{"fixed_pdb":"HEADER    DERIVED CA ANNOTATION CORE\nREMARK 900 4LD6:A:UP:Q6NUJ5: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 490       6.922   3.526  31.758  1.00 11.94           C  \nATOM      2  CA  GLY A 491       7.478   5.909  34.693  1.00 11.04           C  \nATOM      3  CA  ASP A 492       4.129   5.139  36.311  1.00 12.05           C  \nATOM      4  CA  ILE A 493       3.682   4.165  39.951  0.70 12.43           C  \nATOM      5  CA  VAL A 494       2.093   0.740  40.595  1.00 11.01           C  \nATOM      6  CA  TRP A 495       1.431  -1.810  43.305  1.00 10.39           C  \nATOM      7  CA  GLY A 496       3.435  -4.976  42.653  1.00  9.86           C  \nATOM      8  CA  LYS A 497       3.204  -8.445  44.127  1.00  9.98           C  \nATOM      9  CA  ILE A 498       5.945 -10.980  44.884  1.00 11.58           C  \nATOM     10  CA  HIS A 499       5.957 -13.994  47.156  1.00 16.00           C  \nATOM     11  CA  GLY A 500       6.602 -13.329  50.805  1.00 17.18           C  \nATOM     12  CA  PHE A 501       5.792  -9.608  50.698  1.00 15.10           C  \nATOM     13  CA  PRO A 502       2.629  -7.571  50.811  1.00 11.80           C  \nATOM     14  CA  TRP A 503       1.596  -5.608  47.703  1.00  9.91           C  \nATOM     15  CA  TRP A 504       4.360  -2.981  47.454  1.00  9.50           C  \nATOM     16  CA  PRO A 505       4.759   0.279  45.552  1.00 10.28           C  \nATOM     17  CA  ALA A 506       7.051   0.394  42.513  1.00 10.09           C  \nATOM     18  CA  ARG A 507       8.061   2.485  39.520  0.50 10.97           C  \nATOM     19  CA  VAL A 508       7.683   0.980  36.017  1.00 10.63           C  \nATOM     20  CA  LEU A 509      11.004   0.916  34.094  1.00 11.62           C  \nATOM     21  CA  ASP A 510      10.016  -1.185  31.052  1.00 13.43           C  \nATOM     22  CA  ILE A 511       7.129  -3.245  29.694  1.00 12.11           C  \nATOM     23  CA  SER A 512       7.549  -6.364  27.540  0.70 14.53           C  \nATOM     24  CA  LEU A 513       4.833  -8.190  25.521  1.00 17.22           C  \nATOM     25  CA  GLY A 514       5.043 -11.757  24.273  1.00 19.10           C  \nATOM     26  CA  GLN A 515       5.140 -12.217  20.461  1.00 23.64           C  \nATOM     27  CA  LYS A 516       3.882 -15.079  18.304  0.50 27.40           C  \nATOM     28  CA  GLU A 517       7.233 -16.973  17.843  0.50 29.07           C  \nATOM     29  CA  ASP A 518       7.896 -16.994  21.640  1.00 22.69           C  \nATOM     30  CA  GLY A 519       7.464 -20.044  23.862  1.00 18.01           C  \nATOM     31  CA  GLU A 520       4.669 -18.164  25.641  1.00 16.46           C  \nATOM     32  CA  PRO A 521       3.230 -15.500  23.287  1.00 17.88           C  \nATOM     33  CA  SER A 522       0.595 -14.378  25.812  1.00 19.39           C  \nATOM     34  CA  TRP A 523       2.984 -13.532  28.625  1.00 14.97           C  \nATOM     35  CA  ARG A 524       3.399  -9.886  29.470  1.00 13.43           C  \nATOM     36  CA  GLU A 525       5.566  -8.308  32.101  1.00 12.01           C  \nATOM     37  CA  ALA A 526       7.097  -5.139  33.478  1.00 10.18           C  \nATOM     38  CA  LYS A 527      10.460  -4.383  34.982  1.00 10.76           C  \nATOM     39  CA  VAL A 528       9.871  -2.353  38.131  1.00 11.03           C  \nATOM     40  CA  SER A 529      11.939  -0.546  40.761  1.00 12.16           C  \nATOM     41  CA  TRP A 530      10.466  -0.922  44.244  1.00 10.75           C  \nATOM     42  CA  PHE A 531      10.129   2.171  46.423  1.00 12.30           C  \nATOM     43  CA  GLY A 532      11.879   2.116  49.799  1.00 17.79           C  \nATOM     44  CA  SER A 533      14.038  -0.657  48.395  1.00 18.43           C  \nATOM     45  CA  PRO A 534      17.251  -1.344  46.450  1.00 17.12           C  \nATOM     46  CA  THR A 535      15.667  -4.080  44.295  1.00 13.21           C  \nATOM     47  CA  THR A 536      14.419  -4.257  40.687  0.60 11.69           C  \nATOM     48  CA  SER A 537      12.083  -7.069  39.606  1.00 10.89           C  \nATOM     49  CA  PHE A 538      10.183  -8.462  36.671  1.00 11.43           C  \nATOM     50  CA  LEU A 539       6.437  -8.738  37.296  1.00 10.30           C  \nATOM     51  CA  SER A 540       3.764 -10.310  35.147  1.00  9.21           C  \nATOM     52  CA  ILE A 541       1.267  -7.513  34.317  1.00  9.88           C  \nATOM     53  CA  SER A 542      -1.163  -9.674  36.303  1.00 10.45           C  \nATOM     54  CA  LYS A 543       1.024  -9.030  39.405  1.00 11.47           C  \nATOM     55  CA  LEU A 544       0.745  -5.265  39.265  1.00 11.86           C  \nATOM     56  CA  SER A 545      -2.044  -2.676  39.508  0.50 11.81           C  \nATOM     57  CA  PRO A 546      -2.306   1.111  39.282  1.00 12.95           C  \nATOM     58  CA  PHE A 547      -1.254   2.787  42.502  1.00 13.09           C  \nATOM     59  CA  SER A 548      -4.020   5.328  43.095  1.00 14.68           C  \nATOM     60  CA  GLU A 549      -6.987   3.258  42.146  1.00 16.56           C  \nATOM     61  CA  PHE A 550      -5.879   0.331  44.305  1.00 13.21           C  \nTER\nEND\n","metadata":{"RMSD_USalign":1.85,"RMSD_recomputed_Kabsch":1.849845,"RMSD_under_USalign_TM_transform":1.935312,"TM_score_normalized_A":0.75258,"TM_score_normalized_B":0.73061,"aligned_fraction_A":0.881356,"aligned_fraction_B":0.852459,"aligned_length":52,"comparison_A":"3LLR:A:UP:Q9Y6K1:PWWP1","comparison_B":"4LD6:A:UP:Q6NUJ5:PWWP1","conservative_display_comparable":1,"domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","gene_A":"DNMT3A","gene_B":"PWWP2B","least_squares_transform":"derived/Kabsch_transforms/DNMT3A_PWWP1__PWWP2B_PWWP1.json","length_A":59,"length_B":61,"raw_output":"derived/USalign_raw/DNMT3A_PWWP1__PWWP2B_PWWP1.txt","rotation_matrix":"derived/USalign_raw/DNMT3A_PWWP1__PWWP2B_PWWP1.matrix.txt","sequence_identity_aligned":0.404},"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       6.652   3.466  31.522  1.00 11.66           C  \nATOM      2  CA  GLY A 293       6.563   5.897  34.460  1.00 10.70           C  \nATOM      3  CA  GLU A 294       3.291   4.667  35.962  1.00  9.92           C  \nATOM      4  CA  LEU A 295       3.249   4.396  39.749  1.00  8.81           C  \nATOM      5  CA  VAL A 296       2.025   0.943  40.715  1.00  8.92           C  \nATOM      6  CA  TRP A 297       1.415  -1.667  43.370  1.00  9.88           C  \nATOM      7  CA  GLY A 298       3.251  -4.914  42.583  1.00 11.97           C  \nATOM      8  CA  LYS A 299       2.742  -8.382  44.016  1.00 14.72           C  \nATOM      9  CA  LEU A 300       5.371 -11.110  44.259  1.00 16.56           C  \nATOM     10  CA  ARG A 301       4.887 -14.475  45.990  1.00 18.05           C  \nATOM     11  CA  GLY A 302       5.694 -14.269  49.712  1.00 17.20           C  \nATOM     12  CA  PHE A 303       5.494 -10.468  49.962  1.00 15.78           C  \nATOM     13  CA  SER A 304       2.777  -7.830  50.437  1.00 13.71           C  \nATOM     14  CA  TRP A 305       1.644  -5.507  47.640  1.00 11.30           C  \nATOM     15  CA  TRP A 306       4.587  -3.120  47.291  1.00  9.44           C  \nATOM     16  CA  PRO A 307       4.894   0.385  45.767  1.00  8.92           C  \nATOM     17  CA  GLY A 308       6.905   0.671  42.542  1.00  8.62           C  \nATOM     18  CA  ARG A 309       7.188   2.417  39.194  1.00  9.42           C  \nATOM     19  CA  ILE A 310       7.247   0.937  35.696  1.00 10.62           C  \nATOM     20  CA  VAL A 311      10.625   1.396  34.006  1.00 12.73           C  \nATOM     21  CA  SER A 312      12.108   0.512  30.624  1.00 16.66           C  \nATOM     22  CA  TRP A 313      14.298  -2.610  30.454  1.00 20.37           C  \nATOM     23  CA  TRP A 314      17.475  -0.589  29.784  1.00 23.95           C  \nATOM     24  CA  MET A 315      17.190   1.111  33.202  1.00 25.92           C  \nATOM     25  CA  THR A 316      17.480  -2.272  34.926  1.00 26.55           C  \nATOM     26  CA  GLY A 317      20.823  -3.408  33.511  1.00 27.15           C  \nATOM     27  CA  ARG A 318      19.060  -6.565  32.318  1.00 27.16           C  \nATOM     28  CA  SER A 319      17.046  -7.722  29.263  1.00 26.36           C  \nATOM     29  CA  ARG A 320      13.565  -7.117  27.794  1.00 25.52           C  \nATOM     30  CA  ALA A 321      10.498  -8.288  29.696  1.00 23.98           C  \nATOM     31  CA  ALA A 322       8.294 -10.955  28.101  1.00 22.90           C  \nATOM     32  CA  GLU A 323       4.840 -10.125  26.718  1.00 21.71           C  \nATOM     33  CA  GLY A 324       2.260  -9.475  29.458  1.00 18.92           C  \nATOM     34  CA  THR A 325       4.982  -8.487  31.950  1.00 16.23           C  \nATOM     35  CA  ARG A 326       6.657  -5.275  33.122  1.00 13.71           C  \nATOM     36  CA  TRP A 327       9.914  -4.196  34.717  1.00 12.15           C  \nATOM     37  CA  VAL A 328       9.164  -2.473  38.001  1.00 10.55           C  \nATOM     38  CA  MET A 329      11.644  -0.603  40.168  1.00  9.27           C  \nATOM     39  CA  TRP A 330      10.462  -0.963  43.760  1.00  8.44           C  \nATOM     40  CA  PHE A 331      10.497   2.014  46.088  1.00  8.43           C  \nATOM     41  CA  GLY A 332      12.300   1.485  49.406  1.00  9.47           C  \nATOM     42  CA  ASP A 333      15.463  -0.200  48.104  1.00 10.83           C  \nATOM     43  CA  GLY A 334      15.210   0.282  44.314  1.00 11.25           C  \nATOM     44  CA  LYS A 335      15.382  -3.392  43.278  1.00 12.44           C  \nATOM     45  CA  PHE A 336      14.176  -4.458  39.812  1.00 12.88           C  \nATOM     46  CA  SER A 337      11.720  -7.273  39.053  1.00 13.58           C  \nATOM     47  CA  VAL A 338       9.788  -8.659  36.094  1.00 14.00           C  \nATOM     48  CA  VAL A 339       6.119  -8.725  37.149  1.00 14.62           C  \nATOM     49  CA  CYS A 340       3.082 -10.021  35.205  0.50 15.09           C  \nATOM     50  CA  VAL A 341       0.363  -7.404  34.632  1.00 15.22           C  \nATOM     51  CA  GLU A 342      -2.053  -9.652  36.577  1.00 15.28           C  \nATOM     52  CA  LYS A 343       0.058  -8.880  39.663  1.00 14.55           C  \nATOM     53  CA  LEU A 344      -0.003  -5.120  39.026  1.00 13.53           C  \nATOM     54  CA  MET A 345      -2.468  -2.469  40.187  1.00 12.90           C  \nATOM     55  CA  PRO A 346      -2.295   1.307  39.644  1.00 12.13           C  \nATOM     56  CA  LEU A 347      -1.323   3.423  42.683  1.00 11.52           C  \nATOM     57  CA  SER A 348      -4.944   4.656  42.778  1.00 12.18           C  \nATOM     58  CA  SER A 349      -5.952   1.201  44.071  1.00 12.98           C  \nATOM     59  CA  PHE A 350      -4.329   2.371  47.341  1.00 13.66           C  \nTER\nEND\n","residue_correspondence":[{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"I","residue_B":"V","uniprot_position_A":292,"uniprot_position_B":490},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"G","residue_B":"G","uniprot_position_A":293,"uniprot_position_B":491},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"E","residue_B":"D","uniprot_position_A":294,"uniprot_position_B":492},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"L","residue_B":"I","uniprot_position_A":295,"uniprot_position_B":493},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":296,"uniprot_position_B":494},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":297,"uniprot_position_B":495},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"G","residue_B":"G","uniprot_position_A":298,"uniprot_position_B":496},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"K","residue_B":"K","uniprot_position_A":299,"uniprot_position_B":497},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"L","residue_B":"I","uniprot_position_A":300,"uniprot_position_B":498},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"R","residue_B":"H","uniprot_position_A":301,"uniprot_position_B":499},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"G","residue_B":"G","uniprot_position_A":302,"uniprot_position_B":500},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"F","residue_B":"F","uniprot_position_A":303,"uniprot_position_B":501},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"S","residue_B":"P","uniprot_position_A":304,"uniprot_position_B":502},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":305,"uniprot_position_B":503},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":306,"uniprot_position_B":504},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"P","residue_B":"P","uniprot_position_A":307,"uniprot_position_B":505},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"G","residue_B":"A","uniprot_position_A":308,"uniprot_position_B":506},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"R","residue_B":"R","uniprot_position_A":309,"uniprot_position_B":507},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"I","residue_B":"V","uniprot_position_A":310,"uniprot_position_B":508},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"V","residue_B":"L","uniprot_position_A":311,"uniprot_position_B":509},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"S","residue_B":"D","uniprot_position_A":312,"uniprot_position_B":510},{"USalign_marker":".","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"W","residue_B":"I","uniprot_position_A":313,"uniprot_position_B":511},{"USalign_marker":".","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"A","residue_B":"S","uniprot_position_A":321,"uniprot_position_B":512},{"USalign_marker":".","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"A","residue_B":"L","uniprot_position_A":322,"uniprot_position_B":513},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"E","residue_B":"G","uniprot_position_A":323,"uniprot_position_B":514},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"G","residue_B":"R","uniprot_position_A":324,"uniprot_position_B":524},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"T","residue_B":"E","uniprot_position_A":325,"uniprot_position_B":525},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"R","residue_B":"A","uniprot_position_A":326,"uniprot_position_B":526},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"W","residue_B":"K","uniprot_position_A":327,"uniprot_position_B":527},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NUJ5:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":328,"uniprot_position_B":528},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:Q6NU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