data_8TC2

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8TC2
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8TC2
_pdbx_vrpt_summary.PDB_deposition_date         2023-06-29
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-12-20
_pdbx_vrpt_summary.report_creation_date        2023-12-11:15:27
_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      "DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3')"  
2  polymer      "DNA (5'-D(P*TP*CP*GP*TP*C)-3')"  
3  polymer      "DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*G)-3')"  
4  polymer      "DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3')"  
5  non-polymer  NETROPSIN  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  3.05  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   13.72  141614     ?     ?  
2  2  1   37.93    1864  3.02  3.10  
3  1  2  100.00  127900     ?     ?  
4  2  2  100.00    1713  3.02  3.10  
5  1  3   68.17  130704     ?     ?  
6  2  3   95.28    1754  3.02  3.10  
#
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  2  B  100.00  
4  4  2  B  1  2  B  100.00  
5  3  2  C  1  3  C  100.00  
6  4  2  C  1  3  C  100.00  
7  3  2  D  1  4  D  100.00  
8  4  2  D  1  4  D  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  1.08  0.89  484  745  
2  1  2  B  B  1.45  0.91  110  167  
3  1  3  C  C  1.24  0.83  178  273  
4  1  4  D  D  1.41  0.91  184  282  
#
_pdbx_vrpt_summary_geometry.ordinal          1
_pdbx_vrpt_summary_geometry.clashscore       15.84
_pdbx_vrpt_summary_geometry.num_H_reduce     503
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ   956
_pdbx_vrpt_summary_geometry.bonds_RMSZ       0.89
_pdbx_vrpt_summary_geometry.num_angles_RMSZ  1467
_pdbx_vrpt_summary_geometry.angles_RMSZ      1.23
#
_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            67.222
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         107.804
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.16(3.06A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5805
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.191
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.142
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.484
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.315
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.974
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.028;h,-h-k,-l:0.067;-k,-h,-l:0.053
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.22
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.05
_pdbx_vrpt_summary_diffraction.EDS_res_low               42.22
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[102.122,102.122,128.908,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.241
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.54% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         96.48
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      270
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.65
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.05
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        59.54
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.21
#
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_symm_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    0  .  ?        ?     ?     ?     ?     ?     ?     ?  
 2  1  1  A   2  DA  A    1  .  ?        ?     ?     2     ?     ?     ?     ?  
 3  1  1  A   3  DG  A    2  .  ?        ?     ?     ?     ?     ?     ?     ?  
 4  1  1  A   4  DC  A    3  .  ?        ?     ?     ?     ?     ?     ?     ?  
 5  1  1  A   5  DA  A    4  .  ?        ?     ?     ?     ?     ?     ?     ?  
 6  1  1  A   6  DG  A    5  .  ?        ?     ?     ?     ?     ?     ?     ?  
 7  1  1  A   7  DA  A    6  .  ?        ?     ?     1     ?     ?     ?     ?  
 8  1  1  A   8  DC  A    7  .  ?        ?     ?     1     ?     ?     ?     ?  
 9  1  1  A   9  DC  A    8  .  ?        ?     ?     ?     ?     ?     ?     ?  
10  1  1  A  10  DT  A    9  .  ?        ?     1     ?     ?     ?     ?     ?  
11  1  1  A  11  DG  A   10  .  ?        ?     ?     1     ?     ?     ?     ?  
12  1  1  A  12  DA  A   11  .  ?        1     ?     2     ?     ?     ?     ?  
13  1  1  A  13  DC  A   12  .  ?        ?     ?     1     ?     ?     ?     ?  
14  1  1  A  14  DG  A   13  .  ?        ?     1     ?     ?     ?     ?     ?  
15  1  1  A  15  DA  A   14  .  ?        ?     ?     ?     ?     ?     ?     ?  
16  1  1  A  16  DC  A   15  .  ?        ?     ?     ?     ?     ?     ?     ?  
17  1  1  A  17  DA  A   16  .  ?        ?     ?     ?     ?     ?     ?     ?  
18  1  1  A  18  DA  A   17  .  ?        ?     ?    10     ?     ?     ?     ?  
19  1  1  A  19  DT  A   18  .  ?        1     ?     5     ?     ?     ?     ?  
20  1  1  A  20  DT  A   19  .  ?        ?     ?     1     ?     ?     ?     ?  
21  1  1  A  21  DA  A   20  .  ?        ?     ?     2     ?     ?     ?     ?  
22  1  2  B   1  DT  B    1  .  ?        ?     ?     1     ?     ?     ?     ?  
23  1  2  B   2  DC  B    2  .  ?        ?     ?     2     ?     ?     ?     ?  
24  1  2  B   3  DG  B    3  .  ?        ?     ?     1     ?     ?     ?     ?  
25  1  2  B   4  DT  B    4  .  ?        1     ?     ?     ?     ?     ?     ?  
26  1  2  B   5  DC  B    5  .  ?        ?     1     ?     ?     ?     ?     ?  
27  1  3  C   1  DT  C    2  .  ?        ?     ?     ?     ?     ?     ?     ?  
28  1  3  C   2  DC  C    3  .  ?        ?     ?     ?     ?     ?     ?     ?  
29  1  3  C   3  DT  C    4  .  ?        ?     ?     ?     ?     ?     ?     ?  
30  1  3  C   4  DA  C    5  .  ?        ?     ?     ?     ?     ?     ?     ?  
31  1  3  C   5  DA  C    6  .  ?        ?     ?     ?     ?     ?     ?     ?  
32  1  3  C   6  DT  C    7  .  ?        ?     1     1     ?     ?     ?     ?  
33  1  3  C   7  DT  C    8  .  ?        ?     1     ?     ?     ?     ?     ?  
34  1  3  C   8  DG  C    9  .  ?        ?     1     ?     1     ?     ?     ?  
35  1  4  D   1  DA  D   10  .  ?        ?     2     ?     1     ?     ?     ?  
36  1  4  D   2  DG  D   11  .  ?        ?     2     2     ?     ?     ?     ?  
37  1  4  D   3  DG  D   12  .  ?        ?     ?     2     ?     ?     ?     ?  
38  1  4  D   4  DT  D   13  .  ?        ?     ?     ?     ?     ?     ?     ?  
39  1  4  D   5  DC  D   14  .  ?        ?     ?     ?     ?     ?     ?     ?  
40  1  4  D   6  DT  D   15  .  ?        ?     ?     1     ?     ?     ?     ?  
41  1  4  D   7  DG  D   16  .  ?        ?     ?     2     ?     ?     ?     ?  
42  1  4  D   8  DC  D   17  .  ?        ?     ?     1     ?     ?     ?     ?  
43  1  5  E   .  NT  C  101  .  ?        ?     ?     5     ?     3    15     3  
#
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  149.460  22  1.01  35  0.91  molprobity  1.000  
 2   2  11  147.280  24  0.48  37  0.84  molprobity  1.000  
 3   3  11  150.200  25  0.44  39  0.84  molprobity  1.000  
 4   4  11  150.630  21  0.85  32  0.88  molprobity  1.000  
 5   5  11  146.670  24  0.80  37  0.78  molprobity  1.000  
 6   6  11  148.380  25  0.73  39  0.99  molprobity  1.000  
 7   7  11  150.770  24  0.75  37  1.02  molprobity  1.000  
 8   8  11  147.090  21  0.63  32  0.78  molprobity  1.000  
 9   9  11  140.410  21  0.47  32  1.05  molprobity  1.000  
10  10  12  129.020  22  0.88  34  1.66  molprobity  1.000  
11  11  11  122.780  25  0.81  39  0.92  molprobity  1.000  
12  12  11  104.680  24  1.42  37  1.40  molprobity  1.000  
13  13  11   91.940  21  0.74  32  1.23  molprobity  1.000  
14  14  11   89.060  25  0.94  39  1.42  molprobity  1.000  
15  15  11   93.580  24  0.75  37  0.85  molprobity  1.000  
16  16  11  107.530  21  1.31  32  0.94  molprobity  1.000  
17  17  11  105.010  24  0.87  37  1.03  molprobity  1.000  
18  18  11  105.890  24  0.83  37  1.22  molprobity  1.000  
19  19  12  104.100  22  1.73  34  1.38  molprobity  1.000  
20  20  12  113.380  22  0.82  34  1.18  molprobity  1.000  
21  21  12  146.430  23  0.33  33  0.79  molprobity  1.000  
22  22  12   75.860  22  0.83  34  1.34  molprobity  1.000  
23  23  11   90.680  21  0.79  32  1.16  molprobity  1.000  
24  24  11  104.150  25  0.62  39  1.18  molprobity  1.000  
25  25  12   98.680  22  1.31  34  1.37  molprobity  1.000  
26  26  12   84.980  20  0.87  28  2.15  molprobity  1.000  
27  27  13  147.310  19  0.42  30  0.48  molprobity  1.000  
28  28  11  156.440  21  0.96  32  1.00  molprobity  1.000  
29  29  12  153.810  22  0.80  34  0.81  molprobity  1.000  
30  30  11  137.450  24  0.96  37  1.32  molprobity  1.000  
31  31  11  129.220  24  0.38  37  0.79  molprobity  1.000  
32  32  12  112.480  22  0.61  34  1.56  molprobity  1.000  
33  33  12   93.830  22  1.20  34  1.67  molprobity  1.000  
34  34  12   84.570  24  0.90  35  1.65  molprobity  1.000  
35  35  11   91.940  24  1.50  37  2.52  molprobity  1.000  
36  36  11  101.800  25  1.27  39  2.09  molprobity  1.000  
37  37  11  128.000  25  0.89  39  1.00  molprobity  1.000  
38  38  12  146.640  22  0.54  34  0.85  molprobity  1.000  
39  39  11  147.750  21  0.61  32  0.63  molprobity  1.000  
40  40  12  150.180  22  0.67  34  1.13  molprobity  1.000  
41  41  11  142.670  25  0.52  39  0.67  molprobity  1.000  
42  42  12  152.880  20  0.59  28  0.82  molprobity  1.000  
43  43  24  137.510  30  1.63  26  3.11  mogul       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   2  H8       1  0.58  1.87  
 2   2  OP2      1  0.58  1.87  
 3   7  "H2''"   2  0.46  2.14  
 4   8  "O5'"    2  0.46  2.14  
 5  11  "H2''"   3  0.50  2.10  
 6  12  OP2      3  0.50  2.10  
 7  12  "H1'"    4  0.45  2.17  
 8  13  "O4'"    4  0.45  2.17  
 9  18  "H2''"   5  0.85  1.58  
10  18  "H2''"   6  0.68  2.24  
11  18  "H5''"   7  0.77  1.49  
12  18  "H5''"   8  0.67  2.30  
13  18  H8       7  0.77  1.49  
14  18  C8       8  0.67  2.30  
15  18  "H4'"    9  0.53  2.07  
16  18  OP1      9  0.53  2.07  
17  18  "H2'"   10  0.43  2.00  
18  18  "C2'"   11  0.41  2.39  
19  19  "H5''"   5  0.85  1.58  
20  19  "H5''"  11  0.41  2.39  
21  19  "C5'"    6  0.68  2.24  
22  19  "H2''"  12  0.47  2.14  
23  19  H71     10  0.43  2.00  
24  20  "O4'"   12  0.47  2.14  
25  21  OP2     13  0.48  1.96  
26  21  H8      13  0.48  1.96  
27  22  "H2'"   14  0.44  2.52  
28  23  C6      14  0.44  2.52  
29  23  "H1'"   15  0.41  2.01  
30  24  "H5'"   15  0.41  2.01  
31  32  O2      16  0.81  1.80  
32  36  "H2'"   17  0.61  2.36  
33  36  "H2'"   18  0.52  1.72  
34  37  C8      17  0.61  2.36  
35  37  H8      18  0.52  1.72  
36  40  "H2''"  19  0.54  2.43  
37  41  C8      19  0.54  2.43  
38  41  "H2''"  20  0.52  1.92  
39  42  "H5'"   20  0.52  1.92  
40  43  H5      16  0.81  1.80  
41  43  O2      21  0.55  2.06  
42  43  O2      22  0.49  2.60  
43  43  H13     21  0.55  2.06  
44  43  C13     22  0.49  2.60  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1  34  "O3'"  0  1_555  0.05  2.15  
2  35  OP1    0  2_554  0.05  2.15  
#
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
_pdbx_vrpt_instance_intra_bond_outliers.link
1  12  "O3'"  P  1.539  1.607  0.012  -5.65  Y  
2  19  "O3'"  P  1.536  1.607  0.012  -5.93  Y  
3  25  "O3'"  P  1.545  1.607  0.012  -5.18  Y  
#
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  10  "O5'"  P      OP1     99.230  105.700  0.900  -7.19  
 2  14  "C1'"  "O4'"  "C4'"  103.227  110.100  1.000  -6.87  
 3  26  "O5'"  P      OP2    117.362  110.700  1.200   5.55  
 4  32  "O5'"  P      OP2    116.727  110.700  1.200   5.02  
 5  33  "O5'"  P      OP1    100.364  105.700  0.900  -5.93  
 6  34  "O5'"  P      OP2    116.920  110.700  1.200   5.18  
 7  35  "O4'"  "C4'"  "C3'"  100.615  106.000  0.600  -8.97  
 8  35  "O5'"  P      OP1     98.036  105.700  0.900  -8.52  
 9  36  "C1'"  "O4'"  "C4'"  103.999  110.100  1.000  -6.10  
10  36  "O4'"  "C4'"  "C3'"  101.572  104.500  0.400  -7.32  
#
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  43  C4   N4   1.36  1.41  10000  0.02  -2.79  0.00  
2  43  C11  C10  1.44  1.39     24  0.01   5.26  0.04  
3  43  C17  C18  1.55  1.50     25  0.01   4.05  0.03  
#
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  43  N2   C1   N3   124.68  119.19    20  2.31   2.37  1.25  
 2  43  C2   N3   C1   117.13  122.43    23  0.96  -5.52  2.79  
 3  43  C3   C2   N3   121.84  113.17   889  2.81   3.09  0.00  
 4  43  C2   C3   N4   118.37  114.50    44  1.47   2.63  1.56  
 5  43  C4   N4   C3   123.46  127.50  1282  1.75  -2.30  0.05  
 6  43  C5   C4   C7   104.47  106.05    29  0.49  -3.22  0.46  
 7  43  C7   N5   C6   114.13  108.65    50  1.06   5.16  0.69  
 8  43  C8   N5   C7   119.45  124.90   324  1.88  -2.90  0.03  
 9  43  O2   C9   N6   116.03  123.71  9192  2.28  -3.36  0.02  
10  43  C13  C10  C11  103.07  106.05    29  0.49  -6.09  1.87  
11  43  C13  N7   C12  113.80  108.65    50  1.06   4.84  0.36  
12  43  C14  N7   C13  119.65  124.90   324  1.88  -2.79  0.17  
13  43  O3   C15  N8   114.65  122.61  5041  1.99  -3.99  0.00  
14  43  C17  C16  N8   123.69  111.90   404  2.02   5.84  2.72  
15  43  C17  C18  N10  123.21  117.15    25  2.67   2.27  2.12  
#
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  43  N3   C2   C3   O1   -81.57  69.74  927  19.17  1.68  0.76  
2  43  N3   C2   C3   N4   101.76  70.07  916  20.41  1.21  0.76  
3  43  C16  C17  C18  N10  -18.02  81.03   41  34.92  3.17  2.44  
#
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  0.065  -1.600  
 2   2  21  0.948  0.066  -1.616  
 3   3  22  0.943  0.080  -1.414  
 4   4  19  0.927  0.084  -1.374  
 5   5  21  0.917  0.091  -1.301  
 6   6  22  0.954  0.073  -1.501  
 7   7  21  0.945  0.074  -1.515  
 8   8  19  0.945  0.063  -1.618  
 9   9  19  0.936  0.100  -1.189  
10  10  20  0.958  0.100  -1.236  
11  11  22  0.915  0.113  -1.005  
12  12  21  0.972  0.099  -1.200  
13  13  19  0.983  0.110  -1.073  
14  14  22  0.985  0.109  -1.055  
15  15  21  0.981  0.107  -1.099  
16  16  19  0.972  0.113  -1.038  
17  17  21  0.965  0.091  -1.301  
18  18  21  0.962  0.100  -1.188  
19  19  20  0.937  0.107  -1.156  
20  20  20  0.957  0.099  -1.247  
21  21  21  0.948  0.071  -1.553  
22  22  20  0.970  0.150  -0.664  
23  23  19  0.980  0.107  -1.108  
24  24  22  0.985  0.114  -0.993  
25  25  20  0.977  0.123  -0.973  
26  26  19  0.974  0.143  -0.691  
27  27  17  0.960  0.104  -1.190  
28  28  19  0.916  0.087  -1.340  
29  29  20  0.913  0.101  -1.224  
30  30  21  0.951  0.087  -1.351  
31  31  21  0.971  0.071  -1.553  
32  32  20  0.967  0.107  -1.156  
33  33  20  0.978  0.115  -1.064  
34  34  22  0.969  0.145  -0.608  
35  35  21  0.968  0.111  -1.049  
36  36  22  0.958  0.079  -1.426  
37  37  22  0.940  0.072  -1.513  
38  38  20  0.885  0.110  -1.121  
39  39  19  0.908  0.086  -1.351  
40  40  20  0.896  0.100  -1.236  
41  41  22  0.949  0.068  -1.563  
42  42  19  0.950  0.087  -1.340  
43  43  31  0.886  0.179       ?  
#
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  
##
