data_8A9W

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8A9W
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8A9W
_pdbx_vrpt_summary.PDB_deposition_date         2022-06-29
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-04-12
_pdbx_vrpt_summary.report_creation_date        2023-04-06:18:16
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,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      "Type II secretion system protein L"  
2  non-polymer  "SULFATE ION"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  1.895  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  21.80  141614     ?     ?  
 2  2  1  13.20    6847  1.90  1.90  
 3  1  2   4.59  138981     ?     ?  
 4  2  2   0.55    6760  1.90  1.90  
 5  1  3  10.89  138945     ?     ?  
 6  2  3   4.13    6760  1.90  1.90  
 7  1  4   5.60  127900     ?     ?  
 8  2  4   6.46    6082  1.90  1.90  
 9  1  5  12.99  130704     ?     ?  
10  2  5   4.06    6207  1.90  1.90  
#
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   4.59  
2  4  2  A  1  1  A   0.55  
3  5  3  A  1  1  A  10.89  
4  6  3  A  1  1  A   4.13  
5  7  4  A  1  1  A   5.60  
6  8  4  A  1  1  A   6.46  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.72
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.46
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   581
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  777
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  2.82
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       8.33
_pdbx_vrpt_summary_geometry.clashscore                     11.83
_pdbx_vrpt_summary_geometry.num_H_reduce                   594
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 581
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.46
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                777
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.72
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 168.518
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            53.870
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         41.358
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.73(1.90A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7013
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.259
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.349
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.506
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.343
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.950
_pdbx_vrpt_summary_diffraction.twin_fraction             -l,-k,-h:0.041
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.89
_pdbx_vrpt_summary_diffraction.EDS_res_low               56.78
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[41.358,41.358,41.358,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.000
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.38% 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         100.00
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      746
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.64
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     10.67
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        56.78
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.28
#
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   2  ALA  A    8  .  ?        ?  
 2  1  1  A   3  LEU  A    9  .  ?        ?  
 3  1  1  A   4  ILE  A   10  .  ?        ?  
 4  1  1  A   5  SER  A   11  .  ?        ?  
 5  1  1  A   6  ARG  A   12  .  ?        1  
 6  1  1  A   7  LEU  A   13  .  ?        ?  
 7  1  1  A   8  GLY  A   14  .  ?        ?  
 8  1  1  A   9  ALA  A   15  .  ?        ?  
 9  1  1  A  10  LEU  A   16  .  ?        ?  
10  1  1  A  11  GLN  A   17  .  ?        ?  
11  1  1  A  12  GLN  A   18  .  ?        ?  
12  1  1  A  13  ILE  A   19  .  ?        ?  
13  1  1  A  14  ILE  A   20  .  ?        ?  
14  1  1  A  15  ASP  A   21  .  ?        ?  
15  1  1  A  16  ASP  A   22  .  ?        ?  
16  1  1  A  17  THR  A   23  .  ?        ?  
17  1  1  A  18  PRO  A   24  .  ?        ?  
18  1  1  A  19  GLY  A   25  .  ?        ?  
19  1  1  A  20  ILE  A   26  .  ?        1  
20  1  1  A  21  ARG  A   27  .  ?        ?  
21  1  1  A  22  LEU  A   28  .  ?        ?  
22  1  1  A  23  ARG  A   29  .  ?        ?  
23  1  1  A  24  THR  A   30  .  ?        ?  
24  1  1  A  25  LEU  A   31  .  ?        ?  
25  1  1  A  26  SER  A   32  .  ?        ?  
26  1  1  A  27  PHE  A   33  .  ?        ?  
27  1  1  A  28  ASP  A   34  .  ?        ?  
28  1  1  A  29  ALA  A   35  .  ?        ?  
29  1  1  A  30  ALA  A   36  .  ?        ?  
30  1  1  A  31  ARG  A   37  .  ?        ?  
31  1  1  A  32  ASN  A   38  .  ?        ?  
32  1  1  A  33  ALA  A   39  .  ?        ?  
33  1  1  A  34  LEU  A   40  .  ?        ?  
34  1  1  A  35  GLN  A   41  .  ?        ?  
35  1  1  A  36  LEU  A   42  .  ?        ?  
36  1  1  A  37  GLU  A   43  .  ?        ?  
37  1  1  A  38  ILE  A   44  .  ?        2  
38  1  1  A  39  SER  A   45  .  ?        ?  
39  1  1  A  40  ALA  A   46  .  ?        ?  
40  1  1  A  41  VAL  A   47  .  ?        ?  
41  1  1  A  42  SER  A   48  .  ?        1  
42  1  1  A  43  SER  A   49  .  ?        1  
43  1  1  A  44  GLN  A   50  .  ?        ?  
44  1  1  A  45  ALA  A   51  .  ?        ?  
45  1  1  A  46  LEU  A   52  .  ?        ?  
46  1  1  A  47  GLU  A   53  .  ?        1  
47  1  1  A  48  GLN  A   54  .  ?        ?  
48  1  1  A  49  PHE  A   55  .  ?        ?  
49  1  1  A  50  SER  A   56  .  ?        ?  
50  1  1  A  51  GLN  A   57  .  ?        ?  
51  1  1  A  52  ARG  A   58  .  ?        1  
52  1  1  A  53  ALA  A   59  .  ?        ?  
53  1  1  A  54  ARG  A   60  .  ?        ?  
54  1  1  A  55  ALA  A   61  .  ?        ?  
55  1  1  A  56  ARG  A   62  .  ?        1  
56  1  1  A  57  PHE  A   63  .  ?        2  
57  1  1  A  58  ARG  A   64  .  ?        4  
58  1  1  A  59  VAL  A   65  .  ?        5  
59  1  1  A  60  GLN  A   66  .  ?        ?  
60  1  1  A  61  THR  A   67  .  ?        ?  
61  1  1  A  62  GLY  A   68  .  ?        ?  
62  1  1  A  63  GLU  A   69  .  ?        ?  
63  1  1  A  64  MET  A   70  .  ?        1  
64  1  1  A  65  LYS  A   71  .  ?        ?  
65  1  1  A  69  ASP  A   75  .  ?        ?  
66  1  1  A  70  GLY  A   76  .  ?        ?  
67  1  1  A  71  ILE  A   77  .  ?        1  
68  1  1  A  72  GLU  A   78  .  ?        2  
69  1  1  A  73  GLY  A   79  .  ?        ?  
70  1  1  A  74  ARG  A   80  .  ?        ?  
71  1  1  A  75  LEU  A   81  .  ?        ?  
72  1  1  A  76  THR  A   82  .  ?        ?  
73  1  1  A  77  LEU  A   83  .  ?        1  
74  1  1  A  78  GLU  A   84  .  ?        ?  
75  1  1  A  79  GLY  A   85  .  ?        ?  
76  1  2  B   .  SO4  A  101  .  ?        ?  
77  1  2  C   .  SO4  A  102  .  ?        1  
78  1  3  D   .  HOH  A  201  .  ?        1  
79  1  3  D   .  HOH  A  202  .  ?        ?  
80  1  3  D   .  HOH  A  203  .  ?        ?  
81  1  3  D   .  HOH  A  204  .  ?        ?  
82  1  3  D   .  HOH  A  205  .  ?        ?  
83  1  3  D   .  HOH  A  206  .  ?        ?  
84  1  3  D   .  HOH  A  207  .  ?        ?  
85  1  3  D   .  HOH  A  208  .  ?        ?  
86  1  3  D   .  HOH  A  209  .  ?        ?  
87  1  3  D   .  HOH  A  210  .  ?        ?  
88  1  3  D   .  HOH  A  211  .  ?        ?  
89  1  3  D   .  HOH  A  212  .  ?        ?  
90  1  3  D   .  HOH  A  213  .  ?        ?  
91  1  3  D   .  HOH  A  214  .  ?        ?  
92  1  3  D   .  HOH  A  215  .  ?        1  
93  1  3  D   .  HOH  A  216  .  ?        ?  
94  1  3  D   .  HOH  A  217  .  ?        ?  
#
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.flippable_sidechain
_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   91.350     5  0.85     7  0.30  molprobity  1.000  
 2   2  tp        -95.4   -54.5  Favored     ?    11   69.820     8  0.24    11  0.46  molprobity  1.000  
 3   3  tp        -64.3   -36.1  Favored     ?    11   97.410     8  0.23    11  0.58  molprobity  1.000  
 4   4  m         -85.5   -38.5  Favored     ?     5   76.660     6  0.32     8  0.52  molprobity  1.000  
 5   5  mmp_?     -66.4   -36.2  Favored     ?    13   85.510    11  0.49    14  0.92  molprobity  1.000  
 6   6  OUTLIER   -62.8   -42.4  Favored     ?    11   69.100     8  0.29    11  0.49  molprobity  1.000  
 7   7  ?         -63.4   -41.8  Favored     ?     3   52.680     4  0.36     5  0.33  molprobity  1.000  
 8   8  ?         -62.1   -46.4  Favored     ?     5   49.050     5  0.28     7  0.32  molprobity  1.000  
 9   9  tp        -63.6   -44.1  Favored     ?    11   53.840     8  0.30    11  1.04  molprobity  1.000  
10  10  tp60      -62.7   -33.2  Favored     ?     8   65.970     9  0.36    12  0.32  molprobity  1.000  
11  11  tp60      -66.8   -43.8  Favored     ?     8   57.190     9  0.34    12  0.49  molprobity  1.000  
12  12  mt        -68.2   -42.9  Favored     ?    11   41.090     8  0.38    11  0.43  molprobity  1.000  
13  13  mt        -57.5   -53.8  Favored     ?    11   38.080     8  0.49    11  0.49  molprobity  1.000  
14  14  m-20      -61.3   -33.6  Favored     ?     4   46.600     8  0.56    11  0.85  molprobity  1.000  
15  15  m-20      -77.1   -15.7  Favored     ?     4   49.610     8  0.43    11  0.97  molprobity  1.000  
16  16  m        -103.4   111.5  Favored     ?     7   36.290     7  0.28    11  0.77  molprobity  1.000  
17  17  Cg_endo   -66.4   144.1  Favored     ?     7   36.240     8  0.47    11  0.51  molprobity  1.000  
18  18  ?          89.1     5.9  Favored     ?     3   29.460     4  0.91     5  0.49  molprobity  1.000  
19  19  mm       -118.9   141.6  Favored     ?    11   34.040     8  0.46    11  0.79  molprobity  1.000  
20  20  mmt-85   -134.1   143.2  Favored     ?    13   32.240    11  0.73    14  0.63  molprobity  1.000  
21  21  tp        -68.1   129.8  Favored     ?    11   39.460     8  0.33    11  0.97  molprobity  1.000  
22  22  ttt85    -101.8   -55.4  Favored     ?    13   51.830    11  0.58    14  0.81  molprobity  1.000  
23  23  p        -143.6   161.3  Favored     ?     7   39.800     7  0.35    10  0.79  molprobity  1.000  
24  24  tt       -145.4   135.7  Favored     ?    11   51.560     8  0.51    11  0.77  molprobity  1.000  
25  25  p        -133.6   140.8  Favored     ?     5   41.200     6  0.54     8  0.27  molprobity  1.000  
26  26  t80      -124.9   130.5  Favored     ?     9   41.520    12  0.48    16  0.40  molprobity  1.000  
27  27  t70      -111.6   115.9  Favored     ?     4   46.590     8  0.34    11  0.40  molprobity  1.000  
28  28  ?         -62.2   -46.8  Favored     ?     5   46.060     5  0.43     7  0.60  molprobity  1.000  
29  29  ?         -59.4   -37.8  Favored     ?     5   52.320     5  0.27     7  0.56  molprobity  1.000  
30  30  mtm-85    -92.0    -5.2  Favored     ?    13   68.710    11  0.63    14  0.79  molprobity  1.000  
31  31  t30        40.0    50.0  Favored     ?     6   59.680     8  0.38    11  0.44  molprobity  1.000  
32  32  ?        -120.1   133.5  Favored     ?     5   45.150     5  0.37     7  0.52  molprobity  1.000  
33  33  tp       -111.1   116.9  Favored     ?    11   52.700     8  0.47    11  1.01  molprobity  1.000  
34  34  tt0      -101.3   128.8  Favored     ?     8   61.010     9  0.28    12  0.44  molprobity  1.000  
35  35  mp       -125.0   135.0  Favored     ?    11   62.340     8  0.37    11  0.66  molprobity  1.000  
36  36  tt0      -117.4   123.4  Favored     ?     6   69.370     9  0.42    12  1.02  molprobity  1.000  
37  37  mm       -109.9   136.7  Favored     ?    11   47.060     8  0.29    11  0.83  molprobity  1.000  
38  38  m         -97.3   139.0  Favored     ?     5   37.120     6  0.33     8  0.52  molprobity  1.000  
39  39  ?        -135.9   150.2  Favored     ?     5   38.130     5  0.27     7  0.14  molprobity  1.000  
40  40  m         -70.3   -26.0  Favored     ?     9   43.770     7  0.60    10  1.05  molprobity  1.000  
41  41  p        -164.3   164.5  Favored     ?     5   47.870     6  0.42     8  0.56  molprobity  1.000  
42  42  m         -59.9   -34.8  Favored     ?     5   51.240     6  0.38     8  0.47  molprobity  1.000  
43  43  mp0       -62.8   -44.1  Favored     ?     8   83.880     9  0.41    12  0.39  molprobity  1.000  
44  44  ?         -64.3   -43.9  Favored     ?     5   39.140     5  0.20     7  0.34  molprobity  1.000  
45  45  tp        -62.4   -31.6  Favored     ?    11   56.480     8  0.51    11  0.63  molprobity  1.000  
46  46  mm-40     -76.6   -35.4  Favored     ?     6   88.170     9  0.36    12  0.60  molprobity  1.000  
47  47  tt0       -54.6   -54.6  Favored     1     8   63.730     9  0.71    12  1.14  molprobity  1.000  
48  48  t80       -64.5   -44.6  Favored     ?     9   40.100    12  0.49    16  0.45  molprobity  1.000  
49  49  m         -56.8   -43.6  Favored     ?     5   60.700     6  0.19     8  0.42  molprobity  1.000  
50  50  tp60      -75.0   -30.8  Favored     ?     8   76.280     9  0.42    12  0.50  molprobity  1.000  
51  51  mtm-85    -65.2   -47.6  Favored     ?    13   62.910    11  0.58    14  0.82  molprobity  1.000  
52  52  ?         -62.1   -42.1  Favored     ?     5   42.550     5  0.34     7  1.11  molprobity  1.000  
53  53  tpt180    -62.6   -37.0  Favored     ?    13   71.060    11  0.61    14  1.02  molprobity  1.000  
54  54  ?         -66.4   -36.7  Favored     ?     5   52.230     5  0.12     7  0.57  molprobity  1.000  
55  55  tpt180    -90.0   -44.6  Favored     ?    13   86.320    11  0.58    14  0.89  molprobity  1.000  
56  56  m-85     -112.0  -175.6  Favored     ?     9   69.900    12  0.31    16  0.57  molprobity  1.000  
57  57  ttp-105   -92.7   106.1  Favored     ?    13  110.050    11  0.60    14  1.29  molprobity  1.000  
58  58  p         123.2   154.8  OUTLIER     ?     9  111.680     7  0.78    10  0.91  molprobity  1.000  
59  59  tp60      -83.7   158.9  Favored     ?     8  102.720     9  0.45    12  0.49  molprobity  1.000  
60  60  OUTLIER   -98.5   133.2  Favored     ?     7   93.890     7  0.47    10  0.74  molprobity  1.000  
61  61  ?        -114.3  -140.0  Favored     ?     3   68.510     4  0.20     5  1.40  molprobity  1.000  
62  62  tt0        42.2   -94.6  OUTLIER     ?     6  139.750     9  0.39    12  0.85  molprobity  1.000  
63  63  mtt        70.7   145.3  Allowed     ?     9  129.910     8  0.39    10  0.55  molprobity  1.000  
64  64  OUTLIER       ?       ?  ?           ?    13   85.730     8  0.29     8  0.55  molprobity  1.000  
65  65  OUTLIER       ?       ?  ?           ?     3  102.820     8  0.32    11  0.33  molprobity  1.000  
66  66  ?         143.0    92.7  Allowed     ?     3   95.990     4  0.23     5  0.52  molprobity  1.000  
67  67  mt       -117.4   133.9  Favored     ?    11   54.490     8  0.34    11  0.72  molprobity  1.000  
68  68  mt-10    -127.0   150.8  Favored     ?     6   68.810     9  0.49    12  0.66  molprobity  1.000  
69  69  ?        -128.0   151.8  Favored     ?     3   66.820     4  0.08     5  0.79  molprobity  1.000  
70  70  OUTLIER  -132.1   111.3  Favored     ?    13   79.210    11  0.59    14  0.75  molprobity  1.000  
71  71  tp       -116.3   107.6  Favored     ?    11   84.500     8  0.55    11  0.96  molprobity  1.000  
72  72  m         -91.2   111.9  Favored     ?     7   48.080     7  0.19    10  0.84  molprobity  1.000  
73  73  mt        -92.1   141.8  Favored     ?    11   71.480     8  0.40    11  0.56  molprobity  1.000  
74  74  mt-10    -122.1   156.6  Favored     ?     6   81.880     9  0.49    12  0.77  molprobity  1.000  
75  75  ?             ?       ?  ?           ?     3   82.830     3  0.21     2  0.48  molprobity  1.000  
76  76  ?             ?       ?  ?           ?     ?   32.230     4  0.44     6  0.08  mogul       0.330  
77  77  ?             ?       ?  ?           ?     ?  127.290     4  0.38     6  0.07  mogul       1.000  
78  78  ?             ?       ?  ?           ?     ?   46.770     ?     ?     ?     ?  ?           1.000  
79  79  ?             ?       ?  ?           ?     ?   41.540     ?     ?     ?     ?  ?           1.000  
80  80  ?             ?       ?  ?           ?     ?   33.950     ?     ?     ?     ?  ?           1.000  
81  81  ?             ?       ?  ?           ?     ?   56.270     ?     ?     ?     ?  ?           1.000  
82  82  ?             ?       ?  ?           ?     ?   52.840     ?     ?     ?     ?  ?           1.000  
83  83  ?             ?       ?  ?           ?     ?   47.930     ?     ?     ?     ?  ?           1.000  
84  84  ?             ?       ?  ?           ?     ?   37.600     ?     ?     ?     ?  ?           1.000  
85  85  ?             ?       ?  ?           ?     ?   53.310     ?     ?     ?     ?  ?           1.000  
86  86  ?             ?       ?  ?           ?     ?   46.720     ?     ?     ?     ?  ?           1.000  
87  87  ?             ?       ?  ?           ?     ?   61.750     ?     ?     ?     ?  ?           1.000  
88  88  ?             ?       ?  ?           ?     ?   43.640     ?     ?     ?     ?  ?           1.000  
89  89  ?             ?       ?  ?           ?     ?   55.980     ?     ?     ?     ?  ?           1.000  
90  90  ?             ?       ?  ?           ?     ?   58.590     ?     ?     ?     ?  ?           1.000  
91  91  ?             ?       ?  ?           ?     ?   48.220     ?     ?     ?     ?  ?           1.000  
92  92  ?             ?       ?  ?           ?     ?   73.010     ?     ?     ?     ?  ?           1.000  
93  93  ?             ?       ?  ?           ?     ?   66.460     ?     ?     ?     ?  ?           1.000  
94  94  ?             ?       ?  ?           ?     ?   69.000     ?     ?     ?     ?  ?           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   5  HD3    1  0.44  1.82  
 2  19  HG23   2  0.53  1.90  
 3  37  HG23   2  0.53  1.90  
 4  37  O      3  0.45  2.17  
 5  41  HA     4  0.42  2.02  
 6  42  O      5  0.54  2.07  
 7  46  HG2    5  0.54  2.07  
 8  51  NH1    6  0.40  2.55  
 9  55  NH1    7  0.62  2.32  
10  56  HB3    8  0.51  1.93  
11  56  HE2    1  0.44  1.82  
12  57  O      9  0.70  1.91  
13  57  O     10  0.52  2.56  
14  57  O     11  0.48  2.61  
15  57  O     12  0.42  2.19  
16  58  HG12   9  0.70  1.91  
17  58  HG21  13  0.62  2.00  
18  58  CG1   10  0.52  2.56  
19  58  CB    11  0.48  2.61  
20  58  HB    12  0.42  2.19  
21  63  HA    14  0.67  1.95  
22  67  HD12   4  0.42  2.02  
23  68  O     14  0.67  1.95  
24  68  HA     3  0.45  2.17  
25  73  HD22   8  0.51  1.93  
26  77  O3     6  0.40  2.55  
27  78  O      7  0.62  2.32  
28  92  O     13  0.62  2.00  
#
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  0.706  0.134   0.652  
 2   2   8  0.865  0.182   1.562  
 3   3   8  0.910  0.191   1.804  
 4   4   6  0.906  0.201   1.647  
 5   5  11  0.909  0.152   0.316  
 6   6   8  0.932  0.182   1.562  
 7   7   4  0.978  0.122   0.355  
 8   8   5  0.948  0.087  -0.305  
 9   9   8  0.953  0.114   0.040  
10  10   9  0.957  0.137   0.132  
11  11   9  0.935  0.126  -0.039  
12  12   8  0.981  0.121   0.205  
13  13   8  0.944  0.132   0.457  
14  14   8  0.963  0.125   0.097  
15  15   8  0.974  0.130   0.177  
16  16   7  0.959  0.135   0.577  
17  17   7  0.953  0.141   0.669  
18  18   4  0.983  0.069  -0.591  
19  19   8  0.967  0.117   0.114  
20  20  11  0.975  0.103  -0.443  
21  21   8  0.976  0.113   0.018  
22  22  11  0.973  0.130  -0.025  
23  23   7  0.964  0.084  -0.421  
24  24   8  0.939  0.146   0.756  
25  25   6  0.963  0.137   0.500  
26  26  11  0.952  0.116   0.253  
27  27   8  0.943  0.108  -0.174  
28  28   5  0.910  0.135   0.672  
29  29   5  0.914  0.125   0.468  
30  30  11  0.941  0.127  -0.071  
31  31   8  0.953  0.147   0.535  
32  32   5  0.962  0.097  -0.102  
33  33   8  0.956  0.153   0.913  
34  34   9  0.962  0.120  -0.132  
35  35   8  0.945  0.186   1.651  
36  36   9  0.960  0.172   0.434  
37  37   8  0.954  0.166   1.233  
38  38   6  0.983  0.083  -0.468  
39  39   5  0.982  0.128   0.530  
40  40   7  0.968  0.106  -0.049  
41  41   6  0.918  0.111   0.034  
42  42   6  0.911  0.116   0.124  
43  43   9  0.935  0.209   1.250  
44  44   5  0.968  0.084  -0.367  
45  45   8  0.963  0.157   1.002  
46  46   9  0.954  0.254   1.592  
47  47   9  0.863  0.166   0.582  
48  48  11  0.963  0.137   0.740  
49  49   6  0.954  0.162   0.948  
50  50   9  0.889  0.186   0.893  
51  51  11  0.926  0.140   0.130  
52  52   5  0.978  0.124   0.448  
53  53  11  0.901  0.177   0.703  
54  54   5  0.933  0.159   1.161  
55  55  11  0.886  0.198   1.028  
56  56  11  0.939  0.113   0.183  
57  57  11  0.621  0.286   2.390  
58  58   7  0.593  0.491   8.507  
59  59   9  0.786  0.291   2.523  
60  60   7  0.842  0.285   3.513  
61  61   4  0.855  0.232   2.320  
62  62   9  0.797  0.442   4.247  
63  63   8  0.924  0.369   5.154  
64  64   9  0.849  0.212   0.959  
65  65   8  0.752  0.205   1.373  
66  66   4  0.937  0.168   1.177  
67  67   8  0.952  0.140   0.639  
68  68   9  0.948  0.197   0.787  
69  69   4  0.837  0.152   0.891  
70  70  11  0.920  0.156   0.378  
71  71   8  0.940  0.295   4.089  
72  72   7  0.901  0.136   0.597  
73  73   8  0.963  0.181   1.539  
74  74   9  0.920  0.124  -0.244  
75  75   4  0.918  0.167   1.159  
76  76   5  0.997  0.191       ?  
77  77   5  0.842  0.158       ?  
78  78   1  0.922  0.448       ?  
79  79   1  0.961  0.159       ?  
80  80   1  0.974  0.100       ?  
81  81   1  0.798  0.216       ?  
82  82   1  0.881  0.150       ?  
83  83   1  0.726  0.242       ?  
84  84   1  0.887  0.179       ?  
85  85   1  0.579  0.268       ?  
86  86   1  0.890  0.162       ?  
87  87   1  0.753  0.130       ?  
88  88   1  0.939  0.138       ?  
89  89   1  0.841  0.277       ?  
90  90   1  0.704  0.286       ?  
91  91   1  0.749  0.333       ?  
92  92   1  0.697  0.400       ?  
93  93   1  0.806  0.121       ?  
94  94   1  0.430  0.340       ?  
#
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        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.32.2                                                                Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
