{"fixed_pdb":"HEADER    DERIVED CA ANNOTATION CORE\nREMARK 900 9FOC:A:UP:O96028: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 222      11.993  51.711 115.640  1.00 17.79           C  \nATOM      2  CA  GLY A 223       9.254  54.271 116.456  1.00 15.83           C  \nATOM      3  CA  ASP A 224       9.299  53.622 120.211  1.00 15.78           C  \nATOM      4  CA  LEU A 225       9.237  56.763 122.370  1.00 14.76           C  \nATOM      5  CA  VAL A 226      11.935  56.911 125.049  1.00 16.30           C  \nATOM      6  CA  TRP A 227      13.554  59.369 127.457  1.00 17.89           C  \nATOM      7  CA  SER A 228      17.369  59.428 126.806  1.00 18.22           C  \nATOM      8  CA  LYS A 229      20.097  60.650 129.157  1.00 21.68           C  \nATOM      9  CA  VAL A 230      23.183  62.218 127.545  1.00 26.20           C  \nATOM     10  CA  SER A 231      25.968  63.821 129.656  1.00 31.48           C  \nATOM     11  CA  GLY A 232      25.369  67.517 130.242  1.00 31.57           C  \nATOM     12  CA  TYR A 233      21.690  67.371 129.237  1.00 27.40           C  \nATOM     13  CA  PRO A 234      18.535  66.678 131.225  1.00 25.63           C  \nATOM     14  CA  TRP A 235      16.476  63.484 130.420  1.00 24.00           C  \nATOM     15  CA  TRP A 236      15.189  64.269 126.880  1.00 18.54           C  \nATOM     16  CA  PRO A 237      12.212  62.964 124.802  1.00 15.23           C  \nATOM     17  CA  CYS A 238      13.350  60.817 121.842  1.00 13.28           C  \nATOM     18  CA  MET A 239      12.184  58.259 119.298  1.00 12.32           C  \nATOM     19  CA  VAL A 240      14.135  55.078 118.451  1.00 11.88           C  \nATOM     20  CA  SER A 241      15.130  55.109 114.795  1.00 14.62           C  \nATOM     21  CA  ALA A 242      17.379  53.549 112.122  1.00 18.36           C  \nATOM     22  CA  ASP A 243      20.920  54.993 111.842  1.00 19.53           C  \nATOM     23  CA  PRO A 244      21.312  56.678 108.380  1.00 26.52           C  \nATOM     24  CA  LEU A 245      24.673  55.007 107.617  1.00 30.29           C  \nATOM     25  CA  LEU A 246      24.313  51.560 109.184  1.00 30.67           C  \nATOM     26  CA  HIS A 247      20.540  51.169 108.639  1.00 30.99           C  \nATOM     27  CA  SER A 248      20.406  49.487 112.093  1.00 24.61           C  \nATOM     28  CA  TYR A 249      18.632  50.706 115.285  1.00 18.20           C  \nATOM     29  CA  THR A 250      20.438  48.453 117.819  1.00 17.69           C  \nATOM     30  CA  LYS A 251      24.002  47.139 118.259  1.00 18.98           C  \nATOM     31  CA  LEU A 252      26.546  45.946 120.890  1.00 24.63           C  \nATOM     32  CA  LYS A 253      29.367  48.421 121.713  1.00 30.93           C  \nATOM     33  CA  GLY A 254      32.640  46.622 120.953  1.00 34.61           C  \nATOM     34  CA  GLN A 255      30.518  43.427 120.554  1.00 34.13           C  \nATOM     35  CA  LYS A 256      29.992  43.036 124.362  1.00 28.75           C  \nATOM     36  CA  LYS A 257      26.517  41.458 125.023  1.00 25.90           C  \nATOM     37  CA  SER A 258      26.122  43.640 128.170  1.00 21.40           C  \nATOM     38  CA  ALA A 259      26.760  46.853 126.186  1.00 19.96           C  \nATOM     39  CA  ARG A 260      23.631  47.117 123.989  1.00 16.47           C  \nATOM     40  CA  GLN A 261      22.878  50.514 122.474  1.00 15.18           C  \nATOM     41  CA  TYR A 262      19.897  51.908 120.573  1.00 14.45           C  \nATOM     42  CA  HIS A 263      19.883  54.688 117.966  1.00 12.95           C  \nATOM     43  CA  VAL A 264      17.523  57.586 118.839  1.00 11.88           C  \nATOM     44  CA  GLN A 265      16.584  60.982 117.399  1.00 12.40           C  \nATOM     45  CA  PHE A 266      15.822  63.858 119.779  1.00 13.31           C  \nATOM     46  CA  PHE A 267      12.484  65.753 119.664  1.00 13.17           C  \nATOM     47  CA  GLY A 268      12.805  69.541 119.955  1.00 15.45           C  \nATOM     48  CA  ASP A 269      14.241  72.423 117.937  1.00 15.67           C  \nATOM     49  CA  ALA A 270      16.982  71.160 115.551  1.00 15.66           C  \nATOM     50  CA  PRO A 271      17.583  67.621 114.285  1.00 14.60           C  \nATOM     51  CA  GLU A 272      19.895  65.591 116.523  1.00 14.08           C  \nATOM     52  CA  ARG A 273      20.592  61.844 116.991  1.00 12.32           C  \nATOM     53  CA  ALA A 274      22.799  59.503 119.038  1.00 11.69           C  \nATOM     54  CA  TRP A 275      23.621  55.893 119.860  1.00 14.85           C  \nATOM     55  CA  ILE A 276      22.715  55.536 123.580  1.00 18.76           C  \nATOM     56  CA  PHE A 277      23.333  52.692 126.100  1.00 18.95           C  \nATOM     57  CA  GLU A 278      20.106  50.892 126.967  1.00 20.35           C  \nATOM     58  CA  LYS A 279      20.691  51.757 130.672  1.00 23.79           C  \nATOM     59  CA  SER A 280      20.462  55.487 129.684  1.00 21.75           C  \nATOM     60  CA  LEU A 281      16.980  54.964 128.147  1.00 19.05           C  \nATOM     61  CA  VAL A 282      13.528  54.702 129.807  1.00 21.88           C  \nATOM     62  CA  ALA A 283      10.170  54.039 128.010  1.00 22.13           C  \nATOM     63  CA  PHE A 284       8.305  57.356 127.473  1.00 22.89           C  \nATOM     64  CA  GLU A 285       4.817  57.373 128.900  1.00 30.72           C  \nATOM     65  CA  GLY A 286       4.507  61.115 129.528  1.00 32.29           C  \nTER\nEND\n","metadata":{"RMSD_USalign":1.5,"RMSD_recomputed_Kabsch":1.496113,"RMSD_under_USalign_TM_transform":1.558518,"TM_score_normalized_A":0.79683,"TM_score_normalized_B":0.73218,"aligned_fraction_A":0.932203,"aligned_fraction_B":0.846154,"aligned_length":55,"comparison_A":"3LLR:A:UP:Q9Y6K1:PWWP1","comparison_B":"9FOC:A:UP:O96028:PWWP1","conservative_display_comparable":1,"domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","gene_A":"DNMT3A","gene_B":"NSD2","least_squares_transform":"derived/Kabsch_transforms/DNMT3A_PWWP1__NSD2_PWWP1.json","length_A":59,"length_B":65,"raw_output":"derived/USalign_raw/DNMT3A_PWWP1__NSD2_PWWP1.txt","rotation_matrix":"derived/USalign_raw/DNMT3A_PWWP1__NSD2_PWWP1.matrix.txt","sequence_identity_aligned":0.236},"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      11.747  51.217 116.233  1.00 11.66           C  \nATOM      2  CA  GLY A 293       9.114  53.954 116.592  1.00 10.70           C  \nATOM      3  CA  GLU A 294       8.954  53.926 120.393  1.00  9.92           C  \nATOM      4  CA  LEU A 295       8.755  57.346 122.031  1.00  8.81           C  \nATOM      5  CA  VAL A 296      11.436  57.583 124.698  1.00  8.92           C  \nATOM      6  CA  TRP A 297      13.350  59.645 127.212  1.00  9.88           C  \nATOM      7  CA  GLY A 298      17.099  59.553 126.529  1.00 11.97           C  \nATOM      8  CA  LYS A 299      19.986  60.508 128.784  1.00 14.72           C  \nATOM      9  CA  LEU A 300      23.409  61.701 127.653  1.00 16.56           C  \nATOM     10  CA  ARG A 301      26.175  62.942 129.968  1.00 18.05           C  \nATOM     11  CA  GLY A 302      25.834  66.673 130.690  1.00 17.20           C  \nATOM     12  CA  PHE A 303      22.197  66.971 129.580  1.00 15.78           C  \nATOM     13  CA  SER A 304      18.746  66.392 131.103  1.00 13.71           C  \nATOM     14  CA  TRP A 305      16.512  63.472 130.107  1.00 11.30           C  \nATOM     15  CA  TRP A 306      15.349  64.461 126.620  1.00  9.44           C  \nATOM     16  CA  PRO A 307      12.367  63.341 124.486  1.00  8.92           C  \nATOM     17  CA  GLY A 308      13.168  61.243 121.406  1.00  8.62           C  \nATOM     18  CA  ARG A 309      12.026  58.381 119.206  1.00  9.42           C  \nATOM     19  CA  ILE A 310      13.827  55.160 118.304  1.00 10.62           C  \nATOM     20  CA  VAL A 311      14.763  55.030 114.619  1.00 12.73           C  \nATOM     21  CA  SER A 312      16.489  52.524 112.346  1.00 16.66           C  \nATOM     22  CA  TRP A 313      20.174  53.144 111.565  1.00 20.37           C  \nATOM     23  CA  TRP A 314      19.468  53.922 107.886  1.00 23.95           C  \nATOM     24  CA  MET A 315      17.394  56.986 108.867  1.00 25.92           C  \nATOM     25  CA  THR A 316      20.445  58.540 110.533  1.00 26.55           C  \nATOM     26  CA  GLY A 317      22.823  58.580 107.565  1.00 27.15           C  \nATOM     27  CA  ARG A 318      25.290  56.641 109.723  1.00 27.16           C  \nATOM     28  CA  SER A 319      26.022  52.985 110.627  1.00 26.36           C  \nATOM     29  CA  ARG A 320      24.423  50.239 112.760  1.00 25.52           C  \nATOM     30  CA  ALA A 321      24.233  50.663 116.526  1.00 23.98           C  \nATOM     31  CA  ALA A 322      26.136  48.196 118.718  1.00 22.90           C  \nATOM     32  CA  GLU A 323      24.328  45.550 120.781  1.00 21.71           C  \nATOM     33  CA  GLY A 324      22.514  47.009 123.808  1.00 18.92           C  \nATOM     34  CA  THR A 325      22.249  50.438 122.144  1.00 16.23           C  \nATOM     35  CA  ARG A 326      19.703  52.324 120.033  1.00 13.71           C  \nATOM     36  CA  TRP A 327      19.642  55.159 117.528  1.00 12.15           C  \nATOM     37  CA  VAL A 328      17.399  57.910 118.839  1.00 10.55           C  \nATOM     38  CA  MET A 329      16.267  60.979 116.930  1.00  9.27           C  \nATOM     39  CA  TRP A 330      15.780  63.750 119.483  1.00  8.44           C  \nATOM     40  CA  PHE A 331      12.753  66.004 119.298  1.00  8.43           C  \nATOM     41  CA  GLY A 332      13.487  69.745 119.287  1.00  9.47           C  \nATOM     42  CA  ASP A 333      16.300  69.793 116.714  1.00 10.83           C  \nATOM     43  CA  GLY A 334      16.201  66.257 115.248  1.00 11.25           C  \nATOM     44  CA  LYS A 335      19.800  65.236 116.023  1.00 12.44           C  \nATOM     45  CA  PHE A 336      20.774  61.542 116.051  1.00 12.88           C  \nATOM     46  CA  SER A 337      22.633  59.726 118.841  1.00 13.58           C  \nATOM     47  CA  VAL A 338      23.595  56.181 119.799  1.00 14.00           C  \nATOM     48  CA  VAL A 339      22.266  55.630 123.335  1.00 14.62           C  \nATOM     49  CA  CYS A 340      22.645  52.559 125.594  0.50 15.09           C  \nATOM     50  CA  VAL A 341      19.333  51.024 126.710  1.00 15.22           C  \nATOM     51  CA  GLU A 342      20.366  51.711 130.335  1.00 15.28           C  \nATOM     52  CA  LYS A 343      20.023  55.420 129.500  1.00 14.55           C  \nATOM     53  CA  LEU A 344      16.574  54.967 127.936  1.00 13.53           C  \nATOM     54  CA  MET A 345      13.119  55.117 129.514  1.00 12.90           C  \nATOM     55  CA  PRO A 346       9.726  54.846 127.783  1.00 12.13           C  \nATOM     56  CA  LEU A 347       7.742  58.098 127.404  1.00 11.52           C  \nATOM     57  CA  SER A 348       5.329  56.745 130.047  1.00 12.18           C  \nATOM     58  CA  SER A 349       8.049  57.369 132.663  1.00 12.98           C  \nATOM     59  CA  PHE A 350       7.145  61.060 132.168  1.00 13.66           C  \nTER\nEND\n","residue_correspondence":[{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"I","residue_B":"V","uniprot_position_A":292,"uniprot_position_B":222},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"G","residue_B":"G","uniprot_position_A":293,"uniprot_position_B":223},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"E","residue_B":"D","uniprot_position_A":294,"uniprot_position_B":224},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"L","residue_B":"L","uniprot_position_A":295,"uniprot_position_B":225},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"V","residue_B":"V","uniprot_position_A":296,"uniprot_position_B":226},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":297,"uniprot_position_B":227},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"G","residue_B":"S","uniprot_position_A":298,"uniprot_position_B":228},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"K","residue_B":"K","uniprot_position_A":299,"uniprot_position_B":229},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"L","residue_B":"V","uniprot_position_A":300,"uniprot_position_B":230},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"R","residue_B":"S","uniprot_position_A":301,"uniprot_position_B":231},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"G","residue_B":"G","uniprot_position_A":302,"uniprot_position_B":232},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"F","residue_B":"Y","uniprot_position_A":303,"uniprot_position_B":233},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"S","residue_B":"P","uniprot_position_A":304,"uniprot_position_B":234},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":305,"uniprot_position_B":235},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"W","residue_B":"W","uniprot_position_A":306,"uniprot_position_B":236},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"P","residue_B":"P","uniprot_position_A":307,"uniprot_position_B":237},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"G","residue_B":"C","uniprot_position_A":308,"uniprot_position_B":238},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"R","residue_B":"M","uniprot_position_A":309,"uniprot_position_B":239},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"I","residue_B":"V","uniprot_position_A":310,"uniprot_position_B":240},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"V","residue_B":"S","uniprot_position_A":311,"uniprot_position_B":241},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"S","residue_B":"A","uniprot_position_A":312,"uniprot_position_B":242},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"W","residue_B":"D","uniprot_position_A":313,"uniprot_position_B":243},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"W","residue_B":"P","uniprot_position_A":314,"uniprot_position_B":244},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"R","residue_B":"L","uniprot_position_A":318,"uniprot_position_B":245},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"S","residue_B":"L","uniprot_position_A":319,"uniprot_position_B":246},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"R","residue_B":"S","uniprot_position_A":320,"uniprot_position_B":248},{"USalign_marker":".","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"A","residue_B":"T","uniprot_position_A":321,"uniprot_position_B":250},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"A","residue_B":"K","uniprot_position_A":322,"uniprot_position_B":251},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"E","residue_B":"L","uniprot_position_A":323,"uniprot_position_B":252},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O96028:PWWP1","residue_A":"G","residue_B":"R","uniprot_position_A":324,"uniprot_position_B":260},{"USalign_marker":":","domain_A":"UP:Q9Y6K1:PWWP1","domain_B":"UP:O960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