data_6CAB

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6CAB
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6CAB
_pdbx_vrpt_summary.PDB_deposition_date         2018-01-29
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-10-04
_pdbx_vrpt_summary.RNA_suiteness               0.64
_pdbx_vrpt_summary.report_creation_date        2023-09-26:16:46
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3')"  
2  non-polymer  "GUANOSINE-5'-MONOPHOSPHATE"  
3  non-polymer  "STRONTIUM ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  2  
D  2  
E  3  
F  3  
G  2  
H  2  
I  3  
J  3  
K  4  
L  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.5  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   67.85  141614     ?     ?  
2  2  1   82.88    5346  2.50  2.50  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    4559  2.50  2.50  
5  1  3   12.99  130704     ?     ?  
6  2  3   20.39    4661  2.50  2.50  
7  1  4   72.11    3102     ?     ?  
8  2  4   68.95    1008  2.16  2.84  
#
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  
#
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  0.87  0.61  236  365  
2  1  1  B  B  0.90  0.67  236  365  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       3.77
_pdbx_vrpt_summary_geometry.num_H_reduce     362
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   472
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.64
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  730
_pdbx_vrpt_summary_geometry.angles_RMSZ      0.88
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 106.110
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            45.655
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         77.106
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.42(2.50A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3905
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.340
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.277
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.523
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.361
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.958
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.477
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.28
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               24.35
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[77.350,77.350,76.600,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.010
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 12.62% 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         94.00
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      176
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.51
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_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_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  LCC  A    1  .  ?        ?     1     9     9     3  
 2  1  1  A   2  LCC  A    2  .  ?        ?     1     7     7     3  
 3  1  1  A   3  LCC  A    3  .  ?        ?     2     8     6     1  
 4  1  1  A   4  LCG  A    4  .  ?        ?     ?     7    10     1  
 5  1  1  A   5  A    A    5  .  ?        ?     ?     ?     ?     ?  
 6  1  1  A   6  C    A    6  .  ?        ?     ?     ?     ?     ?  
 7  1  1  A   7  U    A    7  .  ?        ?     ?     ?     ?     ?  
 8  1  1  A   8  U    A    8  .  ?        ?     ?     ?     ?     ?  
 9  1  1  A   9  A    A    9  .  ?        ?     ?     ?     ?     ?  
10  1  1  A  10  A    A   10  .  ?        ?     1     ?     ?     ?  
11  1  1  A  11  G    A   11  .  ?        ?     1     ?     ?     ?  
12  1  1  A  12  U    A   12  .  ?        ?     ?     ?     ?     ?  
13  1  1  A  13  C    A   13  .  ?        ?     ?     ?     ?     ?  
14  1  1  A  14  G    A   14  .  ?        ?     ?     ?     ?     ?  
15  1  1  B   1  LCC  B    1  .  ?        ?     ?     9     9     ?  
16  1  1  B   2  LCC  B    2  .  ?        ?     ?     6     9     ?  
17  1  1  B   3  LCC  B    3  .  ?        ?     ?     7     6     ?  
18  1  1  B   4  LCG  B    4  .  ?        ?     ?     6    10     3  
19  1  1  B   5  A    B    5  .  ?        ?     ?     ?     ?     ?  
20  1  1  B   6  C    B    6  .  ?        ?     ?     ?     ?     ?  
21  1  1  B   7  U    B    7  .  ?        ?     ?     ?     ?     ?  
22  1  1  B   8  U    B    8  .  ?        ?     ?     ?     ?     ?  
23  1  1  B   9  A    B    9  .  ?        ?     ?     ?     ?     ?  
24  1  1  B  10  A    B   10  .  ?        ?     1     ?     ?     ?  
25  1  1  B  11  G    B   11  .  ?        ?     1     ?     ?     ?  
26  1  1  B  12  U    B   12  .  ?        ?     ?     ?     ?     ?  
27  1  1  B  13  C    B   13  .  ?        ?     ?     ?     ?     ?  
28  1  1  B  14  G    B   14  .  ?        ?     ?     ?     ?     ?  
29  1  2  C   .  G    A  101  .  ?        2     ?     4     5     1  
30  1  2  D   .  G    A  102  .  ?        4     ?     3     2     5  
31  1  3  E   .  SR   A  103  .  ?        ?     ?     ?     ?     ?  
32  1  3  F   .  SR   A  104  .  ?        ?     ?     ?     ?     ?  
33  1  2  G   .  G    B  101  .  ?        1     ?     2     3     5  
34  1  2  H   .  G    B  102  .  ?        3     ?     2     3     2  
35  1  3  I   .  SR   B  103  .  ?        ?     ?     ?     ?     ?  
36  1  3  J   .  SR   B  104  .  ?        ?     ?     ?     ?     ?  
37  1  4  K   .  HOH  A  201  .  ?        ?     ?     ?     ?     ?  
38  1  4  K   .  HOH  A  202  .  ?        ?     ?     ?     ?     ?  
39  1  4  K   .  HOH  A  203  .  ?        ?     ?     ?     ?     ?  
40  1  4  L   .  HOH  B  201  .  ?        ?     ?     ?     ?     ?  
41  1  4  L   .  HOH  B  202  .  ?        ?     ?     ?     ?     ?  
42  1  4  L   .  HOH  B  203  .  ?        ?     ?     ?     ?     ?  
43  1  4  L   .  HOH  B  204  .  ?        ?     ?     ?     ?     ?  
44  1  4  L   .  HOH  B  205  .  ?        ?     ?     ?     ?     ?  
#
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     ?  ?                  ?          13   80.460    20  3.14    30  1.88  mogul       1.000  
 2   2     ?  ?                  ?          13   72.700    20  2.40    28  1.87  mogul       1.000  
 3   3     ?  ?                  outlier    13   66.300    20  2.45    28  1.78  mogul       1.000  
 4   4     ?  ?                  ?          11   69.070    19  3.77    22  2.00  mogul       1.000  
 5   5  0.00  NotAvailable       ?          11   65.720    25  0.32    39  0.96  molprobity  1.000  
 6   6  0.74  Rotameric          ?          11   66.490    22  0.56    34  0.73  molprobity  1.000  
 7   7  0.80  Rotameric          ?          10   85.580    22  0.31    34  0.73  molprobity  1.000  
 8   8  0.62  Rotameric          ?          10   94.710    22  0.34    34  0.77  molprobity  1.000  
 9   9  0.79  Rotameric          ?          11   95.730    25  0.33    39  0.57  molprobity  1.000  
10  10  0.55  Rotameric          ?          11  113.300    25  0.41    39  0.93  molprobity  1.000  
11  11  0.00  Triaged/NotBinned  ?          11   99.600    26  1.09    41  0.86  molprobity  1.000  
12  12  0.53  Rotameric          ?          10   89.120    22  0.96    34  1.14  molprobity  1.000  
13  13  0.72  Rotameric          ?          11   74.700    22  0.42    34  1.12  molprobity  1.000  
14  14  0.00  Triaged/NotBinned  ?          12   68.800    25  0.67    37  0.73  molprobity  1.000  
15  15     ?  ?                  ?          13   75.400    20  2.18    30  2.17  mogul       1.000  
16  16     ?  ?                  ?          13   74.380    20  2.45    28  1.84  mogul       1.000  
17  17     ?  ?                  outlier    13   70.680    20  2.36    28  1.55  mogul       1.000  
18  18     ?  ?                  ?          11   69.620    19  3.30    22  2.01  mogul       1.000  
19  19  0.00  NotAvailable       ?          11   62.300    25  0.43    39  1.04  molprobity  1.000  
20  20  0.80  Rotameric          ?          11   69.290    22  0.39    34  0.82  molprobity  1.000  
21  21  0.95  Rotameric          ?          10   80.820    22  0.38    34  0.76  molprobity  1.000  
22  22  0.65  Rotameric          ?          10   94.740    22  0.32    34  0.69  molprobity  1.000  
23  23  0.80  Rotameric          ?          11   99.680    25  0.48    39  0.66  molprobity  1.000  
24  24  0.87  Rotameric          ?          11  103.350    25  0.95    39  0.86  molprobity  1.000  
25  25  0.44  Rotameric          ?          11   91.770    26  1.06    41  0.92  molprobity  1.000  
26  26  0.01  Rotameric          ?          10   91.300    22  0.90    34  1.24  molprobity  1.000  
27  27  0.94  Rotameric          ?          11   74.510    22  0.48    34  1.17  molprobity  1.000  
28  28  0.00  NonRotameric       ?          12   65.820    25  0.69    37  0.65  molprobity  1.000  
29  29  0.00  NotAvailable       ?          11   73.380    22  1.43    26  1.48  mogul       1.000  
30  30  0.00  NotAvailable       ?          12   96.960    22  1.24    26  1.19  mogul       1.000  
31  31     ?  ?                  ?           ?   77.010     ?     ?     ?     ?  ?           1.000  
32  32     ?  ?                  ?           ?   83.520     ?     ?     ?     ?  ?           0.180  
33  33  0.00  NotAvailable       ?          12   97.130    22  1.23    26  1.39  mogul       1.000  
34  34  0.00  NotAvailable       ?          11   76.410    22  1.22    26  1.16  mogul       1.000  
35  35     ?  ?                  ?           ?   76.980     ?     ?     ?     ?  ?           1.000  
36  36     ?  ?                  ?           ?  112.530     ?     ?     ?     ?  ?           0.160  
37  37     ?  ?                  ?           ?   64.420     ?     ?     ?     ?  ?           1.000  
38  38     ?  ?                  ?           ?   54.880     ?     ?     ?     ?  ?           1.000  
39  39     ?  ?                  ?           ?   61.110     ?     ?     ?     ?  ?           1.000  
40  40     ?  ?                  ?           ?   63.490     ?     ?     ?     ?  ?           1.000  
41  41     ?  ?                  ?           ?   55.440     ?     ?     ?     ?  ?           1.000  
42  42     ?  ?                  ?           ?   38.290     ?     ?     ?     ?  ?           0.220  
43  43     ?  ?                  ?           ?   63.630     ?     ?     ?     ?  ?           1.000  
44  44     ?  ?                  ?           ?   76.000     ?     ?     ?     ?  ?           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   1  C4      1  0.40  2.51  
2   2  H5M3    1  0.40  2.51  
3   3  H41     2  0.40  1.74  
4   3  H5M1    2  0.40  1.74  
5  10  "H2'"   3  0.40  2.21  
6  11  "O4'"   3  0.40  2.21  
7  24  "H2'"   4  0.50  2.11  
8  25  "O4'"   4  0.50  2.11  
#
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
 1  29  "C5'"  "C4'"  "O4'"  122.499  109.100  1.200  11.17  
 2  29  "O4'"  "C1'"  N9     114.264  108.200  0.800   7.58  
 3  30  C4     N9     "C1'"  117.395  126.500  1.300  -7.00  
 4  30  C8     N9     "C1'"  136.261  127.000  1.300   7.12  
 5  30  "O4'"  "C1'"  N9     116.858  108.200  0.800  10.82  
 6  30  "O5'"  P      OP2    100.532  105.700  0.900  -5.74  
 7  33  "O5'"  P      OP1    100.885  105.700  0.900  -5.35  
 8  34  "C3'"  "C2'"  "C1'"  105.694  101.500  0.800   5.24  
 9  34  "C5'"  "C4'"  "C3'"  106.606  116.000  1.600  -5.87  
10  34  "O4'"  "C1'"  N9     114.808  108.200  0.800   8.26  
#
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   1  "C4'"  "C3'"  1.49  1.53    46  0.01  -3.58  0.02  
 2   1  "O4'"  "C1'"  1.47  1.42    97  0.01   2.98  0.01  
 3   1  C6     N1     1.43  1.38   917  0.02   2.88  0.00  
 4   1  C6     C5     1.39  1.34   855  0.02   2.67  0.00  
 5   1  C5M    C5     1.40  1.50  6628  0.02  -3.99  0.00  
 6   1  "C2'"  "C3'"  1.43  1.53    87  0.02  -4.43  0.06  
 7   1  "O3'"  "C3'"  1.25  1.42  2896  0.02  -8.88  0.01  
 8   1  "O2'"  "C2'"  1.49  1.43   476  0.02   2.72  0.01  
 9   1  "O2'"  "C6'"  1.53  1.43   628  0.02   4.97  0.00  
10   2  "O5'"  "C5'"  1.35  1.44    26  0.02  -3.75  0.03  
11   2  "C4'"  "C3'"  1.51  1.53    46  0.01  -2.22  0.00  
12   2  C5M    C5     1.41  1.50  6628  0.02  -3.65  0.00  
13   2  "C2'"  "C3'"  1.42  1.53    87  0.02  -4.79  0.07  
14   2  "O3'"  "C3'"  1.37  1.42  2896  0.02  -2.51  0.00  
15   2  "O2'"  "C2'"  1.49  1.43   476  0.02   2.60  0.01  
16   2  "O2'"  "C6'"  1.52  1.43   628  0.02   4.69  0.00  
17   3  "C4'"  "C3'"  1.49  1.53    46  0.01  -3.81  0.02  
18   3  C6     N1     1.42  1.38   917  0.02   2.36  0.00  
19   3  C6     C5     1.39  1.34   855  0.02   3.10  0.00  
20   3  C5M    C5     1.39  1.50  6628  0.02  -4.65  0.00  
21   3  "C2'"  "C3'"  1.42  1.53    87  0.02  -4.50  0.06  
22   3  "O3'"  "C3'"  1.49  1.42  2896  0.02   3.20  0.00  
23   3  "O2'"  "C2'"  1.49  1.43   476  0.02   2.43  0.01  
24   3  "O2'"  "C6'"  1.50  1.43   628  0.02   3.67  0.00  
25   4  "C5'"  "C4'"  1.56  1.51    71  0.02   2.97  0.00  
26   4  "C4'"  "C3'"  1.41  1.53    46  0.01  -9.96  0.10  
27   4  "C6'"  "C4'"  1.61  1.53    74  0.02   4.48  0.03  
28   4  "O2'"  "C6'"  1.57  1.43   628  0.02   7.35  0.03  
29   4  C5     C4     1.34  1.43    44  0.03  -3.41  0.01  
30   4  C5     C6     1.31  1.47    49  0.02  -7.70  0.09  
31   4  "O4'"  "C4'"  1.42  1.45   165  0.01  -2.35  0.00  
32  15  "C4'"  "C3'"  1.47  1.53    46  0.01  -5.22  0.04  
33  15  "C6'"  "C4'"  1.58  1.53    74  0.02   3.10  0.01  
34  15  "O4'"  "C1'"  1.45  1.42    97  0.01   2.02  0.00  
35  15  "C2'"  "C1'"  1.47  1.53   534  0.03  -2.17  0.00  
36  15  C6     N1     1.42  1.38   917  0.02   2.56  0.00  
37  15  C6     C5     1.38  1.34   855  0.02   2.35  0.00  
38  15  C5M    C5     1.40  1.50  6628  0.02  -3.94  0.00  
39  15  "O3'"  "C3'"  1.38  1.42  2896  0.02  -2.28  0.00  
40  15  "O2'"  "C6'"  1.47  1.43   628  0.02   2.06  0.00  
41  16  "O4'"  "C4'"  1.40  1.45   165  0.01  -3.68  0.01  
42  16  "C4'"  "C3'"  1.45  1.53    46  0.01  -6.75  0.06  
43  16  C5M    C5     1.41  1.50  6628  0.02  -3.80  0.00  
44  16  "C2'"  "C3'"  1.44  1.53    87  0.02  -4.04  0.05  
45  16  "O2'"  "C2'"  1.48  1.43   476  0.02   2.11  0.00  
46  16  "O2'"  "C6'"  1.49  1.43   628  0.02   2.94  0.00  
47  17  "C4'"  "C3'"  1.45  1.53    46  0.01  -7.02  0.06  
48  17  "C2'"  "C1'"  1.47  1.53   534  0.03  -2.34  0.00  
49  17  C2     N1     1.34  1.40   396  0.02  -2.38  0.00  
50  17  C6     C5     1.38  1.34   855  0.02   2.58  0.00  
51  17  C5M    C5     1.40  1.50  6628  0.02  -4.32  0.00  
52  17  "C2'"  "C3'"  1.46  1.53    87  0.02  -2.88  0.02  
53  17  "O2'"  "C6'"  1.48  1.43   628  0.02   2.66  0.00  
54  18  "O5'"  "C5'"  1.38  1.44    26  0.02  -2.66  0.00  
55  18  "C4'"  "C3'"  1.43  1.53    46  0.01  -8.71  0.08  
56  18  "C6'"  "C4'"  1.61  1.53    74  0.02   4.42  0.03  
57  18  "O2'"  "C6'"  1.53  1.43   628  0.02   5.27  0.01  
58  18  C5     C4     1.34  1.43    44  0.03  -3.26  0.01  
59  18  C5     C6     1.32  1.47    49  0.02  -7.32  0.08  
60  29  "O4'"  "C1'"  1.43  1.41    20  0.01   2.05  0.00  
61  29  "C2'"  "C1'"  1.48  1.53    22  0.02  -3.31  0.02  
62  29  C8     N7     1.30  1.35    60  0.02  -2.43  0.01  
63  29  C5     C6     1.42  1.47    49  0.02  -2.30  0.00  
64  30  "O4'"  "C1'"  1.44  1.41    20  0.01   2.53  0.01  
65  30  C8     N7     1.31  1.35    60  0.02  -2.38  0.01  
66  30  C5     C6     1.42  1.47    49  0.02  -2.26  0.00  
67  33  C8     N7     1.30  1.35    60  0.02  -2.44  0.01  
68  33  C5     C6     1.42  1.47    49  0.02  -2.31  0.00  
69  34  C8     N7     1.30  1.35    60  0.02  -2.41  0.01  
70  34  C5     C6     1.42  1.47    49  0.02  -2.28  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   1  "O5'"  "C5'"  "C4'"  106.28  111.71    93  2.02  -2.69   0.01  
 2   1  "O4'"  "C4'"  "C5'"  115.19  108.97    46  1.81   3.43   2.68  
 3   1  "C5'"  "C4'"  "C3'"  110.23  117.07    35  2.58  -2.65   1.58  
 4   1  "C4'"  "O4'"  "C1'"  103.88  107.58    44  1.75  -2.12   0.27  
 5   1  "C2'"  "C1'"  N1     118.78  114.22   296  1.94   2.35   0.10  
 6   1  C5     C6     N1     119.18  123.34   431  1.03  -4.04   0.14  
 7   1  O2     C2     N3     117.62  122.33   702  1.63  -2.90   0.04  
 8   1  "O3'"  "C3'"  "C4'"  122.19  112.52    46  2.67   3.62   5.40  
 9   1  "O2'"  "C6'"  "C4'"   97.12  103.78    35  1.94  -3.44   3.94  
10   2  "O4'"  "C4'"  "C5'"  122.23  108.82    30  2.97   4.52  10.12  
11   2  "C4'"  "O4'"  "C1'"  103.94  107.58    44  1.75  -2.08   0.20  
12   2  C5     C6     N1     118.87  123.34   431  1.03  -4.34   0.02  
13   2  C5M    C5     C6     118.43  122.85   855  1.34  -3.31   0.01  
14   2  O2     C2     N1     123.99  118.89   396  2.06   2.47   0.09  
15   2  O2     C2     N3     116.92  122.33   702  1.63  -3.33   0.20  
16   2  "O2'"  "C6'"  "C4'"   98.16  103.78    35  1.94  -2.90   2.89  
17   3  "O4'"  "C4'"  "C5'"  120.99  108.82    30  2.97   4.11   8.88  
18   3  "C4'"  "O4'"  "C1'"  101.81  107.58    44  1.75  -3.31   2.34  
19   3  C5     C6     N1     118.47  123.34   431  1.03  -4.73   0.23  
20   3  C5M    C5     C6     120.05  122.85   855  1.34  -2.09   0.01  
21   3  O2     C2     N3     116.97  122.33   702  1.63  -3.30   0.14  
22   3  "O2'"  "C6'"  "C4'"   98.69  103.78    35  1.94  -2.62   2.36  
23   4  "O3'"  "C3'"  "C4'"  105.04  112.52    46  2.67  -2.80   0.75  
24   4  O6     C6     C5     119.21  124.37    49  1.95  -2.64   1.00  
25   4  C5     C6     N1     119.78  113.95    45  1.77   3.30   1.64  
26   4  "O4'"  "C4'"  "C5'"  115.59  108.82    30  2.97   2.28   3.48  
27   4  "O4'"  "C4'"  "C3'"  105.88  102.22    41  1.32   2.76   0.01  
28   4  N2     C2     N1     121.29  116.71  1007  2.13   2.15   0.06  
29   4  N1     C2     N3     117.68  123.32   983  1.87  -3.02   0.04  
30   4  C2     N1     C6     120.43  125.10   790  1.84  -2.54   0.00  
31   4  "C4'"  "O4'"  "C1'"  102.66  107.58    44  1.75  -2.82   1.49  
32   4  "C6'"  "O2'"  "C2'"  103.15  107.65    89  1.83  -2.46   0.97  
33  15  "O5'"  "C5'"  "C4'"  106.76  111.71    93  2.02  -2.45   0.15  
34  15  "O4'"  "C4'"  "C5'"  119.67  108.97    46  1.81   5.91   7.16  
35  15  "O4'"  "C4'"  "C3'"   99.35  102.22    41  1.32  -2.16   0.57  
36  15  "O4'"  "C1'"  N1     111.82  108.77    74  1.29   2.37   0.12  
37  15  C5     C6     N1     119.77  123.34   431  1.03  -3.47   0.05  
38  15  C5M    C5     C6     118.55  122.85   855  1.34  -3.22   0.02  
39  15  O2     C2     N3     118.57  122.33   702  1.63  -2.31   0.08  
40  15  "O3'"  "C3'"  "C4'"  119.08  112.52    46  2.67   2.46   2.30  
41  15  "O3'"  "C3'"  "C2'"   93.81  112.57    87  3.17  -5.92   2.71  
42  16  "O4'"  "C4'"  "C6'"  111.34  105.97    24  2.11   2.54   3.12  
43  16  "C4'"  "O4'"  "C1'"  103.71  107.58    44  1.75  -2.21   0.43  
44  16  C5     C6     N1     117.92  123.34   431  1.03  -5.26   0.22  
45  16  C5M    C5     C6     120.10  122.85   855  1.34  -2.06   0.00  
46  16  C5     C4     N4     117.43  121.48    27  1.50  -2.71   2.24  
47  16  O2     C2     N1     123.22  118.89   396  2.06   2.10   0.07  
48  16  O2     C2     N3     117.89  122.33   702  1.63  -2.73   0.32  
49  16  "O3'"  "C3'"  "C4'"  119.22  112.52    46  2.67   2.51   2.44  
50  16  "O2'"  "C6'"  "C4'"   97.43  103.78    35  1.94  -3.28   3.63  
51  17  "O4'"  "C4'"  "C5'"  117.91  108.82    30  2.97   3.06   5.79  
52  17  "C4'"  "O4'"  "C1'"  102.72  107.58    44  1.75  -2.78   1.43  
53  17  C5     C6     N1     120.02  123.34   431  1.03  -3.23   0.04  
54  17  C5M    C5     C6     118.81  122.85   855  1.34  -3.02   0.00  
55  17  O2     C2     N3     117.56  122.33   702  1.63  -2.93   0.01  
56  17  "O2'"  "C6'"  "C4'"   98.44  103.78    35  1.94  -2.76   2.62  
57  18  "O3'"  "C3'"  "C4'"  102.01  112.52    46  2.67  -3.93   3.79  
58  18  C5     C6     N1     118.47  113.95    45  1.77   2.56   1.62  
59  18  "O2'"  "C2'"  "C1'"  114.16  105.66    26  3.05   2.79   4.73  
60  18  "O4'"  "C4'"  "C5'"  115.07  108.82    30  2.97   2.11   2.96  
61  18  "O4'"  "C4'"  "C3'"  105.40  102.22    41  1.32   2.40   0.43  
62  18  N2     C2     N1     122.09  116.71  1007  2.13   2.53   0.06  
63  18  N1     C2     N3     118.83  123.32   983  1.87  -2.40   0.12  
64  18  C2     N1     C6     120.20  125.10   790  1.84  -2.66   0.05  
65  18  "C4'"  "O4'"  "C1'"  102.74  107.58    44  1.75  -2.77   1.41  
66  18  "C6'"  "O2'"  "C2'"  102.52  107.65    89  1.83  -2.80   1.59  
67  29  OP3    P      "O5'"  101.02  106.73    52  2.66  -2.15   0.33  
68  29  P      "O5'"  "C5'"  124.16  118.30    21  2.75   2.13   1.65  
69  29  "O4'"  "C4'"  "C5'"  122.50  109.37   954  3.29   3.99   0.25  
70  29  "O4'"  "C4'"  "C3'"   99.35  105.11  1233  1.98  -2.91   0.01  
71  29  O6     C6     C5     128.50  124.37    49  1.95   2.12   1.21  
72  30  OP2    P      "O5'"  100.53  106.73    52  2.66  -2.33   0.14  
73  30  O6     C6     C5     128.45  124.37    49  1.95   2.09   1.16  
74  33  P      "O5'"  "C5'"  128.11  118.30    21  2.75   3.56   5.60  
75  33  "C3'"  "C2'"  "C1'"  105.43  100.98    21  1.51   2.96   2.14  
76  33  O6     C6     C5     128.52  124.37    49  1.95   2.12   1.23  
77  34  "C5'"  "C4'"  "C3'"  106.61  115.18   341  3.75  -2.29   0.19  
78  34  "C3'"  "C2'"  "C1'"  105.69  100.98    21  1.51   3.13   2.40  
79  34  O6     C6     C5     128.49  124.37    49  1.95   2.11   1.20  
#
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   1  "O4'"  "C4'"  "C5'"  "O5'"    26.68  42.68   78  28.04  20.82  0.00  
 2   1  "C3'"  "C4'"  "C5'"  "O5'"   140.83  68.13   53  27.90   4.65  1.89  
 3   1  "C6'"  "C4'"  "C5'"  "O5'"  -101.18  63.58   42  12.87  28.93  0.00  
 4   2  "O4'"  "C4'"  "C5'"  "O5'"    -6.67  79.69   44  47.51  42.84  0.00  
 5   2  "C3'"  "C4'"  "C5'"  "O5'"   110.82  56.17   44   9.86  31.53  0.00  
 6   2  "C6'"  "C4'"  "C5'"  "O5'"  -135.57  63.14   41  19.02  20.56  0.00  
 7   3  "O4'"  "C4'"  "C5'"  "O5'"   -38.91  47.46   44  47.51  10.61  0.00  
 8   4  "O4'"  "C4'"  "C5'"  "O5'"   -41.12  45.25   44  47.51   8.40  2.27  
 9  18  "C3'"  "C4'"  "C5'"  "O5'"    26.80  69.79   44  55.22   8.13  2.27  
10  18  "C6'"  "C4'"  "C5'"  "O5'"   139.56  64.59   41  22.60  16.58  0.00  
11  18  "O4'"  "C4'"  "C5'"  "O5'"   -93.29  43.16   44  21.04  10.89  0.00  
12  29  "O4'"  "C4'"  "C5'"  "O5'"   -38.49  32.16  451  24.08   3.44  2.22  
13  30  "C5'"  "O5'"  P      OP3    -135.41  67.64   50  17.23  30.46  0.00  
14  30  "C5'"  "O5'"  P      OP1     -15.61  88.00   72  59.98  15.87  0.00  
15  30  "C5'"  "O5'"  P      OP2     106.45  50.27   50  11.72  28.10  0.00  
16  30  "O4'"  "C4'"  "C5'"  "O5'"  -102.04  38.11  451  10.72   5.07  0.67  
17  30  "C3'"  "C4'"  "C5'"  "O5'"    16.42  53.25  451  40.98   3.27  0.44  
18  33  "C5'"  "O5'"  P      OP3     -25.14  57.66   50  45.88  11.99  0.00  
19  33  "C5'"  "O5'"  P      OP1      93.31  57.31   72  20.48   7.41  1.39  
20  33  "C5'"  "O5'"  P      OP2    -145.32  73.59   50  24.46  20.54  0.00  
21  33  "O4'"  "C4'"  "C5'"  "O5'"   -38.54  32.11  451  24.08   3.44  2.22  
22  33  "C3'"  "C4'"  "C5'"  "O5'"    80.31  35.03  451  23.94   1.64  3.99  
23  34  "C5'"  "O5'"  P      OP3      87.47  38.88   50  24.80   9.12  4.00  
24  34  "C5'"  "O5'"  P      OP2     -31.48  51.32   50  45.88   5.65  4.00  
#
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  19  0.937  0.161       ?  
 2   2  22  0.968  0.116       ?  
 3   3  22  0.955  0.149       ?  
 4   4  24  0.964  0.131       ?  
 5   5  22  0.976  0.116  -1.084  
 6   6  20  0.982  0.119  -0.994  
 7   7  20  0.965  0.109  -1.055  
 8   8  20  0.962  0.112  -1.005  
 9   9  22  0.959  0.117  -1.065  
10  10  22  0.934  0.123  -0.950  
11  11  23  0.929  0.103  -1.372  
12  12  20  0.948  0.128  -0.738  
13  13  20  0.947  0.126  -0.864  
14  14  23  0.960  0.132  -0.779  
15  15  19  0.972  0.137       ?  
16  16  22  0.961  0.138       ?  
17  17  22  0.962  0.170       ?  
18  18  24  0.946  0.158       ?  
19  19  22  0.985  0.105  -1.293  
20  20  20  0.969  0.131  -0.771  
21  21  20  0.976  0.109  -1.055  
22  22  20  0.964  0.092  -1.338  
23  23  22  0.938  0.118  -1.046  
24  24  22  0.950  0.109  -1.217  
25  25  23  0.912  0.107  -1.290  
26  26  20  0.934  0.134  -0.638  
27  27  20  0.947  0.113  -1.106  
28  28  23  0.956  0.121  -1.004  
29  29  24  0.915  0.121       ?  
30  30  24  0.921  0.189       ?  
31  31   1  0.990  0.158       ?  
32  32   1  0.921  0.054       ?  
33  33  24  0.938  0.183       ?  
34  34  24  0.916  0.112       ?  
35  35   1  0.988  0.156       ?  
36  36   1  0.983  0.184       ?  
37  37   1  0.637  0.361       ?  
38  38   1  0.963  0.164       ?  
39  39   1  0.962  0.079       ?  
40  40   1  0.814  0.188       ?  
41  41   1  0.853  0.379       ?  
42  42   1  0.933  0.616       ?  
43  43   1  0.839  0.124       ?  
44  44   1  0.910  0.504       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
