data_8AYG

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8AYG
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8AYG
_pdbx_vrpt_summary.PDB_deposition_date         2022-09-02
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-09-13
_pdbx_vrpt_summary.report_creation_date        2023-09-06:09:20
_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  "Insulin-linked polymorphic region, ILPR DNA (31-MER)"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.25  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_percent  
3  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  58.96  141614     ?     ?  
2  2  1  61.06    1487  2.26  2.26  
3  1  2  18.39  127900     ?     ?  
4  2  2  20.28    1356  2.26  2.26  
5  1  3   8.24  130704     ?     ?  
6  2  3   5.52    1377  2.26  2.26  
#
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  47.23  
2  4  2  A  1  1  A  50.22  
3  3  2  B  1  1  B   7.44  
4  4  2  B  1  1  B   8.11  
#
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  0.95  1.09  674  1031  
2  1  1  B  B  1.05  1.18  674  1031  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       4.71
_pdbx_vrpt_summary_geometry.num_H_reduce     698
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   1348
_pdbx_vrpt_summary_geometry.bonds_RMSZ       1.13
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  2062
_pdbx_vrpt_summary_geometry.angles_RMSZ      1.00
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 92.759
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            51.903
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         79.410
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.47(2.24A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8103
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.528
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.285
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.513
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.349
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.955
_pdbx_vrpt_summary_diffraction.DCC_R                     0.24
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.29
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.25
_pdbx_vrpt_summary_diffraction.EDS_res_low               41.46
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[92.128,93.469,39.686,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.716
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 12.41% 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         14
_pdbx_vrpt_summary_diffraction.centric_outliers          8
_pdbx_vrpt_summary_diffraction.data_completeness         94.85
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      430
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.31
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.45
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.25
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        41.46
_pdbx_vrpt_summary_diffraction.PDB_R                     0.25
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.29
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
 1  1  1  A   1  DT   A    1  .  ?        ?     ?     ?  
 2  1  1  A   2  DA   A    2  .  ?        ?     ?     ?  
 3  1  1  A   3  DT   A    3  .  ?        ?     ?     ?  
 4  1  1  A   4  DC   A    4  .  ?        ?     ?     ?  
 5  1  1  A   5  DC   A    5  .  ?        ?     ?     ?  
 6  1  1  A   6  DC   A    6  .  ?        ?     ?     2  
 7  1  1  A   7  DC   A    7  .  ?        ?     ?     2  
 8  1  1  A   8  DA   A    8  .  ?        ?     ?     ?  
 9  1  1  A   9  DC   A    9  .  ?        ?     ?     ?  
10  1  1  A  10  DA   A   10  .  ?        ?     ?     ?  
11  1  1  A  11  DC   A   11  .  ?        ?     ?     ?  
12  1  1  A  12  DC   A   12  .  ?        ?     ?     1  
13  1  1  A  13  DC   A   13  .  ?        ?     ?     ?  
14  1  1  A  14  DC   A   14  .  ?        ?     ?     ?  
15  1  1  A  15  DT   A   15  .  ?        ?     ?     ?  
16  1  1  A  16  DA   A   16  .  ?        ?     ?     ?  
17  1  1  A  17  DT   A   17  .  ?        ?     ?     ?  
18  1  1  A  18  DC   A   18  .  ?        ?     ?     ?  
19  1  1  A  19  DC   A   19  .  ?        ?     ?     ?  
20  1  1  A  20  DC   A   20  .  ?        ?     ?     ?  
21  1  1  A  21  DC   A   21  .  ?        ?     ?     ?  
22  1  1  A  22  DA   A   22  .  ?        ?     ?     ?  
23  1  1  A  23  DC   A   23  .  ?        ?     ?     ?  
24  1  1  A  24  DA   A   24  .  ?        ?     ?     ?  
25  1  1  A  25  DC   A   25  .  ?        ?     ?     ?  
26  1  1  A  26  DC   A   26  .  ?        ?     ?     1  
27  1  1  A  27  DC   A   27  .  ?        ?     ?     ?  
28  1  1  A  28  DC   A   28  .  ?        ?     ?     ?  
29  1  1  A  29  DT   A   29  .  ?        ?     ?     ?  
30  1  1  A  30  DA   A   30  .  ?        ?     ?     ?  
31  1  1  A  31  DT   A   31  .  ?        ?     ?     ?  
32  1  1  B   1  DT   B    1  .  ?        ?     ?     ?  
33  1  1  B   2  DA   B    2  .  ?        ?     ?     ?  
34  1  1  B   3  DT   B    3  .  ?        ?     ?     ?  
35  1  1  B   4  DC   B    4  .  ?        ?     ?     ?  
36  1  1  B   5  DC   B    5  .  ?        1     ?     ?  
37  1  1  B   6  DC   B    6  .  ?        ?     ?     1  
38  1  1  B   7  DC   B    7  .  ?        ?     ?     ?  
39  1  1  B   8  DA   B    8  .  ?        ?     ?     ?  
40  1  1  B   9  DC   B    9  .  ?        ?     ?     ?  
41  1  1  B  10  DA   B   10  .  ?        ?     ?     ?  
42  1  1  B  11  DC   B   11  .  ?        ?     ?     ?  
43  1  1  B  12  DC   B   12  .  ?        ?     ?     ?  
44  1  1  B  13  DC   B   13  .  ?        ?     ?     ?  
45  1  1  B  14  DC   B   14  .  ?        ?     ?     ?  
46  1  1  B  15  DT   B   15  .  ?        ?     ?     ?  
47  1  1  B  16  DA   B   16  .  ?        ?     ?     3  
48  1  1  B  17  DT   B   17  .  ?        ?     ?     1  
49  1  1  B  18  DC   B   18  .  ?        ?     ?     ?  
50  1  1  B  19  DC   B   19  .  ?        ?     ?     ?  
51  1  1  B  20  DC   B   20  .  ?        ?     ?     1  
52  1  1  B  21  DC   B   21  .  ?        ?     ?     ?  
53  1  1  B  22  DA   B   22  .  ?        1     ?     ?  
54  1  1  B  23  DC   B   23  .  ?        ?     ?     ?  
55  1  1  B  24  DA   B   24  .  ?        ?     ?     ?  
56  1  1  B  25  DC   B   25  .  ?        ?     ?     ?  
57  1  1  B  26  DC   B   26  .  ?        ?     ?     ?  
58  1  1  B  27  DC   B   27  .  ?        ?     ?     ?  
59  1  1  B  28  DC   B   28  .  ?        ?     ?     ?  
60  1  1  B  29  DT   B   29  .  ?        ?     ?     3  
61  1  1  B  30  DA   B   30  .  ?        ?     1     2  
62  1  1  B  31  DT   B   31  .  ?        ?     ?     1  
63  1  2  C   .  HOH  A  101  .  ?        ?     ?     ?  
64  1  2  C   .  HOH  A  102  .  ?        ?     ?     ?  
65  1  2  C   .  HOH  A  103  .  ?        ?     ?     ?  
66  1  2  C   .  HOH  A  104  .  ?        ?     ?     ?  
67  1  2  C   .  HOH  A  105  .  ?        ?     ?     ?  
68  1  2  C   .  HOH  A  106  .  ?        ?     ?     ?  
69  1  2  C   .  HOH  A  107  .  ?        ?     ?     ?  
70  1  2  C   .  HOH  A  108  .  ?        ?     ?     ?  
71  1  2  C   .  HOH  A  109  .  ?        ?     ?     ?  
72  1  2  C   .  HOH  A  110  .  ?        ?     ?     ?  
73  1  2  D   .  HOH  B  101  .  ?        ?     ?     ?  
74  1  2  D   .  HOH  B  102  .  ?        ?     ?     ?  
75  1  2  D   .  HOH  B  103  .  ?        ?     ?     ?  
76  1  2  D   .  HOH  B  104  .  ?        ?     ?     ?  
77  1  2  D   .  HOH  B  105  .  ?        ?     ?     ?  
78  1  2  D   .  HOH  B  106  .  ?        ?     ?     ?  
79  1  2  D   .  HOH  B  107  .  ?        ?     ?     ?  
80  1  2  D   .  HOH  B  108  .  ?        ?     ?     ?  
81  1  2  D   .  HOH  B  109  .  ?        ?     ?     ?  
82  1  2  D   .  HOH  B  110  .  ?        ?     ?     ?  
83  1  2  D   .  HOH  B  111  .  ?        ?     ?     ?  
84  1  2  D   .  HOH  B  112  .  ?        ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_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    13   87.290    19  0.55    30  1.29  molprobity  1.000  
 2   2    11   90.510    24  0.67    37  0.76  molprobity  1.000  
 3   3    12   91.280    22  1.08    34  1.26  molprobity  1.000  
 4   4    11   78.400    21  1.50    32  0.91  molprobity  1.000  
 5   5    11   71.880    21  1.08    32  1.05  molprobity  1.000  
 6   6    11   69.440    21  1.23    32  0.87  molprobity  1.000  
 7   7    11   67.210    21  1.31    32  1.17  molprobity  1.000  
 8   8    11   68.070    24  1.16    37  1.35  molprobity  1.000  
 9   9    11   69.930    21  0.98    32  0.74  molprobity  1.000  
10  10    11   64.070    24  1.44    37  0.84  molprobity  1.000  
11  11    11   61.370    21  0.82    32  0.77  molprobity  1.000  
12  12    11   64.880    21  1.34    32  0.75  molprobity  1.000  
13  13    11   70.040    21  1.18    32  1.12  molprobity  1.000  
14  14    11   81.500    21  0.93    32  1.07  molprobity  1.000  
15  15    12  100.090    22  0.67    34  1.27  molprobity  1.000  
16  16    11   82.810    24  0.67    37  0.62  molprobity  1.000  
17  17    12   83.380    22  0.74    34  1.16  molprobity  1.000  
18  18    11   76.320    21  0.60    32  0.57  molprobity  1.000  
19  19    11   64.300    21  1.11    32  0.68  molprobity  1.000  
20  20    11   61.170    21  1.07    32  0.76  molprobity  1.000  
21  21    11   62.460    21  1.54    32  0.83  molprobity  1.000  
22  22    11   68.610    24  0.66    37  1.02  molprobity  1.000  
23  23    11   71.750    21  1.27    32  0.63  molprobity  1.000  
24  24    11   72.290    24  0.97    37  0.65  molprobity  1.000  
25  25    11   63.020    21  1.63    32  0.88  molprobity  1.000  
26  26    11   63.860    21  1.59    32  0.86  molprobity  1.000  
27  27    11   69.730    21  1.17    32  0.84  molprobity  1.000  
28  28    11   82.990    21  1.10    32  0.65  molprobity  1.000  
29  29    12  101.760    22  0.62    34  1.29  molprobity  1.000  
30  30    11  115.740    24  0.49    37  0.62  molprobity  1.000  
31  31    13  127.620    21  1.16    30  1.30  molprobity  1.000  
32  32    13   82.330    19  0.64    30  1.15  molprobity  1.000  
33  33    11   84.160    24  1.20    37  1.14  molprobity  1.000  
34  34    12   73.850    22  0.95    34  1.21  molprobity  1.000  
35  35    11   72.360    21  1.39    32  1.17  molprobity  1.000  
36  36    11   73.740    21  1.92    32  1.03  molprobity  1.000  
37  37    11   77.600    21  1.81    32  1.09  molprobity  1.000  
38  38    11   84.150    21  0.94    32  0.73  molprobity  1.000  
39  39    11   91.430    24  0.49    37  0.67  molprobity  1.000  
40  40    11   85.920    21  0.80    32  0.72  molprobity  1.000  
41  41    11  100.590    24  0.72    37  0.71  molprobity  1.000  
42  42    11   78.160    21  0.84    32  0.78  molprobity  1.000  
43  43    11   79.340    21  1.41    32  1.32  molprobity  1.000  
44  44    11   73.090    21  1.53    32  1.02  molprobity  1.000  
45  45    11   69.970    21  1.06    32  0.87  molprobity  1.000  
46  46    12   69.810    22  0.98    34  1.16  molprobity  1.000  
47  47    11  114.130    24  0.77    37  1.03  molprobity  1.000  
48  48    12   80.030    22  1.04    34  1.25  molprobity  1.000  
49  49    11   70.250    21  1.30    32  1.02  molprobity  1.000  
50  50    11   68.450    21  1.18    32  0.86  molprobity  1.000  
51  51    11   66.870    21  1.05    32  0.91  molprobity  1.000  
52  52    11   71.960    21  1.28    32  0.90  molprobity  1.000  
53  53    11   79.580    24  1.89    37  1.04  molprobity  1.000  
54  54    11   75.970    21  1.02    32  0.68  molprobity  1.000  
55  55    11   79.170    24  0.79    37  0.87  molprobity  1.000  
56  56    11   69.340    21  1.22    32  1.11  molprobity  1.000  
57  57    11   67.180    21  1.35    32  0.91  molprobity  1.000  
58  58    11   68.810    21  1.46    32  1.06  molprobity  1.000  
59  59    11   73.910    21  1.16    32  0.66  molprobity  1.000  
60  60    12   92.270    22  0.93    34  1.53  molprobity  1.000  
61  61    11  138.930    24  0.79    37  1.62  molprobity  1.000  
62  62    13  129.810    21  1.03    30  1.32  molprobity  1.000  
63  63     ?   66.640     ?     ?     ?     ?  ?           1.000  
64  64     ?   85.050     ?     ?     ?     ?  ?           1.000  
65  65     ?   77.680     ?     ?     ?     ?  ?           1.000  
66  66     ?   71.780     ?     ?     ?     ?  ?           1.000  
67  67     ?   74.660     ?     ?     ?     ?  ?           1.000  
68  68     ?   68.200     ?     ?     ?     ?  ?           1.000  
69  69     ?   80.360     ?     ?     ?     ?  ?           1.000  
70  70     ?   77.670     ?     ?     ?     ?  ?           1.000  
71  71     ?   75.940     ?     ?     ?     ?  ?           1.000  
72  72     ?   66.630     ?     ?     ?     ?  ?           1.000  
73  73     ?   77.370     ?     ?     ?     ?  ?           1.000  
74  74     ?   74.110     ?     ?     ?     ?  ?           1.000  
75  75     ?   87.570     ?     ?     ?     ?  ?           1.000  
76  76     ?   73.140     ?     ?     ?     ?  ?           1.000  
77  77     ?   76.400     ?     ?     ?     ?  ?           1.000  
78  78     ?   79.390     ?     ?     ?     ?  ?           1.000  
79  79     ?   77.580     ?     ?     ?     ?  ?           1.000  
80  80     ?   74.870     ?     ?     ?     ?  ?           1.000  
81  81     ?   70.080     ?     ?     ?     ?  ?           1.000  
82  82     ?   81.580     ?     ?     ?     ?  ?           1.000  
83  83     ?   84.040     ?     ?     ?     ?  ?           1.000  
84  84     ?   85.760     ?     ?     ?     ?  ?           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   6  "H4'"   1  0.44  2.18  
 2   6  "H2''"  2  0.41  2.21  
 3   7  OP1     1  0.44  2.18  
 4   7  "O5'"   2  0.41  2.21  
 5  12  N3      3  0.41  2.68  
 6  26  N3      3  0.41  2.68  
 7  37  N3      4  0.44  2.66  
 8  47  "H4'"   5  0.48  2.13  
 9  47  N3      6  0.47  2.29  
10  47  "H5''"  6  0.47  2.29  
11  48  OP2     5  0.48  2.13  
12  51  N3      4  0.44  2.66  
13  60  "H2''"  7  0.88  1.53  
14  60  "H2'"   8  0.63  1.99  
15  60  O2      8  0.63  1.99  
16  61  "H5''"  7  0.88  1.53  
17  61  "H2''"  9  0.45  1.98  
18  62  H72     9  0.45  1.98  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
1  36  "C3'"  "O3'"  1.363  1.435  0.013  -5.58  
2  53  N9     C4     1.343  1.374  0.006  -5.14  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  61
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       "O4'"
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       "C4'"
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       "C3'"
_pdbx_vrpt_instance_intra_angle_outliers.obs          101.831
_pdbx_vrpt_instance_intra_angle_outliers.mean         104.500
_pdbx_vrpt_instance_intra_angle_outliers.stdev        0.400
_pdbx_vrpt_instance_intra_angle_outliers.Z            -6.67
#
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  17   0.920  0.149  -0.128  
 2   2  21   0.773  0.170   0.267  
 3   3  20   0.788  0.209   0.795  
 4   4  19   0.914  0.124  -0.469  
 5   5  19   0.898  0.141  -0.182  
 6   6  19   0.865  0.202   0.847  
 7   7  19   0.909  0.200   0.813  
 8   8  21   0.901  0.174   0.330  
 9   9  19   0.928  0.146  -0.098  
10  10  21   0.879  0.178   0.393  
11  11  19   0.916  0.154   0.037  
12  12  19   0.891  0.149  -0.047  
13  13  19   0.870  0.163   0.189  
14  14  19   0.832  0.203   0.863  
15  15  20   0.820  0.222   0.995  
16  16  21   0.838  0.212   0.930  
17  17  20   0.885  0.202   0.688  
18  18  19   0.893  0.176   0.408  
19  19  19   0.944  0.150  -0.030  
20  20  19   0.967  0.135  -0.283  
21  21  19   0.944  0.180   0.476  
22  22  21   0.875  0.218   1.025  
23  23  19   0.922  0.138  -0.233  
24  24  21   0.924  0.135  -0.286  
25  25  19   0.908  0.187   0.594  
26  26  19   0.899  0.168   0.273  
27  27  19   0.887  0.149  -0.047  
28  28  19   0.844  0.236   1.420  
29  29  20   0.863  0.174   0.257  
30  30  21   0.668  0.276   1.942  
31  31  20   0.413  0.510   5.426  
32  32  17   0.927  0.126  -0.482  
33  33  21   0.785  0.167   0.220  
34  34  20   0.814  0.165   0.118  
35  35  19   0.899  0.150  -0.030  
36  36  19   0.871  0.155   0.054  
37  37  19   0.830  0.166   0.239  
38  38  19   0.812  0.163   0.189  
39  39  21   0.741  0.273   1.894  
40  40  19   0.780  0.144  -0.132  
41  41  21   0.828  0.240   1.373  
42  42  19   0.833  0.187   0.594  
43  43  19   0.661  0.220   1.150  
44  44  19   0.857  0.160   0.138  
45  45  19   0.884  0.183   0.526  
46  46  20   0.867  0.190   0.503  
47  47  21   0.784  0.325   2.716  
48  48  20   0.858  0.184   0.411  
49  49  19   0.827  0.176   0.408  
50  50  19   0.911  0.144  -0.132  
51  51  19   0.893  0.159   0.121  
52  52  19   0.881  0.179   0.459  
53  53  21   0.809  0.173   0.314  
54  54  19   0.812  0.168   0.273  
55  55  21   0.816  0.178   0.393  
56  56  19   0.877  0.202   0.847  
57  57  19   0.909  0.140  -0.199  
58  58  19   0.843  0.178   0.442  
59  59  19   0.873  0.212   1.015  
60  60  20   0.892  0.188   0.472  
61  61  21   0.430  0.532   5.986  
62  62  20   0.128  0.548   6.011  
63  63   1   0.134  0.470       ?  
64  64   1  -0.016  0.480       ?  
65  65   1   0.638  0.295       ?  
66  66   1   0.667  0.288       ?  
67  67   1   0.403  0.427       ?  
68  68   1  -0.165  0.977       ?  
69  69   1  -0.048  0.536       ?  
70  70   1   0.286  0.544       ?  
71  71   1   0.123  0.543       ?  
72  72   1   0.846  0.506       ?  
73  73   1   0.102  1.029       ?  
74  74   1   0.936  0.222       ?  
75  75   1   0.458  0.634       ?  
76  76   1   0.318  0.573       ?  
77  77   1   0.183  0.475       ?  
78  78   1   0.537  0.344       ?  
79  79   1   0.690  0.406       ?  
80  80   1  -0.002  1.019       ?  
81  81   1   0.506  0.358       ?  
82  82   1   0.615  0.363       ?  
83  83   1   0.420  0.285       ?  
84  84   1   0.493  0.679       ?  
#
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          2.35                                                                  Y  
3  dcc          "2.26  (2020-01-20)"                                                  Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
