data_3CW6

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB  3CW6    
NDB  UR0140  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3CW6
_pdbx_vrpt_summary.PDB_deposition_date         2008-04-21
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-02-21
_pdbx_vrpt_summary.RNA_suiteness               0.39
_pdbx_vrpt_summary.report_creation_date        2024-02-11:11:41
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Initiator tRNA"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  3.3  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         
4  RNAsuiteness_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  22.08  141614     ?     ?  
2  2  1  52.86    1205  3.26  3.34  
3  1  2  10.97  127900     ?     ?  
4  2  2  10.76    1115  3.26  3.34  
5  1  3  19.18  130704     ?     ?  
6  2  3  57.80    1149  3.26  3.34  
7  1  4  21.21    3102     ?     ?  
8  2  4  20.32    1117  2.90  3.70  
#
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  10.97  
2  4  2  A  1  1  A  10.76  
#
_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      1.57
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.89
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1725
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2687
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       11.66
_pdbx_vrpt_summary_geometry.num_H_reduce     842
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   1725
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.89
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  2687
_pdbx_vrpt_summary_geometry.angles_RMSZ      1.57
#
_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            57.091
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         114.908
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.84(3.32A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7902
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.426
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.127
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.434
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.261
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.840
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.30
_pdbx_vrpt_summary_diffraction.EDS_res_low               39.93
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[114.396,114.396,160.188,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.353
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 3.51% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             PARTIAL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         86.09
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      779
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.86
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     8.33
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.30
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        38.91
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
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
_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  C    A   1  .  ?        1     1     ?     ?     ?     ?  
 2  1  1  A   2  G    A   2  .  ?        ?     ?     ?     ?     ?     ?  
 3  1  1  A   3  C    A   3  .  ?        ?     ?     ?     ?     ?     ?  
 4  1  1  A   4  G    A   4  .  ?        ?     ?     ?     ?     ?     ?  
 5  1  1  A   5  G    A   5  .  ?        ?     1     ?     ?     ?     ?  
 6  1  1  A   6  G    A   6  .  ?        ?     ?     ?     ?     ?     ?  
 7  1  1  A   7  G    A   7  .  ?        ?     ?     ?     ?     ?     ?  
 8  1  1  A   8  4SU  A   8  .  ?        ?     ?     ?     5    10     1  
 9  1  1  A   9  G    A   9  .  ?        ?     2     1     ?     ?     ?  
10  1  1  A  10  G    A  10  .  ?        ?     ?     2     ?     ?     ?  
11  1  1  A  11  A    A  11  .  ?        ?     ?     2     ?     ?     ?  
12  1  1  A  12  G    A  12  .  ?        ?     ?     ?     ?     ?     ?  
13  1  1  A  13  C    A  13  .  ?        ?     1     2     ?     ?     ?  
14  1  1  A  14  A    A  14  .  ?        ?     ?     4     ?     ?     ?  
15  1  1  A  15  G    A  15  .  ?        ?     ?     2     ?     ?     ?  
16  1  1  A  16  C    A  16  .  ?        ?     2     1     ?     ?     ?  
17  1  1  A  17  C    A  17  .  ?        ?     3     1     ?     ?     ?  
18  1  1  A  18  U    A  17  .  A        ?     2     1     ?     ?     ?  
19  1  1  A  19  G    A  18  .  ?        ?     ?     ?     ?     ?     ?  
20  1  1  A  20  G    A  19  .  ?        ?     ?     2     ?     ?     ?  
21  1  1  A  21  H2U  A  20  .  ?        ?     ?     7     2     2     6  
22  1  1  A  22  A    A  21  .  ?        ?     ?     3     ?     ?     ?  
23  1  1  A  23  G    A  22  .  ?        ?     1     6     ?     ?     ?  
24  1  1  A  24  C    A  23  .  ?        ?     ?     1     ?     ?     ?  
25  1  1  A  25  U    A  24  .  ?        ?     1     1     ?     ?     ?  
26  1  1  A  26  C    A  25  .  ?        ?     ?     ?     ?     ?     ?  
27  1  1  A  27  G    A  26  .  ?        ?     ?     ?     ?     ?     ?  
28  1  1  A  28  U    A  27  .  ?        ?     ?     2     ?     ?     ?  
29  1  1  A  29  C    A  28  .  ?        ?     ?     2     ?     ?     ?  
30  1  1  A  30  G    A  29  .  ?        ?     ?     ?     ?     ?     ?  
31  1  1  A  31  G    A  30  .  ?        ?     ?     ?     ?     ?     ?  
32  1  1  A  32  G    A  31  .  ?        ?     ?     ?     ?     ?     ?  
33  1  1  A  33  OMC  A  32  .  ?        ?     ?     ?     ?     1     1  
34  1  1  A  34  U    A  33  .  ?        ?     ?     ?     ?     ?     ?  
35  1  1  A  35  C    A  34  .  ?        ?     ?     ?     ?     ?     ?  
36  1  1  A  36  A    A  35  .  ?        ?     ?     ?     ?     ?     ?  
37  1  1  A  37  U    A  36  .  ?        ?     ?     ?     ?     ?     ?  
38  1  1  A  38  A    A  37  .  ?        ?     ?     ?     ?     ?     ?  
39  1  1  A  39  A    A  38  .  ?        ?     ?     ?     ?     ?     ?  
40  1  1  A  40  C    A  39  .  ?        ?     ?     ?     ?     ?     ?  
41  1  1  A  41  C    A  40  .  ?        ?     ?     ?     ?     ?     ?  
42  1  1  A  42  C    A  41  .  ?        ?     ?     ?     ?     ?     ?  
43  1  1  A  43  G    A  42  .  ?        ?     ?     ?     ?     ?     ?  
44  1  1  A  44  A    A  43  .  ?        ?     ?     ?     ?     ?     ?  
45  1  1  A  45  A    A  44  .  ?        ?     ?     ?     ?     ?     ?  
46  1  1  A  46  G    A  45  .  ?        ?     ?     3     ?     ?     ?  
47  1  1  A  47  A    A  46  .  ?        ?     ?     ?     ?     ?     ?  
48  1  1  A  48  U    A  47  .  ?        ?     2     ?     ?     ?     ?  
49  1  1  A  49  C    A  48  .  ?        ?     3     1     ?     ?     ?  
50  1  1  A  50  G    A  49  .  ?        ?     1     ?     ?     ?     ?  
51  1  1  A  51  U    A  50  .  ?        ?     ?     ?     ?     ?     ?  
52  1  1  A  52  C    A  51  .  ?        ?     ?     1     ?     ?     ?  
53  1  1  A  53  G    A  52  .  ?        ?     ?     1     ?     ?     ?  
54  1  1  A  54  G    A  53  .  ?        ?     1     ?     ?     ?     ?  
55  1  1  A  55  5MU  A  54  .  ?        ?     ?     ?     6     9     ?  
56  1  1  A  56  PSU  A  55  .  ?        ?     ?     ?     2     6     1  
57  1  1  A  57  C    A  56  .  ?        ?     2     2     ?     ?     ?  
58  1  1  A  58  A    A  57  .  ?        ?     ?     2     ?     ?     ?  
59  1  1  A  59  A    A  58  .  ?        ?     1     ?     ?     ?     ?  
60  1  1  A  60  A    A  59  .  ?        ?     ?     3     ?     ?     ?  
61  1  1  A  61  U    A  60  .  ?        ?     1     ?     ?     ?     ?  
62  1  1  A  62  C    A  61  .  ?        ?     ?     1     ?     ?     ?  
63  1  1  A  63  C    A  62  .  ?        ?     ?     ?     ?     ?     ?  
64  1  1  A  64  G    A  63  .  ?        ?     ?     ?     ?     ?     ?  
65  1  1  A  65  G    A  64  .  ?        ?     1     ?     ?     ?     ?  
66  1  1  A  66  C    A  65  .  ?        ?     ?     ?     ?     ?     ?  
67  1  1  A  67  C    A  66  .  ?        ?     ?     ?     ?     ?     ?  
68  1  1  A  68  C    A  67  .  ?        ?     ?     ?     ?     ?     ?  
69  1  1  A  69  C    A  68  .  ?        ?     ?     ?     ?     ?     ?  
70  1  1  A  70  C    A  69  .  ?        ?     ?     ?     ?     ?     ?  
71  1  1  A  71  G    A  70  .  ?        ?     ?     ?     ?     ?     ?  
72  1  1  A  72  C    A  71  .  ?        ?     ?     ?     ?     ?     ?  
73  1  1  A  73  A    A  72  .  ?        ?     ?     1     ?     ?     ?  
74  1  1  A  74  A    A  73  .  ?        ?     ?     1     ?     ?     ?  
75  1  1  A  75  C    A  74  .  ?        ?     1     ?     ?     ?     ?  
76  1  1  A  76  C    A  75  .  ?        ?     ?     ?     ?     ?     ?  
77  1  1  A  77  A    A  76  .  ?        ?     2     ?     ?     ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.RNA_score
_pdbx_vrpt_model_instance_geometry.RNA_suite
_pdbx_vrpt_model_instance_geometry.RNA_pucker
_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  0.00  NotAvailable       ?        11  119.890  23  2.39  34  2.26  molprobity  1.000  
 2   2  0.00  NonRotameric       ?        11  103.500  26  0.57  41  1.03  molprobity  1.000  
 3   3  0.01  Rotameric          ?        11  101.880  22  0.76  34  1.67  molprobity  1.000  
 4   4  0.00  NonRotameric       ?        11   98.030  26  0.65  41  1.04  molprobity  1.000  
 5   5  0.77  Rotameric          ?        11   89.500  26  1.03  41  1.58  molprobity  1.000  
 6   6  0.04  Rotameric          ?        11   82.010  26  0.79  41  1.53  molprobity  1.000  
 7   7  0.01  Rotameric          ?        11   77.840  25  0.62  37  1.25  molprobity  1.000  
 8   8  0.00  NonRotameric       ?        10   83.970  18  2.07  26  3.35  mogul       1.000  
 9   9  0.00  Triaged/NotBinned  outlier  11   78.550  26  1.19  41  2.01  molprobity  1.000  
10  10  0.00  NonRotameric       ?        11   84.100  26  0.49  41  1.17  molprobity  1.000  
11  11  0.62  Rotameric          ?        11   84.370  25  0.93  39  1.28  molprobity  1.000  
12  12  0.49  Rotameric          ?        11   83.510  26  1.12  41  1.58  molprobity  1.000  
13  13  0.00  Triaged/NotBinned  outlier  11   77.100  22  0.62  34  2.07  molprobity  1.000  
14  14  0.00  Triaged/NotBinned  ?        11   73.180  25  1.04  39  2.01  molprobity  1.000  
15  15  0.19  Rotameric          ?        11   70.670  26  1.13  41  1.67  molprobity  1.000  
16  16  0.00  Triaged/NotBinned  ?        11   75.530  22  1.12  34  2.46  molprobity  1.000  
17  17  0.40  Rotameric          ?        11   71.380  22  1.13  34  2.83  molprobity  1.000  
18  18  0.67  Rotameric          ?        10   72.860  22  1.23  34  2.08  molprobity  1.000  
19  19  0.00  Triaged/NotBinned  ?        11   75.710  26  0.99  41  1.39  molprobity  1.000  
20  20  0.04  Rotameric          outlier  11   71.220  25  1.04  37  1.84  molprobity  1.000  
21  21  0.00  Triaged/NotBinned  ?        12   79.060  18  1.21  21  2.93  mogul       1.000  
22  22  0.00  Triaged/NotBinned  ?        11   76.940  25  1.48  39  1.34  molprobity  1.000  
23  23  0.05  Rotameric          ?        11   73.680  26  1.22  41  2.32  molprobity  1.000  
24  24  0.15  Rotameric          ?        11   66.120  22  1.13  34  1.53  molprobity  1.000  
25  25  0.77  Rotameric          ?        10   73.470  22  1.01  34  2.40  molprobity  1.000  
26  26  0.45  Rotameric          ?        11   76.510  22  1.04  34  1.30  molprobity  1.000  
27  27  0.34  Rotameric          ?        11   79.570  26  0.64  41  1.19  molprobity  1.000  
28  28  0.78  Rotameric          ?        10   80.440  22  0.75  34  1.04  molprobity  1.000  
29  29  0.89  Rotameric          ?        11   85.190  22  0.57  34  0.91  molprobity  1.000  
30  30  0.62  Rotameric          ?        11   83.500  26  0.51  41  0.90  molprobity  1.000  
31  31  0.29  Rotameric          ?        11   84.580  26  0.52  41  1.28  molprobity  1.000  
32  32  0.00  Triaged/NotBinned  ?        11   83.720  25  0.44  37  1.18  molprobity  1.000  
33  33  0.83  Rotameric          ?        13   84.340  19  0.45  26  0.74  mogul       1.000  
34  34  0.07  Rotameric          ?        10   81.550  22  0.92  34  1.43  molprobity  1.000  
35  35  0.00  NonRotameric       ?        11   76.250  22  0.74  34  1.10  molprobity  1.000  
36  36  0.46  Rotameric          ?        11   68.070  25  0.78  39  0.88  molprobity  1.000  
37  37  0.04  Rotameric          ?        10   73.470  22  0.70  34  1.44  molprobity  1.000  
38  38  0.00  NonRotameric       outlier  11   87.890  25  0.65  39  1.32  molprobity  1.000  
39  39  0.00  NonRotameric       ?        11   88.890  25  0.70  39  1.18  molprobity  1.000  
40  40  0.36  Rotameric          ?        11   95.880  22  0.65  34  1.00  molprobity  1.000  
41  41  0.93  Rotameric          ?        11  100.410  22  0.71  34  1.07  molprobity  1.000  
42  42  0.75  Rotameric          ?        11  100.060  22  0.81  34  1.31  molprobity  1.000  
43  43  0.00  NonRotameric       ?        11   91.130  26  0.40  41  1.46  molprobity  1.000  
44  44  0.22  Rotameric          ?        11   84.260  25  0.69  39  1.34  molprobity  1.000  
45  45  0.04  Rotameric          ?        11   83.340  25  0.57  39  0.89  molprobity  1.000  
46  46  0.46  Rotameric          ?        11   83.170  26  0.72  41  1.06  molprobity  1.000  
47  47  0.02  Rotameric          outlier  11   92.520  25  1.02  39  1.87  molprobity  1.000  
48  48  0.00  Triaged/NotBinned  outlier  10  109.140  22  1.42  34  2.26  molprobity  1.000  
49  49  0.00  NonRotameric       ?        11   79.770  22  1.18  34  2.41  molprobity  1.000  
50  50  0.00  Triaged/NotBinned  ?        11   83.850  26  0.75  41  1.80  molprobity  1.000  
51  51  0.83  Rotameric          ?        10   90.700  22  0.75  34  1.01  molprobity  1.000  
52  52  0.95  Rotameric          ?        11   92.860  22  0.64  34  0.72  molprobity  1.000  
53  53  0.01  Rotameric          ?        11   80.770  26  0.69  41  1.31  molprobity  1.000  
54  54  0.07  Rotameric          ?        11   74.390  25  0.88  37  1.80  molprobity  1.000  
55  55  0.47  Rotameric          ?        12   71.240  19  1.60  28  2.18  mogul       1.000  
56  56  0.17  Rotameric          ?        10   69.950  18  1.46  22  1.92  mogul       1.000  
57  57  0.00  NonRotameric       ?        11   72.180  22  1.19  34  2.46  molprobity  1.000  
58  58  0.53  Rotameric          ?        11   69.660  25  1.19  39  1.67  molprobity  1.000  
59  59  0.70  Rotameric          ?        11   68.860  25  1.39  39  1.54  molprobity  1.000  
60  60  0.00  Triaged/NotBinned  ?        11   72.690  25  0.92  39  1.84  molprobity  1.000  
61  61  0.00  NonRotameric       ?        10   78.990  22  0.74  34  2.18  molprobity  1.000  
62  62  0.41  Rotameric          ?        11   74.620  22  0.60  34  1.40  molprobity  1.000  
63  63  0.74  Rotameric          ?        11   78.190  22  0.65  34  1.14  molprobity  1.000  
64  64  0.83  Rotameric          ?        11   78.940  26  0.53  41  1.11  molprobity  1.000  
65  65  0.64  Rotameric          ?        11   83.660  26  0.63  41  1.83  molprobity  1.000  
66  66  0.14  Rotameric          ?        11   86.550  22  0.58  34  1.40  molprobity  1.000  
67  67  0.94  Rotameric          ?        11   86.180  22  0.68  34  0.96  molprobity  1.000  
68  68  0.91  Rotameric          ?        11   84.160  22  0.42  34  1.07  molprobity  1.000  
69  69  0.88  Rotameric          ?        11   81.730  22  0.47  34  1.12  molprobity  1.000  
70  70  0.72  Rotameric          ?        11   77.720  22  0.75  34  1.51  molprobity  1.000  
71  71  0.73  Rotameric          ?        11   81.900  26  0.51  41  1.17  molprobity  1.000  
72  72  0.67  Rotameric          ?        11   83.060  22  1.06  34  1.40  molprobity  1.000  
73  73  0.35  Rotameric          ?        11   84.640  25  0.43  39  1.27  molprobity  1.000  
74  74  0.75  Rotameric          ?        11   87.350  25  0.63  39  0.91  molprobity  1.000  
75  75  0.34  Rotameric          ?        11   83.830  22  0.98  34  1.72  molprobity  1.000  
76  76  0.48  Rotameric          ?        11   76.920  22  0.56  34  1.20  molprobity  1.000  
77  77  0.00  NonRotameric       ?        12   85.790  24  0.79  35  2.41  molprobity  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   9  N3       1  0.49  2.27  
 2  10  "H2'"    2  0.61  1.66  
 3  10  "H2'"    3  0.43  2.50  
 4  11  H8       2  0.61  1.66  
 5  11  C8       3  0.43  2.50  
 6  13  "C2'"    4  0.55  2.55  
 7  13  "H2'"    5  0.47  2.15  
 8  14  "O5'"    4  0.55  2.55  
 9  14  "O5'"    5  0.47  2.15  
10  14  C5       6  0.52  2.97  
11  14  C4       7  0.48  2.82  
12  15  N2       8  0.49  2.80  
13  15  N2       9  0.41  2.88  
14  16  "O2'"   10  0.67  2.12  
15  17  "H3'"   11  0.58  1.84  
16  18  "H2'"   11  0.58  1.84  
17  20  C5      12  0.57  2.92  
18  20  C4      13  0.50  2.99  
19  21  "O2'"   14  0.75  2.03  
20  21  "O2'"   15  0.51  2.68  
21  21  "H4'"   16  0.67  1.93  
22  21  OP1     16  0.67  1.93  
23  21  OP1     17  0.53  2.57  
24  21  "HO2'"  18  0.58  2.27  
25  21  "C4'"   17  0.53  2.57  
26  22  OP1     14  0.75  2.03  
27  22  P       18  0.58  2.27  
28  22  P       15  0.51  2.68  
29  23  H8      19  0.56  1.70  
30  23  "H5''"  19  0.56  1.70  
31  23  "H5''"  20  0.44  2.52  
32  23  C2       6  0.52  2.97  
33  23  N2       7  0.48  2.82  
34  23  C8      20  0.44  2.52  
35  24  "H2'"   21  0.41  1.86  
36  25  H6      21  0.41  1.86  
37  28  "H2'"   22  0.58  1.69  
38  28  "H2'"   23  0.55  2.41  
39  29  H6      22  0.58  1.69  
40  29  C6      23  0.55  2.41  
41  46  "H2'"    1  0.49  2.27  
42  46  "O5'"   24  0.41  2.03  
43  46  H8      24  0.41  2.03  
44  49  C2      25  0.41  2.74  
45  52  "H2'"   26  0.51  2.10  
46  53  "O4'"   26  0.51  2.10  
47  57  O2      27  0.47  2.14  
48  57  "H2'"   27  0.47  2.14  
49  58  C2      12  0.57  2.92  
50  58  C2      13  0.50  2.99  
51  60  C5       8  0.49  2.80  
52  60  "O4'"   25  0.41  2.74  
53  60  C4       9  0.41  2.88  
54  62  OP1     10  0.67  2.12  
55  73  "H2'"   28  0.46  2.51  
56  74  C8      28  0.46  2.51  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  1
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       OP3
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       P
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.483
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.607
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.012
_pdbx_vrpt_instance_intra_bond_outliers.Z            -10.32
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
_pdbx_vrpt_instance_intra_angle_outliers.link
 1   1  OP1    P      OP2    105.486  119.600  1.500  -9.41  ?     
 2   5  "O4'"  "C4'"  "C3'"   98.778  104.000  1.000  -5.22  ?     
 3   9  "O5'"  "C5'"  "C4'"  121.233  111.700  1.900   5.02  ?     
 4   9  P      "O5'"  "C5'"  129.895  120.900  1.600   5.62  ?     
 5  13  "O4'"  "C1'"  N1     115.082  108.200  0.800   8.60  ?     
 6  16  P      "O3'"  "C3'"  109.607  119.700  1.200  -8.41  Y     
 7  16  "O4'"  "C1'"  N1     103.581  108.200  0.800  -5.77  ?     
 8  17  N1     "C1'"  "C2'"  105.610  112.000  1.100  -5.81  ?     
 9  17  N3     C2     O2     117.740  121.900  0.700  -5.94  ?     
10  17  "O4'"  "C1'"  N1     113.397  108.200  0.800   6.50  ?     
11  18  N1     "C1'"  "C2'"  120.607  114.000  1.300   5.08  ?     
12  18  N3     C2     O2     118.399  122.200  0.700  -5.43  ?     
13  23  "O4'"  "C1'"  N9     112.865  108.200  0.800   5.83  ?     
14  25  P      "O3'"  "C3'"  111.207  119.700  1.200  -7.08  Y     
15  48  "C4'"  "C3'"  "C2'"   96.985  102.600  1.000  -5.62  ?     
16  48  "O4'"  "C4'"  "C3'"   98.645  104.000  1.000  -5.36  ?     
17  49  N1     "C1'"  "C2'"  120.882  114.000  1.300   5.29  ?     
18  49  N3     C4     C5     119.724  121.900  0.400  -5.44  ?     
19  49  "O4'"  "C1'"  N1     104.033  108.200  0.800  -5.21  ?     
20  50  "C5'"  "C4'"  "O4'"  115.517  109.100  1.200   5.35  ?     
21  54  C5     C6     O6     125.442  128.600  0.600  -5.26  ?     
22  57  "C1'"  "O4'"  "C4'"  105.239  109.900  0.800  -5.83  ?     
23  57  "O4'"  "C4'"  "C3'"   98.198  104.000  1.000  -5.80  ?     
24  59  "O3'"  P      "O5'"   93.993  104.000  1.900  -5.27  Y     
25  61  "O4'"  "C1'"  N1     102.841  108.200  0.800  -6.70  ?     
26  65  "C4'"  "C3'"  "C2'"   97.138  102.600  1.000  -5.46  ?     
27  75  "O4'"  "C1'"  N1     112.587  108.200  0.800   5.48  ?     
28  77  "C1'"  "O4'"  "C4'"  105.163  109.900  0.800  -5.92  ?     
29  77  "O4'"  "C1'"  N9     114.239  108.200  0.800   7.55  ?     
#
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   8  C2  N1  1.43  1.38   963  0.02   3.37  0.01  
 2   8  C2  N3  1.33  1.38  2449  0.02  -2.33  0.00  
 3   8  C4  N3  1.33  1.37    36  0.01  -3.61  0.02  
 4   8  C5  C4  1.39  1.42    53  0.01  -2.72  0.00  
 5   8  C4  S4  1.57  1.68    69  0.02  -5.65  0.06  
 6  21  C2  N3  1.32  1.38  2449  0.02  -2.93  0.00  
 7  21  C4  N3  1.32  1.37   470  0.02  -2.99  0.00  
 8  55  C2  N1  1.42  1.38   963  0.02   2.48  0.00  
 9  55  C6  N1  1.34  1.38   917  0.02  -2.16  0.00  
10  55  C2  N3  1.34  1.38  2449  0.02  -2.03  0.00  
11  55  C4  N3  1.34  1.38  3597  0.02  -2.37  0.00  
12  55  C4  C5  1.38  1.44   632  0.02  -3.55  0.00  
13  55  C6  C5  1.38  1.34   855  0.02   2.63  0.00  
14  56  C4  N3  1.34  1.38  3597  0.02  -2.44  0.00  
15  56  C6  C5  1.39  1.35    48  0.01   3.32  0.01  
#
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   8  "C1'"  N1     C2     121.98  117.57   332  1.81    2.43  0.25  
 2   8  N3     C2     N1     120.18  114.89   961  1.33    3.99  0.02  
 3   8  O2     C2     N3     117.31  121.50  2451  1.86   -2.25  0.02  
 4   8  C4     N3     C2     118.68  127.34    23  0.97   -8.91  6.70  
 5   8  C5     C4     N3     123.45  114.69    34  0.93    9.44  6.04  
 6   8  C5     C4     S4     117.55  124.47    53  1.29   -5.37  4.20  
 7   8  "C2'"  "C1'"  N1     102.53  113.22   639  2.83   -3.77  0.74  
 8   8  "C2'"  "C3'"  "C4'"   95.11  102.64  1041  1.94   -3.87  0.70  
 9   8  "O3'"  "C3'"  "C2'"  103.26  111.82  2473  3.23   -2.65  0.02  
10   8  "O3'"  "C3'"  "C4'"  120.26  111.05  1443  2.89    3.18  0.72  
11  21  "C3'"  "C2'"  "C1'"  105.28  101.43   855  1.90    2.03  0.01  
12  21  C4     N3     C2     115.60  125.79   134  0.83  -12.29  6.59  
13  33  CM2    "O2'"  "C2'"  120.08  114.52  3326  2.62    2.12  0.02  
14  55  "C1'"  N1     C2     121.37  117.57   332  1.81    2.10  0.03  
15  55  N3     C2     N1     119.16  114.89   961  1.33    3.21  0.13  
16  55  C4     N3     C2     121.65  127.35  1185  1.30   -4.41  0.02  
17  55  C5     C4     N3     119.89  115.31   629  0.85    5.37  0.03  
18  55  O4     C4     C5     119.91  124.90   632  1.16   -4.31  0.34  
19  55  C5M    C5     C4     121.47  118.77   632  1.10    2.45  0.09  
20  55  C5M    C5     C6     118.83  122.85   855  1.34   -3.01  0.02  
21  55  C5     C6     N1     119.77  123.34   431  1.03   -3.47  0.05  
22  55  "C2'"  "C1'"  N1     107.33  113.22   639  2.83   -2.08  0.00  
23  56  N1     C2     N3     120.94  115.13   326  1.13    5.12  1.31  
24  56  O2     C2     N1     119.75  122.79   328  1.10   -2.76  0.02  
25  56  C4     N3     C2     121.33  126.34   665  1.44   -3.47  0.08  
26  56  C5     C6     N1     118.99  122.11    23  1.50   -2.08  0.78  
27  56  "O2'"  "C2'"  "C1'"  106.17  111.23   129  2.38   -2.12  0.07  
28  56  "O4'"  "C4'"  "C3'"   99.01  105.11  1233  1.98   -3.08  0.06  
#
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   8  "C2'"  "C1'"  N1     C2       59.82   37.84  482  21.52   0.29  4.56  
2  21  "C4'"  "C5'"  "O5'"  P         5.58  150.67  456  19.04  78.01  0.00  
3  21  "O4'"  "C4'"  "C5'"  "O5'"   102.25   38.30  451  10.67   4.86  0.67  
4  21  "C3'"  "C4'"  "C5'"  "O5'"  -140.92   79.65  451  20.66  17.47  0.00  
5  21  "O4'"  "C1'"  N1     C2      -28.47  111.70  594  26.81  26.71  0.00  
6  21  "O4'"  "C1'"  N1     C6      171.13  117.87   46  20.36  90.40  0.00  
7  21  "C2'"  "C1'"  N1     C2     -146.18   49.92  506  23.54   0.74  4.15  
8  33  "C3'"  "C2'"  "O2'"  CM2    -121.58   37.27  172  12.08   1.37  2.91  
9  56  "O4'"  "C4'"  "C5'"  "O5'"   -39.37   31.28  451  24.07   2.61  2.66  
#
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  21  0.499  0.447   3.124  
 2   2  23  0.810  0.580   5.412  
 3   3  20  0.803  0.365   2.135  
 4   4  23  0.845  0.178   0.001  
 5   5  23  0.909  0.188   0.136  
 6   6  23  0.939  0.170  -0.106  
 7   7  23  0.960  0.183   0.069  
 8   8  20  0.892  0.435       ?  
 9   9  23  0.958  0.218   0.540  
10  10  23  0.878  0.203   0.338  
11  11  22  0.918  0.203   0.129  
12  12  23  0.904  0.238   0.809  
13  13  20  0.922  0.262   0.893  
14  14  22  0.910  0.236   0.536  
15  15  23  0.929  0.246   0.917  
16  16  20  0.945  0.278   1.086  
17  17  20  0.954  0.207   0.229  
18  18  20  0.951  0.195   0.040  
19  19  23  0.921  0.248   0.943  
20  20  23  0.964  0.216   0.513  
21  21  20  0.928  0.286       ?  
22  22  22  0.878  0.263   0.869  
23  23  23  0.883  0.236   0.782  
24  24  20  0.958  0.215   0.326  
25  25  20  0.913  0.203   0.129  
26  26  20  0.922  0.235   0.567  
27  27  23  0.919  0.335   2.114  
28  28  20  0.916  0.299   1.198  
29  29  20  0.921  0.192   0.048  
30  30  23  0.861  0.150  -0.376  
31  31  23  0.846  0.133  -0.604  
32  32  23  0.836  0.180   0.028  
33  33  21  0.848  0.302       ?  
34  34  20  0.854  0.241   0.552  
35  35  20  0.872  0.251   0.760  
36  36  22  0.791  0.269   0.943  
37  37  20  0.766  0.319   1.421  
38  38  22  0.930  0.438   3.027  
39  39  22  0.821  0.339   1.806  
40  40  20  0.800  0.352   1.978  
41  41  20  0.803  0.226   0.458  
42  42  20  0.803  0.175  -0.157  
43  43  23  0.899  0.155  -0.308  
44  44  22  0.811  0.241   0.598  
45  45  22  0.788  0.290   1.202  
46  46  23  0.868  0.232   0.728  
47  47  22  0.875  0.233   0.499  
48  48  20  0.772  0.285   1.042  
49  49  20  0.946  0.290   1.230  
50  50  23  0.937  0.204   0.351  
51  51  20  0.860  0.244   0.586  
52  52  20  0.870  0.276   1.062  
53  53  23  0.916  0.194   0.217  
54  54  23  0.967  0.166  -0.160  
55  55  21  0.898  0.225       ?  
56  56  20  0.912  0.183       ?  
57  57  20  0.973  0.230   0.507  
58  58  22  0.966  0.209   0.203  
59  59  22  0.958  0.171  -0.265  
60  60  22  0.949  0.344   1.868  
61  61  20  0.960  0.289   1.087  
62  62  20  0.951  0.181  -0.084  
63  63  20  0.910  0.206   0.217  
64  64  23  0.906  0.203   0.338  
65  65  23  0.884  0.205   0.365  
66  66  20  0.877  0.170  -0.217  
67  67  20  0.943  0.111  -0.929  
68  68  20  0.951  0.142  -0.555  
69  69  20  0.949  0.150  -0.458  
70  70  20  0.923  0.202   0.169  
71  71  23  0.900  0.181   0.042  
72  72  20  0.848  0.216   0.338  
73  73  22  0.827  0.347   1.905  
74  74  22  0.885  0.317   1.535  
75  75  20  0.787  0.318   1.568  
76  76  20  0.844  0.230   0.507  
77  77  22  0.772  0.382   2.337  
#
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  
##
