data_1F6C

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB  1F6C    
NDB  BD0040  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1F6C
_pdbx_vrpt_summary.PDB_deposition_date         2000-06-21
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-07
_pdbx_vrpt_summary.report_creation_date        2024-01-29:22:21
_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      "DNA (5'-D(*GP*GP*CP*GP*CP*C)-3')"  
2  non-polymer  SPERMINE  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  1  
D  1  
E  1  
F  2  
G  2  
H  3  
I  3  
J  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.7  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore    
2  RSRZ_outliers_percent  
#
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    0.28  141614     ?     ?  
2  2  1    0.22    3122  2.70  2.70  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    2737  2.70  2.70  
#
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  3  2  B  1  1  B  100.00  
 4  4  2  B  1  1  B  100.00  
 5  3  2  C  1  1  C  100.00  
 6  4  2  C  1  1  C  100.00  
 7  3  2  D  1  1  D  100.00  
 8  4  2  D  1  1  D  100.00  
 9  3  2  E  1  1  E  100.00  
10  4  2  E  1  1  E  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  0.73  0.67  134  205  
2  1  1  B  B  0.75  0.60  134  205  
3  1  1  C  C  0.77  0.49  134  205  
4  1  1  D  D  0.69  0.44  134  205  
5  1  1  E  E  0.71  0.46  134  205  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       79.16
_pdbx_vrpt_summary_geometry.num_H_reduce     377
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   670
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.54
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  1025
_pdbx_vrpt_summary_geometry.angles_RMSZ      0.73
#
_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            69.762
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         51.868
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.17(2.69A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4526
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.187
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.102
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.388
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.225
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.790
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.70
_pdbx_vrpt_summary_diffraction.EDS_res_low               50.56
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[38.476,38.476,79.656,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.789
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 13.08% 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         11
_pdbx_vrpt_summary_diffraction.centric_outliers          9
_pdbx_vrpt_summary_diffraction.data_completeness         98.86
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      0
_pdbx_vrpt_summary_diffraction.percent_free_reflections  0.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.70
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        8.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_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_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
 1  1  1  A  1  DG   A   1  .  ?        ?     ?     ?     ?  
 2  1  1  A  2  DG   A   2  .  ?        ?     ?     ?     ?  
 3  1  1  A  3  DC   A   3  .  ?        3     ?     ?     ?  
 4  1  1  A  4  DG   A   4  .  ?        5     ?     ?     ?  
 5  1  1  A  5  DC   A   5  .  ?        4     ?     ?     ?  
 6  1  1  A  6  DC   A   6  .  ?        2     ?     ?     ?  
 7  1  1  B  1  DG   B   7  .  ?        1     ?     ?     ?  
 8  1  1  B  2  DG   B   8  .  ?        7     ?     ?     ?  
 9  1  1  B  3  DC   B   9  .  ?        9     ?     ?     ?  
10  1  1  B  4  DG   B  10  .  ?       19     ?     ?     ?  
11  1  1  B  5  DC   B  11  .  ?       13     ?     ?     ?  
12  1  1  B  6  DC   B  12  .  ?        3     ?     ?     ?  
13  1  1  C  1  DG   C  13  .  ?        ?     ?     ?     ?  
14  1  1  C  2  DG   C  14  .  ?        2     ?     ?     ?  
15  1  1  C  3  DC   C  15  .  ?        6     ?     ?     ?  
16  1  1  C  4  DG   C  16  .  ?        ?     ?     ?     ?  
17  1  1  C  5  DC   C  17  .  ?        ?     ?     ?     ?  
18  1  1  C  6  DC   C  18  .  ?        ?     ?     ?     ?  
19  1  1  D  1  DG   D  19  .  ?        4     ?     ?     ?  
20  1  1  D  2  DG   D  20  .  ?        2     ?     ?     ?  
21  1  1  D  3  DC   D  21  .  ?        4     ?     ?     ?  
22  1  1  D  4  DG   D  22  .  ?        5     ?     ?     ?  
23  1  1  D  5  DC   D  23  .  ?        6     ?     ?     ?  
24  1  1  D  6  DC   D  24  .  ?        5     ?     ?     ?  
25  1  1  E  1  DG   E  25  .  ?        3     ?     ?     ?  
26  1  1  E  2  DG   E  26  .  ?        ?     ?     ?     ?  
27  1  1  E  3  DC   E  27  .  ?        3     ?     ?     ?  
28  1  1  E  4  DG   E  28  .  ?       12     ?     ?     ?  
29  1  1  E  5  DC   E  29  .  ?       12     ?     ?     ?  
30  1  1  E  6  DC   E  30  .  ?        5     ?     ?     ?  
31  1  2  F  .  SPM  B  32  .  ?        4     ?     1     1  
32  1  2  G  .  SPM  D  31  .  ?        5     7     5     4  
33  1  3  H  .  HOH  A  34  .  ?        1     ?     ?     ?  
34  1  3  H  .  HOH  A  36  .  ?        ?     ?     ?     ?  
35  1  3  H  .  HOH  A  38  .  ?        ?     ?     ?     ?  
36  1  3  H  .  HOH  A  39  .  ?        ?     ?     ?     ?  
37  1  3  I  .  HOH  B  33  .  ?        1     ?     ?     ?  
38  1  3  I  .  HOH  B  42  .  ?        ?     ?     ?     ?  
39  1  3  I  .  HOH  B  44  .  ?        ?     ?     ?     ?  
40  1  3  J  .  HOH  C  35  .  ?        ?     ?     ?     ?  
41  1  3  J  .  HOH  C  37  .  ?        ?     ?     ?     ?  
42  1  3  J  .  HOH  C  40  .  ?        ?     ?     ?     ?  
43  1  3  J  .  HOH  C  41  .  ?        ?     ?     ?     ?  
44  1  3  J  .  HOH  C  43  .  ?        ?     ?     ?     ?  
45  1  3  J  .  HOH  C  45  .  ?        ?     ?     ?     ?  
46  1  3  J  .  HOH  C  46  .  ?        ?     ?     ?     ?  
47  1  3  J  .  HOH  C  47  .  ?        ?     ?     ?     ?  
48  1  3  J  .  HOH  C  48  .  ?        ?     ?     ?     ?  
#
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    12  18.720    22  0.88    35  0.52  molprobity  1.000  
 2   2    11  23.670    25  0.78    39  0.62  molprobity  1.000  
 3   3    11  20.500    21  0.60    32  0.84  molprobity  1.000  
 4   4    11  23.230    25  0.53    39  0.75  molprobity  1.000  
 5   5    11  29.810    21  0.54    32  0.77  molprobity  1.000  
 6   6    12  31.920    20  0.62    28  0.89  molprobity  1.000  
 7   7    12  15.200    22  0.81    35  0.48  molprobity  1.000  
 8   8    11  19.490    25  0.65    39  0.78  molprobity  1.000  
 9   9    11  26.990    21  0.32    32  0.68  molprobity  1.000  
10  10    11  35.050    25  0.68    39  0.82  molprobity  1.000  
11  11    11  42.860    21  0.51    32  0.94  molprobity  1.000  
12  12    12  34.050    20  0.48    28  0.67  molprobity  1.000  
13  13    12  33.520    22  0.51    35  0.47  molprobity  1.000  
14  14    11  36.800    25  0.53    39  0.79  molprobity  1.000  
15  15    11  39.730    21  0.36    32  0.83  molprobity  1.000  
16  16    11  31.700    25  0.53    39  0.87  molprobity  1.000  
17  17    11  28.720    21  0.43    32  0.59  molprobity  1.000  
18  18    12  19.910    20  0.55    28  0.95  molprobity  1.000  
19  19    12  35.170    22  0.43    35  0.42  molprobity  1.000  
20  20    11  47.310    25  0.41    39  0.56  molprobity  1.000  
21  21    11  67.360    21  0.49    32  0.83  molprobity  1.000  
22  22    11  48.300    25  0.48    39  0.70  molprobity  1.000  
23  23    11  58.570    21  0.42    32  0.81  molprobity  1.000  
24  24    12  38.100    20  0.40    28  0.77  molprobity  1.000  
25  25    12  37.740    22  0.46    35  0.51  molprobity  1.000  
26  26    11  52.580    25  0.49    39  0.67  molprobity  1.000  
27  27    11  49.380    21  0.61    32  0.76  molprobity  1.000  
28  28    11  51.370    25  0.43    39  0.61  molprobity  1.000  
29  29    11  53.480    21  0.43    32  0.88  molprobity  1.000  
30  30    12  43.820    20  0.28    28  0.78  molprobity  1.000  
31  31    11  21.120     6  1.20     5  1.92  mogul       1.000  
32  32    26  36.970    13  2.48    12  2.33  mogul       1.000  
33  33     ?   5.870     ?     ?     ?     ?  ?           1.000  
34  34     ?  16.140     ?     ?     ?     ?  ?           1.000  
35  35     ?  48.530     ?     ?     ?     ?  ?           1.000  
36  36     ?  24.830     ?     ?     ?     ?  ?           1.000  
37  37     ?  12.040     ?     ?     ?     ?  ?           1.000  
38  38     ?  32.600     ?     ?     ?     ?  ?           1.000  
39  39     ?  42.100     ?     ?     ?     ?  ?           1.000  
40  40     ?  69.150     ?     ?     ?     ?  ?           1.000  
41  41     ?  83.320     ?     ?     ?     ?  ?           1.000  
42  42     ?  92.410     ?     ?     ?     ?  ?           1.000  
43  43     ?  41.580     ?     ?     ?     ?  ?           1.000  
44  44     ?  51.220     ?     ?     ?     ?  ?           1.000  
45  45     ?  35.820     ?     ?     ?     ?  ?           1.000  
46  46     ?  69.620     ?     ?     ?     ?  ?           1.000  
47  47     ?  30.510     ?     ?     ?     ?  ?           1.000  
48  48     ?  58.160     ?     ?     ?     ?  ?           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   3  H41      1  0.58  1.51  
  2   3  N4       2  0.47  2.13  
  3   3  N4       3  0.47  2.61  
  4   4  "H2''"   4  0.97  1.46  
  5   4  "H2''"   5  0.75  2.16  
  6   4  O6       6  0.63  1.99  
  7   4  "H1'"    7  0.58  1.86  
  8   4  "C2'"    8  0.52  2.86  
  9   5  "H5'"    4  0.97  1.46  
 10   5  "C5'"    5  0.75  2.16  
 11   5  "C5'"    8  0.52  2.86  
 12   5  "H5''"   7  0.58  1.86  
 13   6  "H2'"    9  0.57  2.05  
 14   6  "H2'"   10  0.50  2.41  
 15   7  N7      11  0.43  2.33  
 16   8  O6      12  0.83  1.77  
 17   8  O6      13  0.79  2.30  
 18   8  O6      14  0.52  2.42  
 19   8  "H2''"  15  0.81  1.62  
 20   8  "H2''"  16  0.76  2.15  
 21   8  "H2''"  17  0.46  1.94  
 22   8  "C2'"   18  0.65  2.27  
 23   9  "H2''"  19  0.99  1.44  
 24   9  "H2''"  20  0.73  2.23  
 25   9  "H2''"  21  0.42  2.32  
 26   9  "H5''"  15  0.81  1.62  
 27   9  "H5''"  18  0.65  2.27  
 28   9  "C5'"   16  0.76  2.15  
 29   9  "C2'"   22  0.68  2.22  
 30   9  "H1'"   23  0.60  2.01  
 31   9  "H5'"   17  0.46  1.94  
 32  10  "H2''"  24  1.30  1.59  
 33  10  "H2''"  25  1.07  1.08  
 34  10  "H2''"  26  0.90  1.50  
 35  10  "C2'"   27  1.00  1.90  
 36  10  "C2'"   28  0.79  2.51  
 37  10  "H5''"  19  0.99  1.44  
 38  10  "H5''"  22  0.68  2.22  
 39  10  "H5''"  29  0.43  2.53  
 40  10  C8      20  0.73  2.23  
 41  10  C8      30  0.61  2.83  
 42  10  C8      31  0.58  2.37  
 43  10  C8      29  0.43  2.53  
 44  10  H8      32  0.70  1.56  
 45  10  H8      33  0.66  2.09  
 46  10  "H5'"   32  0.70  1.56  
 47  10  "H5'"   31  0.58  2.37  
 48  10  "C5'"   33  0.66  2.09  
 49  10  "C5'"   30  0.61  2.83  
 50  10  "C5'"   21  0.42  2.32  
 51  11  "C5'"   24  1.30  1.59  
 52  11  "C5'"   28  0.79  2.51  
 53  11  "C5'"   34  0.46  2.16  
 54  11  "H5''"  25  1.07  1.08  
 55  11  "H5''"  27  1.00  1.90  
 56  11  "H5'"   35  0.94  1.31  
 57  11  "H5'"   26  0.90  1.50  
 58  11  "H5'"   36  0.69  2.22  
 59  11  H6      35  0.94  1.31  
 60  11  H6      34  0.46  2.16  
 61  11  "H2''"  37  0.79  1.82  
 62  11  C6      36  0.69  2.22  
 63  11  "C2'"   38  0.41  3.04  
 64  12  "O5'"   37  0.79  1.82  
 65  12  "H2'"   39  0.62  2.00  
 66  12  C6      38  0.41  3.04  
 67  14  "H2''"  40  0.53  2.38  
 68  14  "H2''"  41  0.49  1.92  
 69  15  "C5'"   40  0.53  2.38  
 70  15  "H5'"   41  0.49  1.92  
 71  15  "H5'"   42  0.46  1.81  
 72  15  "H5'"   43  0.42  2.55  
 73  15  H6      42  0.46  1.81  
 74  15  C6      43  0.42  2.55  
 75  19  "O4'"    9  0.57  2.05  
 76  19  "H2''"  44  0.55  2.41  
 77  19  "H2''"  45  0.53  1.73  
 78  19  "C4'"   10  0.50  2.41  
 79  20  C8      44  0.55  2.41  
 80  20  H8      45  0.53  1.73  
 81  21  H42     46  0.60  1.47  
 82  21  N4      47  0.55  2.05  
 83  21  "H2''"  48  0.53  2.44  
 84  21  "H2''"  49  0.49  2.13  
 85  22  "H2''"  50  0.76  1.85  
 86  22  H8      51  0.59  1.85  
 87  22  OP2     51  0.59  1.85  
 88  22  OP2     49  0.49  2.13  
 89  22  C8      48  0.53  2.44  
 90  23  "C2'"   52  1.21  1.70  
 91  23  "H2''"  53  1.07  1.84  
 92  23  "H2''"  54  0.97  0.97  
 93  23  "H2''"  55  0.44  2.45  
 94  23  OP2     50  0.76  1.85  
 95  23  "C3'"   56  0.69  2.21  
 96  24  "H5''"  52  1.21  1.70  
 97  24  "H5''"  54  0.97  0.97  
 98  24  "H5''"  56  0.69  2.21  
 99  24  "C5'"   53  1.07  1.84  
100  24  "C4'"   55  0.44  2.45  
101  25  "O4'"   39  0.62  2.00  
102  25  "HO5'"  57  0.60  1.49  
103  25  H8      57  0.60  1.49  
104  27  "H2''"  58  1.06  1.90  
105  27  "H2''"  59  0.61  1.58  
106  27  "H2''"  60  0.52  2.23  
107  28  "H2''"  61  1.24  1.68  
108  28  "H2''"  62  0.94  0.96  
109  28  "H2''"  63  0.60  1.77  
110  28  "C2'"   64  1.16  1.75  
111  28  "C2'"   65  0.67  2.51  
112  28  C8      58  1.06  1.90  
113  28  H8      59  0.61  1.58  
114  28  H1      46  0.60  1.47  
115  28  H1      47  0.55  2.05  
116  28  "C3'"   66  0.60  2.26  
117  28  "C3'"   67  0.40  2.94  
118  28  N7      60  0.52  2.23  
119  29  "C5'"   61  1.24  1.68  
120  29  "C5'"   65  0.67  2.51  
121  29  "C5'"   67  0.40  2.94  
122  29  "H5''"  64  1.16  1.75  
123  29  "H5''"  62  0.94  0.96  
124  29  "H5''"  66  0.60  2.26  
125  29  "H2''"  68  0.71  2.25  
126  29  "H2''"  69  0.67  1.60  
127  29  "C2'"   70  0.67  2.78  
128  29  "C2'"   71  0.41  2.27  
129  29  "H5'"   63  0.60  1.77  
130  29  "H2'"   72  0.43  2.54  
131  30  C6      68  0.71  2.25  
132  30  C6      70  0.67  2.78  
133  30  C6      72  0.43  2.54  
134  30  H6      69  0.67  1.60  
135  30  H6      71  0.41  2.27  
136  31  H22     12  0.83  1.77  
137  31  C2      13  0.79  2.30  
138  31  N1      14  0.52  2.42  
139  31  H21     11  0.43  2.33  
140  32  H131     6  0.63  1.99  
141  32  HN42     1  0.58  1.51  
142  32  HN42     2  0.47  2.13  
143  32  H122    73  0.57  2.05  
144  32  N14      3  0.47  2.61  
145  33  O       73  0.57  2.05  
146  37  O       23  0.60  2.01  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  32  C6   N5   1.58  1.46   2317  0.03   3.33  0.00  
2  32  C7   C6   1.61  1.51   4997  0.04   2.53  0.00  
3  32  C8   C7   1.33  1.51  10000  0.06  -3.20  0.00  
4  32  C8   C9   1.65  1.51   4997  0.04   3.51  0.00  
5  32  C9   N10  1.58  1.46   2317  0.03   3.56  0.00  
6  32  C11  N10  1.58  1.46   2317  0.03   3.50  0.00  
7  32  C12  C11  1.65  1.51   4997  0.04   3.39  0.00  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  31  C4   N5   C6   105.14  113.43    96  2.13  -3.89  2.92  
2  32  C7   C6   N5   102.74  112.14   448  2.70  -3.48  0.83  
3  32  C7   C8   C9    97.34  113.56  1892  4.74  -3.43  0.02  
4  32  C8   C9   N10   98.49  112.14   448  2.70  -5.06  0.19  
5  32  C12  C11  N10  106.02  112.14   448  2.70  -2.27  0.06  
6  32  C11  C12  C13  104.08  114.28   349  3.66  -2.78  2.23  
#
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  31  C2   C3   C4   N5      1.05  89.29  1315  46.38  13.57  0.00  
2  32  C2   C3   C4   N5      6.20  84.14  1315  46.38   8.42  0.08  
3  32  N5   C6   C7   C8    150.15  48.70  3173  32.02   0.74  1.10  
4  32  N10  C11  C12  C13  -152.14  71.33  1315  29.71   2.48  0.84  
5  32  C11  C12  C13  N14  -144.08  50.54    92  30.04   1.55  2.17  
#
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  19  0.970  0.193   0.333  
 2   2  22  0.968  0.177   0.064  
 3   3  19  0.961  0.169  -0.190  
 4   4  22  0.974  0.153  -0.339  
 5   5  19  0.963  0.162  -0.296  
 6   6  19  0.961  0.186   0.066  
 7   7  19  0.968  0.176   0.047  
 8   8  22  0.964  0.182   0.148  
 9   9  19  0.943  0.188   0.097  
10  10  22  0.919  0.161  -0.205  
11  11  19  0.912  0.162  -0.296  
12  12  19  0.881  0.187   0.082  
13  13  19  0.946  0.220   0.787  
14  14  22  0.960  0.173  -0.003  
15  15  19  0.951  0.146  -0.538  
16  16  22  0.914  0.152  -0.356  
17  17  19  0.963  0.155  -0.402  
18  18  19  0.986  0.144  -0.568  
19  19  19  0.943  0.265   1.543  
20  20  22  0.909  0.172  -0.020  
21  21  19  0.820  0.199   0.263  
22  22  22  0.819  0.170  -0.054  
23  23  19  0.871  0.183   0.021  
24  24  19  0.932  0.278   1.456  
25  25  19  0.926  0.146  -0.457  
26  26  22  0.840  0.193   0.333  
27  27  19  0.807  0.214   0.489  
28  28  22  0.897  0.187   0.232  
29  29  19  0.884  0.203   0.323  
30  30  19  0.928  0.219   0.565  
31  31   7  0.907  0.519       ?  
32  32  14  0.854  0.304       ?  
33  33   1  0.902  0.168       ?  
34  34   1  0.872  0.795       ?  
35  35   1  0.865  1.091       ?  
36  36   1  0.965  0.586       ?  
37  37   1  0.955  0.251       ?  
38  38   1  0.979  0.080       ?  
39  39   1  0.764  0.886       ?  
40  40   1  0.765  0.545       ?  
41  41   1  0.767  1.398       ?  
42  42   1  0.630  1.527       ?  
43  43   1  0.740  0.158       ?  
44  44   1  0.875  0.195       ?  
45  45   1  0.965  0.530       ?  
46  46   1  0.796  0.457       ?  
47  47   1  0.940  0.457       ?  
48  48   1  0.890  0.332       ?  
#
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          2.36                                                                  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  
##
