data_4OAJ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4OAJ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4OAJ
_pdbx_vrpt_summary.PDB_deposition_date         2014-01-04
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-02-28
_pdbx_vrpt_summary.report_creation_date        2024-02-21:17:18
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "Disks large homolog 1"  
2  polymer  "5-hydroxytryptamine receptor 2A peptide"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.3  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   72.18  141614     ?     ?  
 2  2  1   80.08    5643  2.30  2.30  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5575  2.30  2.30  
 5  1  3   47.07  138945     ?     ?  
 6  2  3   64.50    5575  2.30  2.30  
 7  1  4   64.85  127900     ?     ?  
 8  2  4   71.47    4938  2.30  2.30  
 9  1  5   27.11  130704     ?     ?  
10  2  5   36.38    5042  2.30  2.30  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A   43.14  
 4  6  3  A  1  1  A   59.53  
 5  7  4  A  1  1  A   61.66  
 6  8  4  A  1  1  A   68.57  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B  100.00  
10  6  3  B  1  2  B  100.00  
11  7  4  B  1  2  B  100.00  
12  8  4  B  1  2  B  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.58  0.38  686  925  
2  1  2  B  B  0.58  0.40   52   67  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.53
_pdbx_vrpt_summary_geometry.clashscore                     3.36
_pdbx_vrpt_summary_geometry.num_H_reduce                   757
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 738
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.38
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                992
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.58
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 65.162
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            48.862
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         46.226
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.90(2.31A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4907
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.342
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.278
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.486
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.317
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.927
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.063
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.30
_pdbx_vrpt_summary_diffraction.EDS_res_low               29.19
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[55.061,55.061,34.041,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.437
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.98% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.55
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      253
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.16
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.02
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.30
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        29.19
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   1  ALA  A  315  .  ?        ?  
  2  1  1  A   2  ALA  A  316  .  ?        ?  
  3  1  1  A   3  ILE  A  317  .  ?        ?  
  4  1  1  A   4  MET  A  318  .  ?        ?  
  5  1  1  A   5  GLU  A  319  .  ?        ?  
  6  1  1  A   6  ILE  A  320  .  ?        ?  
  7  1  1  A   7  LYS  A  321  .  ?        ?  
  8  1  1  A   8  LEU  A  322  .  ?        ?  
  9  1  1  A   9  ILE  A  323  .  ?        ?  
 10  1  1  A  10  LYS  A  324  .  ?        ?  
 11  1  1  A  11  GLY  A  325  .  ?        ?  
 12  1  1  A  12  PRO  A  326  .  ?        ?  
 13  1  1  A  13  LYS  A  327  .  ?        ?  
 14  1  1  A  14  GLY  A  328  .  ?        ?  
 15  1  1  A  15  LEU  A  329  .  ?        2  
 16  1  1  A  16  GLY  A  330  .  ?        ?  
 17  1  1  A  17  PHE  A  331  .  ?        ?  
 18  1  1  A  18  SER  A  332  .  ?        ?  
 19  1  1  A  19  ILE  A  333  .  ?        ?  
 20  1  1  A  20  ALA  A  334  .  ?        ?  
 21  1  1  A  21  GLY  A  335  .  ?        ?  
 22  1  1  A  22  GLY  A  336  .  ?        ?  
 23  1  1  A  23  VAL  A  337  .  ?        ?  
 24  1  1  A  24  GLY  A  338  .  ?        ?  
 25  1  1  A  25  ASN  A  339  .  ?        ?  
 26  1  1  A  26  GLN  A  340  .  ?        ?  
 27  1  1  A  27  HIS  A  341  .  ?        ?  
 28  1  1  A  28  ILE  A  342  .  ?        ?  
 29  1  1  A  29  PRO  A  343  .  ?        ?  
 30  1  1  A  30  GLY  A  344  .  ?        ?  
 31  1  1  A  31  ASP  A  345  .  ?        ?  
 32  1  1  A  32  ASN  A  346  .  ?        ?  
 33  1  1  A  33  SER  A  347  .  ?        ?  
 34  1  1  A  34  ILE  A  348  .  ?        ?  
 35  1  1  A  35  TYR  A  349  .  ?        ?  
 36  1  1  A  36  VAL  A  350  .  ?        ?  
 37  1  1  A  37  THR  A  351  .  ?        ?  
 38  1  1  A  38  LYS  A  352  .  ?        ?  
 39  1  1  A  39  ILE  A  353  .  ?        ?  
 40  1  1  A  40  ILE  A  354  .  ?        ?  
 41  1  1  A  41  GLU  A  355  .  ?        ?  
 42  1  1  A  42  GLY  A  356  .  ?        ?  
 43  1  1  A  43  GLY  A  357  .  ?        ?  
 44  1  1  A  44  ALA  A  358  .  ?        ?  
 45  1  1  A  45  ALA  A  359  .  ?        ?  
 46  1  1  A  46  HIS  A  360  .  ?        ?  
 47  1  1  A  47  LYS  A  361  .  ?        ?  
 48  1  1  A  48  ASP  A  362  .  ?        ?  
 49  1  1  A  49  GLY  A  363  .  ?        ?  
 50  1  1  A  50  LYS  A  364  .  ?        ?  
 51  1  1  A  51  LEU  A  365  .  ?        ?  
 52  1  1  A  52  GLN  A  366  .  ?        ?  
 53  1  1  A  53  ILE  A  367  .  ?        ?  
 54  1  1  A  54  GLY  A  368  .  ?        ?  
 55  1  1  A  55  ASP  A  369  .  ?        ?  
 56  1  1  A  56  LYS  A  370  .  ?        1  
 57  1  1  A  57  LEU  A  371  .  ?        3  
 58  1  1  A  58  LEU  A  372  .  ?        1  
 59  1  1  A  59  ALA  A  373  .  ?        ?  
 60  1  1  A  60  VAL  A  374  .  ?        ?  
 61  1  1  A  61  ASN  A  375  .  ?        ?  
 62  1  1  A  62  SER  A  376  .  ?        ?  
 63  1  1  A  63  VAL  A  377  .  ?        ?  
 64  1  1  A  64  CYS  A  378  .  ?        ?  
 65  1  1  A  65  LEU  A  379  .  ?        ?  
 66  1  1  A  66  GLU  A  380  .  ?        ?  
 67  1  1  A  67  GLU  A  381  .  ?        ?  
 68  1  1  A  68  VAL  A  382  .  ?        ?  
 69  1  1  A  69  THR  A  383  .  ?        ?  
 70  1  1  A  70  HIS  A  384  .  ?        ?  
 71  1  1  A  71  GLU  A  385  .  ?        1  
 72  1  1  A  72  GLU  A  386  .  ?        ?  
 73  1  1  A  73  ALA  A  387  .  ?        ?  
 74  1  1  A  74  VAL  A  388  .  ?        ?  
 75  1  1  A  75  THR  A  389  .  ?        1  
 76  1  1  A  76  ALA  A  390  .  ?        ?  
 77  1  1  A  77  LEU  A  391  .  ?        ?  
 78  1  1  A  78  LYS  A  392  .  ?        ?  
 79  1  1  A  79  ASN  A  393  .  ?        ?  
 80  1  1  A  80  THR  A  394  .  ?        ?  
 81  1  1  A  81  SER  A  395  .  ?        ?  
 82  1  1  A  82  ASP  A  396  .  ?        ?  
 83  1  1  A  83  PHE  A  397  .  ?        ?  
 84  1  1  A  84  VAL  A  398  .  ?        ?  
 85  1  1  A  85  TYR  A  399  .  ?        ?  
 86  1  1  A  86  LEU  A  400  .  ?        ?  
 87  1  1  A  87  LYS  A  401  .  ?        ?  
 88  1  1  A  88  VAL  A  402  .  ?        1  
 89  1  1  A  89  ALA  A  403  .  ?        ?  
 90  1  1  A  90  LYS  A  404  .  ?        ?  
 91  1  1  A  91  PRO  A  405  .  ?        ?  
 92  1  1  A  92  THR  A  406  .  ?        ?  
 93  1  2  B   1  ASN  B   14  .  ?        ?  
 94  1  2  B   2  GLU  B   15  .  ?        ?  
 95  1  2  B   3  LYS  B   16  .  ?        ?  
 96  1  2  B   4  VAL  B   17  .  ?        ?  
 97  1  2  B   5  SER  B   18  .  ?        ?  
 98  1  2  B   6  CYS  B   19  .  ?        ?  
 99  1  2  B   7  VAL  B   20  .  ?        ?  
100  1  3  C   .  HOH  A  501  .  ?        ?  
101  1  3  C   .  HOH  A  502  .  ?        ?  
102  1  3  C   .  HOH  A  503  .  ?        ?  
103  1  3  C   .  HOH  A  504  .  ?        ?  
104  1  3  C   .  HOH  A  505  .  ?        ?  
105  1  3  C   .  HOH  A  506  .  ?        ?  
106  1  3  C   .  HOH  A  507  .  ?        ?  
107  1  3  C   .  HOH  A  508  .  ?        ?  
108  1  3  C   .  HOH  A  509  .  ?        ?  
109  1  3  C   .  HOH  A  510  .  ?        ?  
110  1  3  C   .  HOH  A  511  .  ?        ?  
111  1  3  C   .  HOH  A  512  .  ?        ?  
112  1  3  C   .  HOH  A  513  .  ?        ?  
113  1  3  D   .  HOH  B  101  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ?             ?       ?  ?           4  121.370     5  0.18     7  0.26  molprobity  1.000  
  2    2  ?         -87.5   119.1  Favored     5  106.710     5  0.14     7  0.28  molprobity  1.000  
  3    3  mm        -68.1   114.6  Favored    11   81.560     8  0.33    11  0.84  molprobity  1.000  
  4    4  ttm      -108.3   134.1  Favored     9   77.680     8  0.38    10  0.41  molprobity  1.000  
  5    5  tt0      -110.4   114.6  Favored     6   68.780     9  0.54    12  0.56  molprobity  1.000  
  6    6  mt       -105.0   130.0  Favored    11   55.520     8  0.52    11  0.80  molprobity  1.000  
  7    7  mtmm     -102.5   127.9  Favored    13   54.800     9  0.34    11  0.48  molprobity  1.000  
  8    8  mt       -128.9   143.8  Favored    11   51.250     8  0.33    11  1.14  molprobity  1.000  
  9    9  mt       -100.2   124.5  Favored    11   55.570     8  0.41    11  0.60  molprobity  1.000  
 10   10  ttpt      -68.0   126.4  Favored    13   67.220     9  0.18    11  0.37  molprobity  1.000  
 11   11  ?         -80.7   170.2  Favored     3   70.780     4  0.31     6  0.71  molprobity  1.000  
 12   12  Cg_endo   -59.3   -33.5  Favored     7   65.470     8  0.20    11  0.34  molprobity  1.000  
 13   13  mttt      -82.3   -13.5  Favored    13   78.050     9  0.18    11  0.38  molprobity  1.000  
 14   14  ?         120.0  -158.2  Favored     3   68.060     4  0.31     5  0.49  molprobity  1.000  
 15   15  mt        -77.2   -22.1  Favored    11   56.420     8  0.26    11  0.73  molprobity  1.000  
 16   16  ?          80.8    35.3  Favored     3   59.520     4  0.42     5  0.50  molprobity  1.000  
 17   17  p90      -149.6   172.4  Favored     9   52.230    12  0.49    16  0.41  molprobity  1.000  
 18   18  m        -126.3   152.2  Favored     5   60.860     6  0.32     8  0.43  molprobity  1.000  
 19   19  pt       -131.7   154.9  Favored    11   50.310     8  0.49    11  0.89  molprobity  1.000  
 20   20  ?        -133.9  -178.2  Favored     5   54.990     5  0.27     7  0.57  molprobity  1.000  
 21   21  ?         104.3  -171.5  Favored     3   56.680     4  0.65     5  0.59  molprobity  1.000  
 22   22  ?         109.9   159.2  Favored     3   66.490     4  0.46     5  0.52  molprobity  1.000  
 23   23  t         -59.7   131.4  Favored     9   70.490     7  0.59    10  0.66  molprobity  1.000  
 24   24  ?          77.5     9.9  Favored     3   79.210     4  0.37     5  0.28  molprobity  1.000  
 25   25  t30      -158.1    52.0  Allowed     6   65.840     8  0.22    11  0.35  molprobity  1.000  
 26   26  mt-30     -59.2   137.5  Favored     8   70.520     9  0.30    12  0.35  molprobity  1.000  
 27   27  t60       -88.6   -25.8  Favored     7   67.340    11  0.21    15  0.39  molprobity  1.000  
 28   28  mt       -133.1   138.6  Favored    11   81.010     8  0.23    12  0.59  molprobity  1.000  
 29   29  Cg_exo    -52.8   126.7  Favored     7   85.060     8  0.18    11  0.33  molprobity  1.000  
 30   30  ?          85.3    -4.1  Favored     3   82.630     4  0.30     5  0.25  molprobity  1.000  
 31   31  t0       -120.0   123.0  Favored     4   72.540     8  0.28    11  0.55  molprobity  1.000  
 32   32  m-20      -90.1    -7.9  Favored     6   69.530     8  0.30    11  0.64  molprobity  1.000  
 33   33  p         -64.8   160.4  Favored     5   61.920     6  0.38     8  0.83  molprobity  1.000  
 34   34  mm        -82.6   127.0  Favored    11   51.780     8  0.43    11  0.67  molprobity  1.000  
 35   35  m-85     -120.3   149.3  Favored     9   64.640    13  0.44    18  0.38  molprobity  1.000  
 36   36  t         -82.4   122.2  Favored     9   59.780     7  0.37    10  0.75  molprobity  1.000  
 37   37  p        -102.5   -28.8  Favored     7   70.360     7  0.33    10  1.04  molprobity  1.000  
 38   38  tttt     -146.9   143.9  Favored    13   69.040     9  0.42    11  0.49  molprobity  1.000  
 39   39  mt       -124.1   109.9  Favored    11   64.030     8  0.60    11  0.71  molprobity  1.000  
 40   40  tt        -77.2   137.5  Favored    11   69.350     8  0.33    11  0.60  molprobity  1.000  
 41   41  OUTLIER   -54.7   135.7  Favored     6   91.720     9  0.21    12  0.54  molprobity  1.000  
 42   42  ?          82.6    -5.0  Favored     3   68.580     4  0.23     5  0.38  molprobity  1.000  
 43   43  ?         -80.8   172.9  Favored     3   63.370     4  0.40     5  0.32  molprobity  1.000  
 44   44  ?         -61.9   -45.5  Favored     5   52.840     5  0.34     7  0.48  molprobity  1.000  
 45   45  ?         -66.6   -43.6  Favored     5   57.430     5  0.28     7  0.38  molprobity  1.000  
 46   46  t-80      -58.0   -52.8  Favored     7   75.380    11  0.20    15  0.21  molprobity  1.000  
 47   47  mtpp      -67.3   -24.9  Favored    13   78.040     9  0.41    11  0.44  molprobity  1.000  
 48   48  t70       -76.7   -41.5  Favored     4   68.260     8  0.24    11  0.62  molprobity  1.000  
 49   49  ?          75.9    26.1  Favored     3   67.890     4  0.30     5  1.04  molprobity  1.000  
 50   50  mttt     -105.3   -36.6  Favored    13   65.820     9  0.42    11  0.42  molprobity  1.000  
 51   51  tp        -63.7   148.8  Favored    11   59.810     8  0.29    11  0.45  molprobity  1.000  
 52   52  mt-30    -143.7   147.0  Favored     8   70.890     9  0.31    12  0.50  molprobity  1.000  
 53   53  pt        -59.5   137.5  Favored    11   65.080     8  0.17    11  0.52  molprobity  1.000  
 54   54  ?         101.7   -15.4  Favored     3   61.820     4  0.49     5  0.30  molprobity  1.000  
 55   55  m-20      -66.6   134.6  Favored     4   67.030     8  0.26    11  0.50  molprobity  1.000  
 56   56  tttp      -84.6   126.5  Favored    13   63.810     9  0.45    11  0.82  molprobity  1.000  
 57   57  mt        -83.9   126.3  Favored    11   57.930     8  0.39    11  0.71  molprobity  1.000  
 58   58  mt       -105.8   -31.9  Favored    11   60.870     8  0.29    11  0.59  molprobity  1.000  
 59   59  ?        -168.1   147.9  Favored     5   50.340     5  0.56     7  0.50  molprobity  1.000  
 60   60  p        -130.0   123.1  Favored     9   48.700     7  0.38    10  0.68  molprobity  1.000  
 61   61  m-20       44.7  -118.7  Allowed     6   52.390     8  0.42    11  0.47  molprobity  1.000  
 62   62  t        -100.3    16.6  Favored     5   58.190     6  0.25     8  0.48  molprobity  1.000  
 63   63  t        -118.3   130.8  Favored     9   51.720     7  0.35    10  0.62  molprobity  1.000  
 64   64  t         -87.9   136.3  Favored     5   65.240     6  0.35     8  0.43  molprobity  1.000  
 65   65  mt       -113.5    19.8  Favored    11   60.700     8  0.44    11  0.39  molprobity  1.000  
 66   66  mt-10     -93.5   127.5  Favored     6   85.980     9  0.28    12  0.44  molprobity  1.000  
 67   67  mm-40      58.9    33.2  Favored     6   74.640     9  0.34    12  0.50  molprobity  1.000  
 68   68  m        -100.9   164.6  Favored     9   61.870     7  0.60    10  0.45  molprobity  1.000  
 69   69  p         -76.6   172.7  Favored     7   62.440     7  0.37    10  0.74  molprobity  1.000  
 70   70  t60       -64.8   -34.3  Favored     7   58.510    11  0.31    15  0.27  molprobity  1.000  
 71   71  mp0       -75.0   -36.4  Favored     6   74.250     9  0.53    12  0.27  molprobity  1.000  
 72   72  mt-10     -66.2   -36.2  Favored     6   63.550     9  0.42    12  0.55  molprobity  1.000  
 73   73  ?         -69.1   -42.6  Favored     5   51.410     5  0.42     7  0.33  molprobity  1.000  
 74   74  t         -64.9   -43.1  Favored     9   55.650     7  0.51    10  0.58  molprobity  1.000  
 75   75  p         -69.2   -34.3  Favored     7   61.850     7  0.54    10  0.71  molprobity  1.000  
 76   76  ?         -63.6   -39.2  Favored     5   50.330     5  0.34     7  0.27  molprobity  1.000  
 77   77  mt        -81.7   -21.8  Favored    11   51.250     8  0.44    11  0.64  molprobity  1.000  
 78   78  mtpt      -96.9   -16.7  Favored    13   63.990     9  0.40    11  0.32  molprobity  1.000  
 79   79  m-20      -93.7    19.7  Favored     6   65.460     8  0.31    11  0.32  molprobity  1.000  
 80   80  p         -77.2  -175.7  Favored     7   68.990     7  0.27    10  0.72  molprobity  1.000  
 81   81  p        -161.9   107.4  Allowed     5   87.290     6  0.19     8  0.50  molprobity  1.000  
 82   82  m-20       69.4   -64.3  Allowed     4   72.240     8  0.28    11  0.47  molprobity  1.000  
 83   83  m-85     -112.8   133.2  Favored     9   54.330    12  0.54    16  0.36  molprobity  1.000  
 84   84  t        -137.2   124.5  Favored     9   47.740     7  0.80    10  1.23  molprobity  1.000  
 85   85  m-85      -88.5   123.5  Favored     9   56.840    13  0.30    18  0.43  molprobity  1.000  
 86   86  OUTLIER  -114.9   117.4  Favored    11   58.340     8  0.26    11  1.25  molprobity  1.000  
 87   87  mttt      -99.8   122.2  Favored    13   61.820     9  0.42    11  0.39  molprobity  1.000  
 88   88  m        -133.7   162.5  Favored     9   63.460     7  0.39    10  0.75  molprobity  1.000  
 89   89  ?        -129.1   133.8  Favored     5   68.140     5  0.72     7  0.66  molprobity  1.000  
 90   90  mmtt      -81.0   150.2  Favored    13   77.950     9  0.36    12  0.53  molprobity  1.000  
 91   91  Cg_exo    -57.9   157.4  Favored     7   90.030     8  0.26    11  0.46  molprobity  1.000  
 92   92  m             ?       ?  ?           7   95.580     6  0.21     7  0.71  molprobity  1.000  
 93   93  m-20          ?       ?  ?           5   92.990     8  0.30    11  0.49  molprobity  1.000  
 94   94  pt-20    -133.8   156.1  Favored     6   87.700     9  0.40    12  0.35  molprobity  1.000  
 95   95  tttt      -98.4   131.9  Favored    13   75.230     9  0.29    11  0.37  molprobity  1.000  
 96   96  t        -117.4   137.6  Favored     9   64.230     7  0.46    10  0.67  molprobity  1.000  
 97   97  m        -128.7   142.0  Favored     5   61.720     6  0.33     8  0.52  molprobity  1.000  
 98   98  p         -83.0   153.7  Favored     5   71.750     6  0.57     8  0.77  molprobity  1.000  
 99   99  t             ?       ?  ?           9   73.700     7  0.43     7  0.87  molprobity  1.000  
100  100  ?             ?       ?  ?           ?   51.290     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?       ?  ?           ?   51.410     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?       ?  ?           ?   58.720     ?     ?     ?     ?  ?           1.000  
103  103  ?             ?       ?  ?           ?   58.760     ?     ?     ?     ?  ?           1.000  
104  104  ?             ?       ?  ?           ?   60.460     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?       ?  ?           ?   66.220     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?       ?  ?           ?   76.090     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?           ?   62.080     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?           ?   73.550     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?           ?   75.280     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?           ?   61.830     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?       ?  ?           ?   78.210     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?           ?   77.740     ?     ?     ?     ?  ?           1.000  
113  113  ?             ?       ?  ?           ?   34.120     ?     ?     ?     ?  ?           0.500  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1  15  HD23  1  0.41  1.92  
 2  15  HA    1  0.41  1.92  
 3  56  HE3   2  0.43  2.01  
 4  57  HD23  3  0.42  2.01  
 5  57  HD23  4  0.42  1.78  
 6  57  HA    4  0.42  1.78  
 7  58  HD21  2  0.43  2.01  
 8  71  O     5  0.59  2.02  
 9  75  HG23  5  0.59  2.02  
10  88  HG12  3  0.42  2.01  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.519  0.356   4.012  
  2    2   5  0.521  0.258   2.269  
  3    3   8  0.898  0.123  -0.416  
  4    4   8  0.940  0.107  -0.527  
  5    5   9  0.898  0.125  -0.597  
  6    6   8  0.933  0.147   0.032  
  7    7   9  0.962  0.148  -0.387  
  8    8   8  0.945  0.175   0.536  
  9    9   8  0.936  0.152   0.125  
 10   10   9  0.902  0.135  -0.561  
 11   11   4  0.935  0.202   1.181  
 12   12   7  0.915  0.135   0.075  
 13   13   9  0.871  0.175  -0.027  
 14   14   4  0.895  0.125  -0.063  
 15   15   8  0.956  0.118  -0.514  
 16   16   4  0.972  0.104  -0.402  
 17   17  11  0.934  0.133  -0.062  
 18   18   6  0.922  0.140   0.086  
 19   19   8  0.940  0.156   0.200  
 20   20   5  0.930  0.108  -0.400  
 21   21   4  0.965  0.119  -0.160  
 22   22   4  0.968  0.159   0.486  
 23   23   7  0.941  0.202   1.169  
 24   24   4  0.903  0.175   0.745  
 25   25   8  0.961  0.123  -0.304  
 26   26   9  0.941  0.091  -0.957  
 27   27  10  0.955  0.104  -0.547  
 28   28   8  0.936  0.140  -0.099  
 29   29   7  0.895  0.204   1.250  
 30   30   4  0.944  0.127  -0.031  
 31   31   8  0.920  0.146   0.003  
 32   32   8  0.944  0.187   0.684  
 33   33   6  0.934  0.144   0.152  
 34   34   8  0.938  0.139  -0.118  
 35   35  12  0.950  0.119  -0.273  
 36   36   7  0.953  0.136  -0.071  
 37   37   7  0.966  0.089  -0.791  
 38   38   9  0.955  0.119  -0.774  
 39   39   8  0.953  0.146   0.013  
 40   40   8  0.895  0.120  -0.472  
 41   41   9  0.755  0.269   1.308  
 42   42   4  0.822  0.099  -0.483  
 43   43   4  0.950  0.115  -0.225  
 44   44   5  0.958  0.114  -0.294  
 45   45   5  0.963  0.097  -0.596  
 46   46  10  0.937  0.100  -0.612  
 47   47   9  0.936  0.214   0.494  
 48   48   8  0.958  0.093  -0.788  
 49   49   4  0.965  0.127  -0.031  
 50   50   9  0.951  0.141  -0.481  
 51   51   8  0.931  0.125  -0.385  
 52   52   9  0.911  0.155  -0.032  
 53   53   8  0.918  0.128  -0.323  
 54   54   4  0.962  0.118  -0.176  
 55   55   8  0.907  0.114  -0.475  
 56   56   9  0.916  0.114  -0.841  
 57   57   8  0.908  0.142  -0.072  
 58   58   8  0.940  0.126  -0.366  
 59   59   5  0.950  0.159   0.507  
 60   60   7  0.972  0.160   0.380  
 61   61   8  0.971  0.140  -0.042  
 62   62   6  0.892  0.175   0.664  
 63   63   7  0.967  0.153   0.248  
 64   64   6  0.960  0.133   0.309  
 65   65   8  0.898  0.126  -0.366  
 66   66   9  0.939  0.186   0.210  
 67   67   9  0.877  0.203   0.435  
 68   68   7  0.888  0.137  -0.053  
 69   69   7  0.957  0.140   0.105  
 70   70  10  0.966  0.109  -0.465  
 71   71   9  0.829  0.217   0.620  
 72   72   9  0.918  0.128  -0.557  
 73   73   5  0.936  0.143   0.222  
 74   74   7  0.907  0.178   0.718  
 75   75   7  0.910  0.137   0.053  
 76   76   5  0.955  0.132   0.027  
 77   77   8  0.947  0.161   0.278  
 78   78   9  0.931  0.160  -0.227  
 79   79   8  0.952  0.139  -0.057  
 80   80   7  0.946  0.123  -0.193  
 81   81   6  0.914  0.170   0.582  
 82   82   8  0.948  0.155   0.137  
 83   83  11  0.937  0.182   0.862  
 84   84   7  0.986  0.188   0.906  
 85   85  12  0.948  0.137   0.078  
 86   86   8  0.947  0.205   1.088  
 87   87   9  0.891  0.196   0.254  
 88   88   7  0.909  0.117  -0.429  
 89   89   5  0.936  0.115  -0.276  
 90   90   9  0.874  0.173  -0.053  
 91   91   7  0.927  0.186   0.944  
 92   92   7  0.869  0.225   1.599  
 93   93   8  0.675  0.272   1.995  
 94   94   9  0.920  0.171   0.012  
 95   95   9  0.878  0.148  -0.387  
 96   96   7  0.927  0.153   0.248  
 97   97   6  0.958  0.135   0.003  
 98   98   6  0.907  0.122   0.074  
 99   99   8  0.796  0.245   1.977  
100  100   1  0.953  0.229       ?  
101  101   1  0.919  0.100       ?  
102  102   1  0.923  0.165       ?  
103  103   1  0.868  0.127       ?  
104  104   1  0.750  0.092       ?  
105  105   1  0.891  0.283       ?  
106  106   1  0.814  0.101       ?  
107  107   1  0.846  0.138       ?  
108  108   1  0.431  0.416       ?  
109  109   1  0.881  0.172       ?  
110  110   1  0.863  0.186       ?  
111  111   1  0.545  0.425       ?  
112  112   1  0.970  0.186       ?  
113  113   1  0.959  0.523       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
