data_5U9T

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5U9T
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5U9T
_pdbx_vrpt_summary.PDB_deposition_date         2016-12-18
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-10-04
_pdbx_vrpt_summary.report_creation_date        2023-09-24:15:26
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Zn(II)Cl(CoilSer L16(DCY))3 2-"  
2  non-polymer  "ZINC ION"  
3  non-polymer  "POLYETHYLENE GLYCOL (N=34)"  
4  non-polymer  "ACETATE ION"  
5  non-polymer  "CHLORIDE ION"  
6  non-polymer  "SODIUM ION"  
7  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A   1  
B   1  
C   1  
D   2  
E   2  
F   2  
G   2  
H   3  
I   3  
J   3  
K   3  
L   3  
M   3  
N   4  
O   5  
P   6  
Q   5  
R   3  
S   3  
T   6  
U   2  
V   2  
W   3  
X   3  
Y   3  
Z   3  
AA  4  
BA  7  
CA  7  
DA  7  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.92  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   53.72  141614     ?     ?  
 2  2  1   46.90    8644  1.90  1.94  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    8530  1.90  1.94  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    8530  1.90  1.94  
 7  1  4   42.35  127900     ?     ?  
 8  2  4   45.64    7793  1.90  1.94  
 9  1  5   57.97  130704     ?     ?  
10  2  5   50.27    7937  1.90  1.94  
#
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  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A   42.35  
 6  8  4  A  1  1  A   45.64  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B  100.00  
10  6  3  B  1  1  B  100.00  
11  7  4  B  1  1  B   42.35  
12  8  4  B  1  1  B   45.64  
13  3  2  C  1  1  C  100.00  
14  4  2  C  1  1  C  100.00  
15  5  3  C  1  1  C  100.00  
16  6  3  C  1  1  C  100.00  
17  7  4  C  1  1  C   42.35  
18  8  4  C  1  1  C   45.64  
#
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  0.51  0.49  218  290  
2  1  1  B  B  0.57  0.53  217  289  
3  1  1  C  C  0.54  0.49  212  281  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     5.27
_pdbx_vrpt_summary_geometry.num_H_reduce                   750
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 647
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.50
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                860
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.54
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 400.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            86.403
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         28.254
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.28(1.92A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6288
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.180
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.364
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.497
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.330
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.951
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.92
_pdbx_vrpt_summary_diffraction.EDS_res_low               24.16
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[29.877,29.535,31.332,0.000,8.570,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.059
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 12.49% 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         96.72
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      312
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.96
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.57
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.92
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        26.53
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.23
#
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
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    1  ACE  A    0  .  ?        ?     ?  
  2  1  1  A    2  GLU  A    1  .  ?        1     ?  
  3  1  1  A    3  TRP  A    2  .  ?        1     ?  
  4  1  1  A    4  GLU  A    3  .  ?        ?     ?  
  5  1  1  A    5  ALA  A    4  .  ?        ?     ?  
  6  1  1  A    6  LEU  A    5  .  ?        ?     ?  
  7  1  1  A    7  GLU  A    6  .  ?        ?     ?  
  8  1  1  A    8  LYS  A    7  .  ?        1     ?  
  9  1  1  A    9  LYS  A    8  .  ?        ?     ?  
 10  1  1  A   10  LEU  A    9  .  ?        ?     ?  
 11  1  1  A   11  ALA  A   10  .  ?        ?     ?  
 12  1  1  A   12  ALA  A   11  .  ?        ?     ?  
 13  1  1  A   13  LEU  A   12  .  ?        ?     ?  
 14  1  1  A   14  GLU  A   13  .  ?        ?     ?  
 15  1  1  A   15  SER  A   14  .  ?        ?     ?  
 16  1  1  A   16  LYS  A   15  .  ?        ?     ?  
 17  1  1  A   17  DCY  A   16  A  ?        ?     ?  
 18  1  1  A   17  DCY  A   16  B  ?        ?     ?  
 19  1  1  A   18  GLN  A   17  .  ?        ?     ?  
 20  1  1  A   19  ALA  A   18  .  ?        ?     ?  
 21  1  1  A   20  LEU  A   19  .  ?        ?     ?  
 22  1  1  A   21  GLU  A   20  .  ?        ?     ?  
 23  1  1  A   22  LYS  A   21  .  ?        ?     ?  
 24  1  1  A   23  LYS  A   22  .  ?        ?     ?  
 25  1  1  A   24  LEU  A   23  .  ?        1     ?  
 26  1  1  A   25  GLU  A   24  .  ?        ?     ?  
 27  1  1  A   26  ALA  A   25  .  ?        ?     ?  
 28  1  1  A   27  LEU  A   26  .  ?        ?     ?  
 29  1  1  A   28  GLU  A   27  .  ?        ?     ?  
 30  1  1  A   29  HIS  A   28  .  ?        ?     ?  
 31  1  1  A   30  GLY  A   29  .  ?        ?     ?  
 32  1  1  B    1  ACE  B    0  .  ?        2     ?  
 33  1  1  B    2  GLU  B    1  .  ?        ?     ?  
 34  1  1  B    3  TRP  B    2  .  ?        1     ?  
 35  1  1  B    4  GLU  B    3  .  ?        ?     ?  
 36  1  1  B    5  ALA  B    4  .  ?        2     ?  
 37  1  1  B    6  LEU  B    5  .  ?        ?     ?  
 38  1  1  B    7  GLU  B    6  .  ?        ?     ?  
 39  1  1  B    8  LYS  B    7  .  ?        ?     ?  
 40  1  1  B    9  LYS  B    8  .  ?        ?     ?  
 41  1  1  B   10  LEU  B    9  .  ?        ?     ?  
 42  1  1  B   11  ALA  B   10  .  ?        ?     ?  
 43  1  1  B   12  ALA  B   11  .  ?        ?     ?  
 44  1  1  B   13  LEU  B   12  .  ?        ?     ?  
 45  1  1  B   14  GLU  B   13  .  ?        ?     ?  
 46  1  1  B   15  SER  B   14  .  ?        ?     ?  
 47  1  1  B   16  LYS  B   15  .  ?        ?     ?  
 48  1  1  B   17  DCY  B   16  .  ?        ?     ?  
 49  1  1  B   18  GLN  B   17  .  ?        ?     ?  
 50  1  1  B   19  ALA  B   18  .  ?        ?     ?  
 51  1  1  B   20  LEU  B   19  .  ?        ?     ?  
 52  1  1  B   21  GLU  B   20  .  ?        ?     ?  
 53  1  1  B   22  LYS  B   21  .  ?        ?     ?  
 54  1  1  B   23  LYS  B   22  .  ?        ?     ?  
 55  1  1  B   24  LEU  B   23  .  ?        ?     ?  
 56  1  1  B   25  GLU  B   24  .  ?        ?     ?  
 57  1  1  B   26  ALA  B   25  .  ?        ?     ?  
 58  1  1  B   27  LEU  B   26  .  ?        ?     ?  
 59  1  1  B   28  GLU  B   27  .  ?        ?     ?  
 60  1  1  B   29  HIS  B   28  .  ?        ?     ?  
 61  1  1  B   30  GLY  B   29  .  ?        ?     ?  
 62  1  1  C    1  ACE  C    0  .  ?        ?     ?  
 63  1  1  C    2  GLU  C    1  .  ?        ?     ?  
 64  1  1  C    3  TRP  C    2  .  ?        ?     ?  
 65  1  1  C    4  GLU  C    3  .  ?        ?     ?  
 66  1  1  C    5  ALA  C    4  .  ?        ?     ?  
 67  1  1  C    6  LEU  C    5  .  ?        1     ?  
 68  1  1  C    7  GLU  C    6  .  ?        ?     ?  
 69  1  1  C    8  LYS  C    7  .  ?        ?     ?  
 70  1  1  C    9  LYS  C    8  .  ?        ?     ?  
 71  1  1  C   10  LEU  C    9  .  ?        ?     ?  
 72  1  1  C   11  ALA  C   10  .  ?        ?     ?  
 73  1  1  C   12  ALA  C   11  .  ?        ?     ?  
 74  1  1  C   13  LEU  C   12  .  ?        ?     ?  
 75  1  1  C   14  GLU  C   13  .  ?        ?     ?  
 76  1  1  C   15  SER  C   14  .  ?        ?     ?  
 77  1  1  C   16  LYS  C   15  .  ?        ?     ?  
 78  1  1  C   17  DCY  C   16  A  ?        ?     ?  
 79  1  1  C   17  DCY  C   16  B  ?        ?     ?  
 80  1  1  C   18  GLN  C   17  .  ?        ?     ?  
 81  1  1  C   19  ALA  C   18  .  ?        ?     ?  
 82  1  1  C   20  LEU  C   19  .  ?        ?     ?  
 83  1  1  C   21  GLU  C   20  .  ?        ?     ?  
 84  1  1  C   22  LYS  C   21  .  ?        ?     ?  
 85  1  1  C   23  LYS  C   22  .  ?        ?     ?  
 86  1  1  C   24  LEU  C   23  .  ?        1     ?  
 87  1  1  C   25  GLU  C   24  .  ?        ?     ?  
 88  1  1  C   26  ALA  C   25  .  ?        ?     ?  
 89  1  1  C   27  LEU  C   26  .  ?        ?     ?  
 90  1  1  C   28  GLU  C   27  .  ?        ?     ?  
 91  1  1  C   29  HIS  C   28  .  ?        ?     ?  
 92  1  1  C   30  GLY  C   29  .  ?        ?     ?  
 93  1  1  C   31  NH2  C   30  .  ?        ?     ?  
 94  1  2  D    .  ZN   A  101  .  ?        ?     ?  
 95  1  2  E    .  ZN   A  102  .  ?        ?     ?  
 96  1  2  F    .  ZN   A  103  .  ?        ?     ?  
 97  1  2  G    .  ZN   A  104  .  ?        ?     ?  
 98  1  3  H    .  15P  A  105  .  ?        ?     4  
 99  1  3  I    .  15P  A  106  .  ?        ?     ?  
100  1  3  J    .  15P  A  107  .  ?        ?     ?  
101  1  3  K    .  15P  A  108  .  ?        ?     ?  
102  1  3  L    .  15P  A  109  .  ?        ?     3  
103  1  3  M    .  15P  A  110  .  ?        2     3  
104  1  4  N    .  ACT  A  111  .  ?        ?     ?  
105  1  5  O    .  CL   A  112  .  ?        ?     ?  
106  1  6  P    .  NA   A  113  .  ?        ?     ?  
107  1  5  Q    .  CL   A  114  .  ?        3     ?  
108  1  3  R    .  15P  B  101  .  ?        ?     ?  
109  1  3  S    .  15P  B  102  .  ?        ?     ?  
110  1  6  T    .  NA   B  103  .  ?        ?     ?  
111  1  2  U    .  ZN   B  104  .  ?        ?     ?  
112  1  2  V    .  ZN   C  101  .  ?        ?     ?  
113  1  3  W    .  15P  C  102  .  ?        ?     3  
114  1  3  X    .  15P  C  103  .  ?        ?     ?  
115  1  3  Y    .  15P  C  104  .  ?        ?     ?  
116  1  3  Z    .  15P  C  105  .  ?        ?     ?  
117  1  4  AA   .  ACT  C  106  .  ?        ?     ?  
118  1  7  BA   .  HOH  A  201  .  ?        ?     ?  
119  1  7  BA   .  HOH  A  202  .  ?        ?     ?  
120  1  7  BA   .  HOH  A  203  .  ?        ?     ?  
121  1  7  BA   .  HOH  A  204  .  ?        ?     ?  
122  1  7  BA   .  HOH  A  205  .  ?        ?     ?  
123  1  7  BA   .  HOH  A  206  .  ?        ?     ?  
124  1  7  BA   .  HOH  A  207  .  ?        ?     ?  
125  1  7  BA   .  HOH  A  208  .  ?        ?     ?  
126  1  7  BA   .  HOH  A  209  .  ?        ?     ?  
127  1  7  BA   .  HOH  A  210  .  ?        ?     ?  
128  1  7  BA   .  HOH  A  211  .  ?        ?     ?  
129  1  7  CA   .  HOH  B  201  .  ?        ?     ?  
130  1  7  CA   .  HOH  B  202  .  ?        ?     ?  
131  1  7  CA   .  HOH  B  203  .  ?        ?     ?  
132  1  7  CA   .  HOH  B  204  .  ?        ?     ?  
133  1  7  CA   .  HOH  B  205  .  ?        ?     ?  
134  1  7  CA   .  HOH  B  206  .  ?        ?     ?  
135  1  7  CA   .  HOH  B  207  .  ?        ?     ?  
136  1  7  CA   .  HOH  B  208  .  ?        ?     ?  
137  1  7  DA   .  HOH  C  201  .  ?        ?     ?  
138  1  7  DA   .  HOH  C  202  .  ?        ?     ?  
139  1  7  DA   .  HOH  C  203  .  ?        ?     ?  
140  1  7  DA   .  HOH  C  204  .  ?        ?     ?  
141  1  7  DA   .  HOH  C  205  .  ?        ?     ?  
142  1  7  DA   .  HOH  C  206  .  ?        ?     ?  
143  1  7  DA   .  HOH  C  207  .  ?        ?     ?  
144  1  7  DA   .  HOH  C  208  .  ?        ?     ?  
145  1  7  DA   .  HOH  C  209  .  ?        ?     ?  
146  1  7  DA   .  HOH  C  210  .  ?        ?     ?  
147  1  7  DA   .  HOH  C  211  .  ?        ?     ?  
148  1  7  DA   .  HOH  C  212  .  ?        ?     ?  
149  1  7  DA   .  HOH  C  213  .  ?        ?     ?  
150  1  7  DA   .  HOH  C  214  .  ?        ?     ?  
151  1  7  DA   .  HOH  C  215  .  ?        ?     ?  
#
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  ?           ?      ?  ?           3  36.740     1  0.05     2  0.50  molprobity  1.000  
  2    2  tp10    -65.3  -39.3  Favored     6  52.870     9  0.47    12  0.78  molprobity  1.000  
  3    3  t-105   -67.8  -48.8  Favored    10  34.810    16  0.41    23  0.39  molprobity  1.000  
  4    4  mp0     -55.6  -44.3  Favored     6  35.110     9  0.35    12  0.55  molprobity  1.000  
  5    5  ?       -63.5  -40.5  Favored     5  29.960     5  0.54     7  0.24  molprobity  1.000  
  6    6  tt      -60.1  -38.8  Favored    11  35.140     8  0.48    11  0.35  molprobity  1.000  
  7    7  mt-10   -71.3  -40.7  Favored     6  31.730     9  0.67    12  0.66  molprobity  1.000  
  8    8  mmtt    -64.0  -38.2  Favored    13  31.420     9  0.58    11  0.46  molprobity  1.000  
  9    9  mtmt    -66.7  -39.7  Favored    13  39.370     9  0.37    11  0.39  molprobity  1.000  
 10   10  tp      -65.4  -41.2  Favored    11  28.920     8  0.39    11  0.73  molprobity  1.000  
 11   11  ?       -61.8  -41.8  Favored     5  26.010     5  0.52     7  0.24  molprobity  1.000  
 12   12  ?       -65.7  -39.5  Favored     5  25.860     5  0.70     7  0.48  molprobity  1.000  
 13   13  tp      -68.3  -37.0  Favored    11  31.580     8  0.53    11  0.65  molprobity  1.000  
 14   14  ?       -65.6  -35.7  Favored     2  25.540     5  0.76     7  0.19  molprobity  1.000  
 15   15  t       -69.4  -44.7  Favored     5  32.660     6  0.71     8  0.61  molprobity  1.000  
 16   16  ?       -61.0  -40.8  Favored     2  31.900     4  0.81     4  0.34  molprobity  1.000  
 17   17  ?           ?      ?  ?           3  32.300     ?     ?     ?     ?  ?           1.000  
 18   18  ?           ?      ?  ?           3  32.300     ?     ?     ?     ?  ?           1.000  
 19   19  tt0     -63.1  -39.9  Favored     8  41.320     9  0.33    12  0.42  molprobity  1.000  
 20   20  ?       -59.1  -47.8  Favored     5  26.320     5  0.70     7  0.23  molprobity  1.000  
 21   21  tp      -64.3  -41.8  Favored    11  26.060     8  0.42    11  0.32  molprobity  1.000  
 22   22  tt0     -55.6  -46.5  Favored     6  35.130     9  0.48    12  0.48  molprobity  1.000  
 23   23  mmtt    -70.1  -41.0  Favored    13  27.580     9  0.34    11  0.41  molprobity  1.000  
 24   24  mtmt    -64.0  -39.3  Favored    13  36.580     9  0.36    11  0.67  molprobity  1.000  
 25   25  mt      -62.1  -41.5  Favored    11  25.720     8  0.41    11  0.23  molprobity  1.000  
 26   26  tp10    -61.4  -43.0  Favored     6  24.070     9  0.51    12  0.32  molprobity  1.000  
 27   27  ?       -61.5  -46.2  Favored     5  21.550     5  0.57     7  0.60  molprobity  1.000  
 28   28  mp      -62.6  -38.2  Favored    11  30.490     8  0.66    11  0.77  molprobity  1.000  
 29   29  tt0     -57.3  -32.9  Favored     6  34.490     9  0.32    12  0.62  molprobity  1.000  
 30   30  m80    -106.2   23.2  Favored     7  28.890    11  0.27    15  0.59  molprobity  1.000  
 31   31  ?           ?      ?  ?           3  41.120     3  0.37     2  0.65  molprobity  1.000  
 32   32  ?           ?      ?  ?           3  27.980     1  0.15     2  0.85  molprobity  1.000  
 33   33  mm-40   -64.5  -39.8  Favored     6  44.420     9  0.41    12  0.62  molprobity  1.000  
 34   34  t-105   -63.8  -51.9  Favored    10  39.660    16  0.42    23  0.46  molprobity  0.870  
 35   35  tt0     -55.8  -42.5  Favored     6  34.600     9  0.44    12  0.76  molprobity  1.000  
 36   36  ?       -65.4  -39.6  Favored     5  30.370     5  0.42     7  0.38  molprobity  1.000  
 37   37  mp      -65.6  -47.5  Favored    11  36.620     8  0.50    11  0.42  molprobity  1.000  
 38   38  mt-10   -61.7  -40.5  Favored     6  51.050     9  0.42    12  0.47  molprobity  1.000  
 39   39  ttmt    -65.6  -45.5  Favored    13  45.700     9  0.29    11  0.52  molprobity  1.000  
 40   40  mttp    -60.1  -42.3  Favored    13  45.850     9  0.58    11  0.46  molprobity  1.000  
 41   41  tp      -65.5  -44.8  Favored    11  36.360     8  0.54    11  0.58  molprobity  1.000  
 42   42  ?       -61.3  -43.6  Favored     5  33.300     5  0.80     7  0.58  molprobity  1.000  
 43   43  ?       -62.1  -42.7  Favored     5  31.000     5  0.66     7  0.38  molprobity  1.000  
 44   44  mt      -66.3  -41.5  Favored    11  33.920     8  0.30    11  0.52  molprobity  1.000  
 45   45  ?       -64.1  -41.8  Favored     2  28.420     5  0.48     7  0.70  molprobity  1.000  
 46   46  t       -66.6  -39.4  Favored     5  34.930     6  0.36     8  0.26  molprobity  1.000  
 47   47  ?       -68.3  -39.9  Favored     8  39.290     7  0.55     7  0.60  molprobity  1.000  
 48   48  ?           ?      ?  ?           3  31.090     ?     ?     ?     ?  ?           0.900  
 49   49  mt-30   -62.4  -46.2  Favored     8  41.550     9  0.67    12  0.61  molprobity  1.000  
 50   50  ?       -61.5  -45.9  Favored     5  24.910     5  0.28     7  0.27  molprobity  1.000  
 51   51  mt      -66.2  -42.3  Favored    11  26.960     8  0.73    11  0.57  molprobity  1.000  
 52   52  tp10    -59.3  -42.2  Favored     6  34.480     9  0.82    12  0.68  molprobity  1.000  
 53   53  ?       -65.4  -39.2  Favored     2  25.400     5  0.47     7  0.54  molprobity  1.000  
 54   54  mttt    -66.6  -41.2  Favored    13  36.070     9  0.41    11  1.08  molprobity  1.000  
 55   55  tt      -60.4  -46.1  Favored    11  25.280     8  0.53    11  0.53  molprobity  1.000  
 56   56  mm-40   -61.0  -42.2  Favored     6  24.130     9  0.95    12  0.47  molprobity  1.000  
 57   57  ?       -63.2  -39.1  Favored     5  26.370     5  0.47     7  0.41  molprobity  1.000  
 58   58  tp      -72.7  -44.2  Favored    11  27.940     8  0.41    11  0.50  molprobity  1.000  
 59   59  tt0     -64.8  -45.1  Favored     6  27.250     9  0.44    12  0.48  molprobity  1.000  
 60   60  m-70   -106.2  -37.4  Favored     7  30.780    11  0.33    15  0.71  molprobity  1.000  
 61   61  ?           ?      ?  ?           3  53.500     3  0.21     2  0.09  molprobity  1.000  
 62   62  ?           ?      ?  ?           3  29.440     1  0.09     2  0.75  molprobity  1.000  
 63   63  mm-40   -49.6  -61.9  Allowed     6  43.740     9  0.39    12  0.67  molprobity  1.000  
 64   64  t-105   -60.5  -46.0  Favored     6  32.780    11  0.24    15  0.32  molprobity  0.922  
 65   65  mp0     -66.2  -39.1  Favored     6  31.440     9  0.41    12  0.60  molprobity  1.000  
 66   66  ?       -67.3  -39.1  Favored     5  28.140     5  0.55     7  0.25  molprobity  1.000  
 67   67  tp      -66.5  -39.9  Favored    11  34.200     8  0.40    11  0.30  molprobity  1.000  
 68   68  tp10    -62.7  -42.2  Favored     6  40.410     9  0.43    12  0.46  molprobity  1.000  
 69   69  ?       -61.6  -45.5  Favored     4  27.610     6  0.61     8  0.46  molprobity  1.000  
 70   70  mmmt    -64.9  -34.7  Favored    13  44.680     9  0.66    11  0.86  molprobity  1.000  
 71   71  tp      -70.1  -41.0  Favored    11  33.190     8  0.55    11  0.89  molprobity  1.000  
 72   72  ?       -65.6  -38.4  Favored     5  30.360     5  0.63     7  0.16  molprobity  1.000  
 73   73  ?       -65.8  -39.0  Favored     5  28.240     5  0.42     7  0.43  molprobity  1.000  
 74   74  mt      -66.5  -41.4  Favored    11  29.890     8  0.48    11  0.45  molprobity  1.000  
 75   75  mt-10   -59.8  -45.0  Favored     6  44.460     9  0.50    12  0.54  molprobity  1.000  
 76   76  m       -64.3  -42.3  Favored     5  33.570     6  0.32     8  0.35  molprobity  1.000  
 77   77  ttmt    -63.7  -42.8  Favored    13  37.360     8  0.48     8  0.52  molprobity  1.000  
 78   78  ?           ?      ?  ?           3  27.190     ?     ?     ?     ?  ?           1.000  
 79   79  ?           ?      ?  ?           3  27.190     ?     ?     ?     ?  ?           1.000  
 80   80  ?       -66.6  -41.3  Favored     2  27.490     5  0.52     7  0.19  molprobity  1.000  
 81   81  ?       -67.4  -40.8  Favored     5  25.130     5  0.47     7  0.32  molprobity  1.000  
 82   82  mt      -68.2  -34.5  Favored    11  24.520     8  0.77    11  0.53  molprobity  1.000  
 83   83  tt0     -61.4  -47.1  Favored     6  41.060     9  0.38    12  0.50  molprobity  1.000  
 84   84  ?       -67.7  -39.6  Favored     6  25.280     7  0.52     9  0.77  molprobity  1.000  
 85   85  tttt    -66.6  -41.0  Favored    13  26.170     9  0.57    11  0.53  molprobity  1.000  
 86   86  tp      -63.2  -38.3  Favored    11  25.820     8  0.65    11  0.91  molprobity  1.000  
 87   87  mm-40   -61.3  -42.2  Favored     6  32.560     9  0.39    12  0.46  molprobity  1.000  
 88   88  ?       -59.0  -46.0  Favored     5  24.390     5  0.44     7  0.27  molprobity  1.000  
 89   89  mt      -64.8  -32.9  Favored    11  29.340     8  0.56    11  0.38  molprobity  1.000  
 90   90  mt-10   -63.0  -29.3  Favored     6  33.100     9  0.57    12  0.71  molprobity  1.000  
 91   91  m80    -103.0   18.7  Favored     7  28.460    11  0.22    15  0.33  molprobity  1.000  
 92   92  ?       110.2  151.9  Favored     3  34.890     3  0.26     2  0.60  molprobity  1.000  
 93   93  ?           ?      ?  ?           ?  36.160     ?     ?     ?     ?  ?           1.000  
 94   94  ?           ?      ?  ?           ?  29.460     ?     ?     ?     ?  ?           0.900  
 95   95  ?           ?      ?  ?           ?  26.210     ?     ?     ?     ?  ?           0.900  
 96   96  ?           ?      ?  ?           ?  23.860     ?     ?     ?     ?  ?           0.540  
 97   97  ?           ?      ?  ?           ?  41.250     ?     ?     ?     ?  ?           0.700  
 98   98  ?           ?      ?  ?          12  51.180     9  0.20     8  0.13  mogul       1.000  
 99   99  ?           ?      ?  ?           9  70.810     6  0.05     5  0.20  mogul       1.000  
100  100  ?           ?      ?  ?           4  63.410     3  0.14     2  0.21  mogul       1.000  
101  101  ?           ?      ?  ?           4  53.010     3  0.18     2  0.15  mogul       1.000  
102  102  ?           ?      ?  ?           9  63.580     6  0.21     5  0.17  mogul       1.000  
103  103  ?           ?      ?  ?          21  46.700    15  0.17    14  0.30  mogul       1.000  
104  104  ?           ?      ?  ?           3  59.230     3  0.94     3  1.12  mogul       1.000  
105  105  ?           ?      ?  ?           ?  58.510     ?     ?     ?     ?  ?           1.000  
106  106  ?           ?      ?  ?           ?  40.740     ?     ?     ?     ?  ?           0.500  
107  107  ?           ?      ?  ?           ?  71.660     ?     ?     ?     ?  ?           1.000  
108  108  ?           ?      ?  ?           4  59.650     3  0.19     2  0.17  mogul       1.000  
109  109  ?           ?      ?  ?           4  57.650     3  0.14     2  0.23  mogul       1.000  
110  110  ?           ?      ?  ?           ?  68.950     ?     ?     ?     ?  ?           0.500  
111  111  ?           ?      ?  ?           ?  75.000     ?     ?     ?     ?  ?           0.630  
112  112  ?           ?      ?  ?           ?  29.890     ?     ?     ?     ?  ?           0.540  
113  113  ?           ?      ?  ?           9  60.900     6  0.20     5  0.18  mogul       1.000  
114  114  ?           ?      ?  ?           4  56.860     3  0.22     2  0.17  mogul       1.000  
115  115  ?           ?      ?  ?           4  84.590     3  0.18     2  0.18  mogul       1.000  
116  116  ?           ?      ?  ?           4  74.710     3  0.20     2  0.19  mogul       1.000  
117  117  ?           ?      ?  ?           3  66.900     3  1.09     3  0.92  mogul       0.500  
118  118  ?           ?      ?  ?           ?  26.180     ?     ?     ?     ?  ?           1.000  
119  119  ?           ?      ?  ?           ?  37.410     ?     ?     ?     ?  ?           1.000  
120  120  ?           ?      ?  ?           ?  30.970     ?     ?     ?     ?  ?           1.000  
121  121  ?           ?      ?  ?           ?  65.530     ?     ?     ?     ?  ?           1.000  
122  122  ?           ?      ?  ?           ?  39.470     ?     ?     ?     ?  ?           1.000  
123  123  ?           ?      ?  ?           ?  61.410     ?     ?     ?     ?  ?           1.000  
124  124  ?           ?      ?  ?           ?  41.170     ?     ?     ?     ?  ?           1.000  
125  125  ?           ?      ?  ?           ?  53.800     ?     ?     ?     ?  ?           1.000  
126  126  ?           ?      ?  ?           ?  60.010     ?     ?     ?     ?  ?           1.000  
127  127  ?           ?      ?  ?           ?  44.780     ?     ?     ?     ?  ?           1.000  
128  128  ?           ?      ?  ?           ?  75.960     ?     ?     ?     ?  ?           1.000  
129  129  ?           ?      ?  ?           ?  26.690     ?     ?     ?     ?  ?           1.000  
130  130  ?           ?      ?  ?           ?  32.730     ?     ?     ?     ?  ?           1.000  
131  131  ?           ?      ?  ?           ?  32.870     ?     ?     ?     ?  ?           1.000  
132  132  ?           ?      ?  ?           ?  49.860     ?     ?     ?     ?  ?           1.000  
133  133  ?           ?      ?  ?           ?  36.750     ?     ?     ?     ?  ?           1.000  
134  134  ?           ?      ?  ?           ?  52.950     ?     ?     ?     ?  ?           1.000  
135  135  ?           ?      ?  ?           ?  52.810     ?     ?     ?     ?  ?           1.000  
136  136  ?           ?      ?  ?           ?  68.050     ?     ?     ?     ?  ?           1.000  
137  137  ?           ?      ?  ?           ?  30.860     ?     ?     ?     ?  ?           1.000  
138  138  ?           ?      ?  ?           ?  61.940     ?     ?     ?     ?  ?           1.000  
139  139  ?           ?      ?  ?           ?  52.050     ?     ?     ?     ?  ?           1.000  
140  140  ?           ?      ?  ?           ?  29.170     ?     ?     ?     ?  ?           1.000  
141  141  ?           ?      ?  ?           ?  34.630     ?     ?     ?     ?  ?           1.000  
142  142  ?           ?      ?  ?           ?  65.210     ?     ?     ?     ?  ?           1.000  
143  143  ?           ?      ?  ?           ?  59.770     ?     ?     ?     ?  ?           1.000  
144  144  ?           ?      ?  ?           ?  41.440     ?     ?     ?     ?  ?           1.000  
145  145  ?           ?      ?  ?           ?  48.280     ?     ?     ?     ?  ?           1.000  
146  146  ?           ?      ?  ?           ?  60.860     ?     ?     ?     ?  ?           1.000  
147  147  ?           ?      ?  ?           ?  60.030     ?     ?     ?     ?  ?           1.000  
148  148  ?           ?      ?  ?           ?  57.650     ?     ?     ?     ?  ?           1.000  
149  149  ?           ?      ?  ?           ?  78.280     ?     ?     ?     ?  ?           1.000  
150  150  ?           ?      ?  ?           ?  51.120     ?     ?     ?     ?  ?           1.000  
151  151  ?           ?      ?  ?           ?  80.510     ?     ?     ?     ?  ?           1.000  
#
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    2  HG3   1  0.46  1.81  
 2    3  CZ2   2  0.41  2.55  
 3    8  NZ    3  0.57  2.74  
 4   25  HD21  4  0.59  1.84  
 5   32  H2    5  0.65  1.62  
 6   32  CH3   6  0.51  2.22  
 7   34  HZ2   1  0.46  1.81  
 8   36  H     5  0.65  1.62  
 9   36  H     6  0.51  2.22  
10   67  HD22  2  0.41  2.55  
11   86  HD13  4  0.59  1.84  
12  103  H28   7  0.95  2.02  
13  103  H19   8  0.47  2.52  
14  107  CL    7  0.95  2.02  
15  107  CL    3  0.57  2.74  
16  107  CL    8  0.47  2.52  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
 1   98  O3   C7   C8   O4    132.25  62.94    642  14.12  8.25  0.47  
 2   98  C7   C8   O4   C9   -122.59  45.39  10000  11.33  0.01  2.03  
 3   98  C12  C11  O5   C10  -102.51  58.99  10000  20.32  0.02  3.86  
 4   98  O5   C11  C12  O6    162.60  87.14    642  28.65  0.64  3.58  
 5  102  OXT  C1   C2   O1    -33.77  43.87    642  33.48  0.17  2.18  
 6  102  C1   C2   O1   C3    -99.06  61.44  10000  22.17  0.01  4.79  
 7  102  C4   C3   O1   C2    124.66  44.02  10000  10.98  0.07  2.09  
 8  103  O3   C7   C8   O4   -159.06  87.94  10000  21.56  0.16  1.23  
 9  103  C7   C8   O4   C9    130.23  40.44  10000  10.78  0.06  2.16  
10  103  O5   C10  C9   O4     41.68  36.31    642  33.17  1.28  2.96  
11  113  OXT  C1   C2   O1    153.20  79.54    642  23.95  0.11  1.09  
12  113  C1   C2   O1   C3   -116.76  49.24  10000  13.26  0.07  2.09  
13  113  O1   C3   C4   O2    158.08  83.47    642  26.36  3.88  2.18  
#
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   3   0.965  0.112       ?  
  2    2   9   0.905  0.134  -0.103  
  3    3  14   0.917  0.110   0.258  
  4    4   9   0.941  0.158   0.236  
  5    5   5   0.971  0.112   0.204  
  6    6   8   0.963  0.086  -0.586  
  7    7   9   0.891  0.121  -0.287  
  8    8   9   0.952  0.152   0.086  
  9    9   9   0.927  0.138  -0.118  
 10   10   8   0.980  0.088  -0.541  
 11   11   5   0.927  0.129   0.550  
 12   12   5   0.960  0.103   0.020  
 13   13   8   0.966  0.134   0.488  
 14   14   5   0.959  0.063  -1.106  
 15   15   6   0.934  0.105  -0.073  
 16   16   5   0.948  0.108  -0.555  
 17   17   9   0.897  0.106       ?  
 18   18   9   0.897  0.106       ?  
 19   19   9   0.955  0.163   0.536  
 20   20   5   0.964  0.092  -0.204  
 21   21   8   0.939  0.156   0.980  
 22   22   9   0.946  0.128  -0.188  
 23   23   9   0.966  0.086  -0.875  
 24   24   9   0.977  0.127  -0.278  
 25   25   8   0.964  0.138   0.577  
 26   26   9   0.971  0.069  -1.021  
 27   27   5   0.962  0.164   1.263  
 28   28   8   0.951  0.163   1.136  
 29   29   9   0.920  0.139  -0.032  
 30   30  10   0.945  0.110   0.005  
 31   31   4   0.904  0.263   2.873  
 32   32   3   0.945  0.092       ?  
 33   33   9   0.931  0.118  -0.329  
 34   34  14   0.836  0.225   3.140  
 35   35   9   0.911  0.114  -0.386  
 36   36   5   0.962  0.076  -0.530  
 37   37   8   0.935  0.132   0.443  
 38   38   9   0.951  0.124  -0.244  
 39   39   9   0.956  0.110  -0.525  
 40   40   9   0.954  0.112  -0.496  
 41   41   8   0.962  0.109  -0.072  
 42   42   5   0.919  0.092  -0.204  
 43   43   5   0.979  0.063  -0.794  
 44   44   8   0.946  0.152   0.890  
 45   45   5   0.909  0.088  -0.753  
 46   46   6   0.958  0.086  -0.414  
 47   47   8   0.965  0.113  -0.482  
 48   48   6   0.948  0.086       ?  
 49   49   9   0.933  0.126  -0.039  
 50   50   5   0.950  0.094  -0.163  
 51   51   8   0.973  0.090  -0.497  
 52   52   9   0.913  0.124  -0.244  
 53   53   5   0.928  0.131  -0.220  
 54   54   9   0.942  0.131  -0.220  
 55   55   8   0.961  0.144   0.711  
 56   56   9   0.968  0.092  -0.696  
 57   57   5   0.969  0.139   0.754  
 58   58   8   0.962  0.131   0.421  
 59   59   9   0.961  0.083  -0.823  
 60   60  10   0.906  0.103  -0.118  
 61   61   4   0.831  0.166   1.141  
 62   62   3   0.948  0.085       ?  
 63   63   9   0.952  0.211   0.984  
 64   64  10   0.867  0.199   2.489  
 65   65   9   0.954  0.107  -0.484  
 66   66   5   0.952  0.139   0.754  
 67   67   8   0.966  0.098  -0.318  
 68   68   9   0.940  0.110  -0.442  
 69   69   6   0.965  0.099  -0.686  
 70   70   9   0.937  0.130  -0.234  
 71   71   8   0.963  0.136   0.532  
 72   72   5   0.956  0.091  -0.224  
 73   73   5   0.959  0.108   0.122  
 74   74   8   0.965  0.128   0.353  
 75   75   9   0.889  0.182   0.575  
 76   76   6   0.956  0.159   0.894  
 77   77   9   0.933  0.101  -0.656  
 78   78   9   0.955  0.094       ?  
 79   79   9   0.955  0.094       ?  
 80   80   5   0.948  0.086  -0.660  
 81   81   5   0.972  0.089  -0.265  
 82   82   8   0.950  0.123   0.242  
 83   83   9   0.955  0.118  -0.329  
 84   84   7   0.967  0.095  -0.744  
 85   85   9   0.968  0.110  -0.525  
 86   86   8   0.950  0.122   0.219  
 87   87   9   0.941  0.146   0.066  
 88   88   5   0.947  0.095  -0.143  
 89   89   8   0.965  0.110  -0.049  
 90   90   9   0.894  0.102  -0.555  
 91   91  10   0.958  0.085  -0.433  
 92   92   4   0.896  0.117   0.266  
 93   93   1   0.970  0.167       ?  
 94   94   1   0.992  0.066       ?  
 95   95   1   0.995  0.062       ?  
 96   96   1   0.989  0.111       ?  
 97   97   1   0.976  0.098       ?  
 98   98  10   0.823  0.226       ?  
 99   99   7   0.592  0.254       ?  
100  100   4   0.814  0.190       ?  
101  101   4   0.919  0.125       ?  
102  102   7   0.669  0.301       ?  
103  103  16   0.892  0.135       ?  
104  104   4   0.967  0.223       ?  
105  105   1   0.941  0.104       ?  
106  106   1   0.975  0.149       ?  
107  107   1   0.855  0.238       ?  
108  108   4   0.853  0.132       ?  
109  109   4   0.812  0.209       ?  
110  110   1   0.741  0.136       ?  
111  111   1   0.935  0.067       ?  
112  112   1   0.956  0.100       ?  
113  113   7   0.608  0.277       ?  
114  114   4   0.570  0.288       ?  
115  115   4  -0.110  0.417       ?  
116  116   4   0.198  0.514       ?  
117  117   4   0.748  0.335       ?  
118  118   1   0.952  0.098       ?  
119  119   1   0.961  0.222       ?  
120  120   1   0.934  0.148       ?  
121  121   1   0.767  0.220       ?  
122  122   1   0.738  0.303       ?  
123  123   1   0.808  0.104       ?  
124  124   1   0.836  0.102       ?  
125  125   1   0.945  0.390       ?  
126  126   1   0.543  0.206       ?  
127  127   1   0.900  0.217       ?  
128  128   1   0.778  0.586       ?  
129  129   1   0.983  0.127       ?  
130  130   1   0.895  0.126       ?  
131  131   1   0.909  0.232       ?  
132  132   1   0.820  0.262       ?  
133  133   1   0.934  0.273       ?  
134  134   1   0.872  0.207       ?  
135  135   1   0.675  0.126       ?  
136  136   1   0.694  0.411       ?  
137  137   1   0.899  0.220       ?  
138  138   1   0.714  0.492       ?  
139  139   1   0.846  0.299       ?  
140  140   1   0.957  0.129       ?  
141  141   1   0.772  0.172       ?  
142  142   1   0.772  0.508       ?  
143  143   1   0.900  0.333       ?  
144  144   1   0.840  0.442       ?  
145  145   1   0.659  0.444       ?  
146  146   1   0.903  0.220       ?  
147  147   1   0.907  0.296       ?  
148  148   1   0.644  0.182       ?  
149  149   1   0.747  0.598       ?  
150  150   1   0.918  0.119       ?  
151  151   1   0.668  0.331       ?  
#
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  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
