30  CA  ALA A 321      24.222   2.536 135.297  1.00 23.98           C  \nATOM     31  CA  ALA A 322      20.717   3.570 136.371  1.00 22.90           C  \nATOM     32  CA  GLU A 323      18.841   6.388 134.618  1.00 21.71           C  \nATOM     33  CA  GLY A 324      20.234   9.844 135.452  1.00 18.92           C  \nATOM     34  CA  THR A 325      23.662   8.386 136.303  1.00 16.23           C  \nATOM     35  CA  ARG A 326      26.958   7.775 134.499  1.00 13.71           C  \nATOM     36  CA  TRP A 327      29.980   5.519 134.804  1.00 12.15           C  \nATOM     37  CA  VAL A 328      33.074   7.657 135.227  1.00 10.55           C  \nATOM     38  CA  MET A 329      36.661   6.447 135.153  1.00  9.27           C  \nATOM     39  CA  TRP A 330      38.653   8.759 137.414  1.00  8.44           C  \nATOM     40  CA  PHE A 331      42.043  10.033 136.331  1.00  8.43           C  \nATOM     41  CA  GLY A 332      44.880   9.474 138.817  1.00  9.47           C  \nATOM     42  CA  ASP A 333      44.190   5.829 139.700  1.00 10.83           C  \nATOM     43  CA  GLY A 334      41.571   4.786 137.108  1.00 11.25           C  \nATOM     44  CA  LYS A 335      38.823   3.671 139.518  1.00 12.44           C  \nATOM     45  CA  PHE A 336      35.216   3.374 138.295  1.00 12.88           C  \nATOM     46  CA  SER A 337      32.146   4.914 139.949  1.00 13.58           C  \nATOM     47  CA  VAL A 338      28.454   5.415 139.219  1.00 14.00           C  \nATOM     48  CA  VAL A 339      27.792   9.158 139.578  1.00 14.62           C  \nATOM     49  CA  CYS A 340      24.476  11.052 139.267  0.50 15.09           C  \nATOM     50  CA  VAL A 341      24.475  13.767 136.584  1.00 15.22           C  \nATOM     51  CA  GLU A 342      23.728  16.327 139.335  1.00 15.28           C  \nATOM     52  CA  LYS A 343      27.238  15.610 140.653  1.00 14.55           C  \nATOM     53  CA  LEU A 344      28.845  16.038 137.220  1.00 13.53           C  \nATOM     54  CA  MET A 345      30.237  19.143 135.528  1.00 12.90           C  \nATOM     55  CA  PRO A 346      32.012  19.392 132.156  1.00 12.13           C  \nATOM     56  CA  LEU A 347      35.802  19.921 132.259  1.00 11.52           C  \nATOM     57  CA  SER A 348      35.177  23.484 131.013  1.00 12.18           C  \nATOM     58  CA  SER A 349      33.814  24.322 134.487  1.00 12.98           C  \nATOM     59  CA  PHE A 350      37.495  24.183 135.546  1.00 13.66           C  \nTER\nEND\n","residue_correspondence":[{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"I","residue_B":"V","uniprot_position_A":292,"uniprot_position_B":411},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"G","uniprot_position_A":293,"uniprot_position_B":412},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"E","residue_B":"M","uniprot_position_A":294,"uniprot_position_B":413},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"L","residue_B":"L","uniprot_position_A":295,"uniprot_position_B":414},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":296,"uniprot_position_B":415},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":297,"uniprot_position_B":416},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"H","uniprot_position_A":298,"uniprot_position_B":417},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"K","residue_B":"K","uniprot_position_A":299,"uniprot_position_B":418},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"L","residue_B":"H","uniprot_position_A":300,"uniprot_position_B":419},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"R","residue_B":"K","uniprot_position_A":301,"uniprot_position_B":420},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"K","uniprot_position_A":302,"uniprot_position_B":421},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"F","residue_B":"Y","uniprot_position_A":303,"uniprot_position_B":422},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"S","residue_B":"P","uniprot_position_A":304,"uniprot_position_B":423},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"F","uniprot_position_A":305,"uniprot_position_B":424},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":306,"uniprot_position_B":425},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"P","residue_B":"P","uniprot_position_A":307,"uniprot_position_B":426},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"A","uniprot_position_A":308,"uniprot_position_B":427},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"R","residue_B":"V","uniprot_position_A":309,"uniprot_position_B":428},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"I","residue_B":"V","uniprot_position_A":310,"uniprot_position_B":429},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"V","residue_B":"K","uniprot_position_A":311,"uniprot_position_B":430},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"S","residue_B":"S","uniprot_position_A":312,"uniprot_position_B":431},{"USalign_marker":".","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"V","uniprot_position_A":313,"uniprot_position_B":432},{"USalign_marker":".","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"R","residue_B":"R","uniprot_position_A":320,"uniprot_position_B":433},{"USalign_marker":".","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"A","residue_B":"R","uniprot_position_A":322,"uniprot_position_B":435},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"E","residue_B":"D","uniprot_position_A":323,"uniprot_position_B":436},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"G","residue_B":"K","uniprot_position_A":324,"uniprot_position_B":437},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"T","residue_B":"K","uniprot_position_A":325,"uniprot_position_B":438},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"R","residue_B":"A","uniprot_position_A":326,"uniprot_position_B":439},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"W","residue_B":"S","uniprot_position_A":327,"uniprot_position_B":440},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TAK8:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":328,"uniprot_position_B":441},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q2TA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