data_7CSS

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   7CSS   
BMRB  36371  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    7CSS
_pdbx_vrpt_summary.PDB_deposition_date         2020-08-17
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:05:43
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshiftanalysis,restraintsanalysis,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  CYS-CYS-GLU-LEU-CYS-CYS-ASN-PRO-ALA-CYS-THR-GLY-CYS
#
_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  pdb    
2  nmr  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_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   21.91  158937  ?     ?     
2  2  1   47.06   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3   12.80  154315  ?     ?     
6  2  3   59.19   11428  ?     ?     
#
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  5  3  A   1  1  A    9.03  
 4  6  3  A   1  1  A    9.03  
 5  3  2  A   2  1  A  100.00  
 6  4  2  A   2  1  A  100.00  
 7  5  3  A   2  1  A    9.03  
 8  6  3  A   2  1  A    9.03  
 9  3  2  A   3  1  A  100.00  
10  4  2  A   3  1  A  100.00  
11  5  3  A   3  1  A    9.03  
12  6  3  A   3  1  A    9.03  
13  3  2  A   4  1  A  100.00  
14  4  2  A   4  1  A  100.00  
15  5  3  A   4  1  A    9.03  
16  6  3  A   4  1  A    9.03  
17  3  2  A   5  1  A  100.00  
18  4  2  A   5  1  A  100.00  
19  5  3  A   5  1  A    9.03  
20  6  3  A   5  1  A    9.03  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A    9.03  
24  6  3  A   6  1  A    9.03  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A    9.03  
28  6  3  A   7  1  A    9.03  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A    9.03  
32  6  3  A   8  1  A    9.03  
33  3  2  A   9  1  A  100.00  
34  4  2  A   9  1  A  100.00  
35  5  3  A   9  1  A    9.03  
36  6  3  A   9  1  A    9.03  
37  3  2  A  10  1  A  100.00  
38  4  2  A  10  1  A  100.00  
39  5  3  A  10  1  A    9.03  
40  6  3  A  10  1  A    9.03  
#
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  0.50  0.50  85  113  
 2   2  1  A  A  0.50  0.50  85  113  
 3   3  1  A  A  0.50  0.50  85  113  
 4   4  1  A  A  0.50  0.50  85  113  
 5   5  1  A  A  0.50  0.50  85  113  
 6   6  1  A  A  0.50  0.49  85  113  
 7   7  1  A  A  0.50  0.50  85  113  
 8   8  1  A  A  0.50  0.50  85  113  
 9   9  1  A  A  0.50  0.50  85  113  
10  10  1  A  A  0.49  0.49  85  113  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   9.09
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       9.09
_pdbx_vrpt_summary_geometry.clashscore                                 12.82
_pdbx_vrpt_summary_geometry.clashscore_full_length                     12.82
_pdbx_vrpt_summary_geometry.num_H_reduce                               710
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             850
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.50
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1130
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.50
#
_pdbx_vrpt_summary_nmr.exp_method                               nmr
_pdbx_vrpt_summary_nmr.ordinal                                  1
_pdbx_vrpt_summary_nmr.nmr_models_consistency_flag              True
_pdbx_vrpt_summary_nmr.nmrclust_representative_model            7
_pdbx_vrpt_summary_nmr.medoid_model                             2
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              0
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                10
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              1
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              49.22
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  49.22
#
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
  1   1  1  A   1  CYS  A   1  .  ?        ?  
  2   1  1  A   2  CYS  A   2  .  ?        ?  
  3   1  1  A   3  GLU  A   3  .  ?        ?  
  4   1  1  A   4  LEU  A   4  .  ?        ?  
  5   1  1  A   5  CYS  A   5  .  ?        2  
  6   1  1  A   6  CYS  A   6  .  ?        ?  
  7   1  1  A   7  ASN  A   7  .  ?        ?  
  8   1  1  A   8  PRO  A   8  .  ?        ?  
  9   1  1  A   9  ALA  A   9  .  ?        ?  
 10   1  1  A  10  CYS  A  10  .  ?        ?  
 11   1  1  A  11  THR  A  11  .  ?        ?  
 12   1  1  A  12  GLY  A  12  .  ?        ?  
 13   1  1  A  13  CYS  A  13  .  ?        2  
 14   2  1  A   1  CYS  A   1  .  ?        ?  
 15   2  1  A   2  CYS  A   2  .  ?        ?  
 16   2  1  A   3  GLU  A   3  .  ?        ?  
 17   2  1  A   4  LEU  A   4  .  ?        ?  
 18   2  1  A   5  CYS  A   5  .  ?        2  
 19   2  1  A   6  CYS  A   6  .  ?        ?  
 20   2  1  A   7  ASN  A   7  .  ?        ?  
 21   2  1  A   8  PRO  A   8  .  ?        ?  
 22   2  1  A   9  ALA  A   9  .  ?        ?  
 23   2  1  A  10  CYS  A  10  .  ?        ?  
 24   2  1  A  11  THR  A  11  .  ?        ?  
 25   2  1  A  12  GLY  A  12  .  ?        ?  
 26   2  1  A  13  CYS  A  13  .  ?        2  
 27   3  1  A   1  CYS  A   1  .  ?        ?  
 28   3  1  A   2  CYS  A   2  .  ?        ?  
 29   3  1  A   3  GLU  A   3  .  ?        ?  
 30   3  1  A   4  LEU  A   4  .  ?        ?  
 31   3  1  A   5  CYS  A   5  .  ?        2  
 32   3  1  A   6  CYS  A   6  .  ?        ?  
 33   3  1  A   7  ASN  A   7  .  ?        ?  
 34   3  1  A   8  PRO  A   8  .  ?        ?  
 35   3  1  A   9  ALA  A   9  .  ?        ?  
 36   3  1  A  10  CYS  A  10  .  ?        ?  
 37   3  1  A  11  THR  A  11  .  ?        ?  
 38   3  1  A  12  GLY  A  12  .  ?        ?  
 39   3  1  A  13  CYS  A  13  .  ?        2  
 40   4  1  A   1  CYS  A   1  .  ?        ?  
 41   4  1  A   2  CYS  A   2  .  ?        ?  
 42   4  1  A   3  GLU  A   3  .  ?        ?  
 43   4  1  A   4  LEU  A   4  .  ?        ?  
 44   4  1  A   5  CYS  A   5  .  ?        2  
 45   4  1  A   6  CYS  A   6  .  ?        ?  
 46   4  1  A   7  ASN  A   7  .  ?        ?  
 47   4  1  A   8  PRO  A   8  .  ?        ?  
 48   4  1  A   9  ALA  A   9  .  ?        ?  
 49   4  1  A  10  CYS  A  10  .  ?        ?  
 50   4  1  A  11  THR  A  11  .  ?        ?  
 51   4  1  A  12  GLY  A  12  .  ?        ?  
 52   4  1  A  13  CYS  A  13  .  ?        2  
 53   5  1  A   1  CYS  A   1  .  ?        ?  
 54   5  1  A   2  CYS  A   2  .  ?        ?  
 55   5  1  A   3  GLU  A   3  .  ?        ?  
 56   5  1  A   4  LEU  A   4  .  ?        ?  
 57   5  1  A   5  CYS  A   5  .  ?        2  
 58   5  1  A   6  CYS  A   6  .  ?        ?  
 59   5  1  A   7  ASN  A   7  .  ?        ?  
 60   5  1  A   8  PRO  A   8  .  ?        ?  
 61   5  1  A   9  ALA  A   9  .  ?        ?  
 62   5  1  A  10  CYS  A  10  .  ?        ?  
 63   5  1  A  11  THR  A  11  .  ?        ?  
 64   5  1  A  12  GLY  A  12  .  ?        ?  
 65   5  1  A  13  CYS  A  13  .  ?        2  
 66   6  1  A   1  CYS  A   1  .  ?        ?  
 67   6  1  A   2  CYS  A   2  .  ?        ?  
 68   6  1  A   3  GLU  A   3  .  ?        ?  
 69   6  1  A   4  LEU  A   4  .  ?        ?  
 70   6  1  A   5  CYS  A   5  .  ?        2  
 71   6  1  A   6  CYS  A   6  .  ?        ?  
 72   6  1  A   7  ASN  A   7  .  ?        ?  
 73   6  1  A   8  PRO  A   8  .  ?        ?  
 74   6  1  A   9  ALA  A   9  .  ?        ?  
 75   6  1  A  10  CYS  A  10  .  ?        ?  
 76   6  1  A  11  THR  A  11  .  ?        ?  
 77   6  1  A  12  GLY  A  12  .  ?        ?  
 78   6  1  A  13  CYS  A  13  .  ?        2  
 79   7  1  A   1  CYS  A   1  .  ?        ?  
 80   7  1  A   2  CYS  A   2  .  ?        ?  
 81   7  1  A   3  GLU  A   3  .  ?        ?  
 82   7  1  A   4  LEU  A   4  .  ?        ?  
 83   7  1  A   5  CYS  A   5  .  ?        2  
 84   7  1  A   6  CYS  A   6  .  ?        ?  
 85   7  1  A   7  ASN  A   7  .  ?        ?  
 86   7  1  A   8  PRO  A   8  .  ?        ?  
 87   7  1  A   9  ALA  A   9  .  ?        ?  
 88   7  1  A  10  CYS  A  10  .  ?        ?  
 89   7  1  A  11  THR  A  11  .  ?        ?  
 90   7  1  A  12  GLY  A  12  .  ?        ?  
 91   7  1  A  13  CYS  A  13  .  ?        2  
 92   8  1  A   1  CYS  A   1  .  ?        ?  
 93   8  1  A   2  CYS  A   2  .  ?        ?  
 94   8  1  A   3  GLU  A   3  .  ?        ?  
 95   8  1  A   4  LEU  A   4  .  ?        ?  
 96   8  1  A   5  CYS  A   5  .  ?        2  
 97   8  1  A   6  CYS  A   6  .  ?        ?  
 98   8  1  A   7  ASN  A   7  .  ?        ?  
 99   8  1  A   8  PRO  A   8  .  ?        ?  
100   8  1  A   9  ALA  A   9  .  ?        ?  
101   8  1  A  10  CYS  A  10  .  ?        ?  
102   8  1  A  11  THR  A  11  .  ?        ?  
103   8  1  A  12  GLY  A  12  .  ?        ?  
104   8  1  A  13  CYS  A  13  .  ?        2  
105   9  1  A   1  CYS  A   1  .  ?        ?  
106   9  1  A   2  CYS  A   2  .  ?        ?  
107   9  1  A   3  GLU  A   3  .  ?        ?  
108   9  1  A   4  LEU  A   4  .  ?        ?  
109   9  1  A   5  CYS  A   5  .  ?        2  
110   9  1  A   6  CYS  A   6  .  ?        ?  
111   9  1  A   7  ASN  A   7  .  ?        ?  
112   9  1  A   8  PRO  A   8  .  ?        ?  
113   9  1  A   9  ALA  A   9  .  ?        ?  
114   9  1  A  10  CYS  A  10  .  ?        ?  
115   9  1  A  11  THR  A  11  .  ?        ?  
116   9  1  A  12  GLY  A  12  .  ?        ?  
117   9  1  A  13  CYS  A  13  .  ?        2  
118  10  1  A   1  CYS  A   1  .  ?        ?  
119  10  1  A   2  CYS  A   2  .  ?        ?  
120  10  1  A   3  GLU  A   3  .  ?        ?  
121  10  1  A   4  LEU  A   4  .  ?        ?  
122  10  1  A   5  CYS  A   5  .  ?        2  
123  10  1  A   6  CYS  A   6  .  ?        ?  
124  10  1  A   7  ASN  A   7  .  ?        ?  
125  10  1  A   8  PRO  A   8  .  ?        ?  
126  10  1  A   9  ALA  A   9  .  ?        ?  
127  10  1  A  10  CYS  A  10  .  ?        ?  
128  10  1  A  11  THR  A  11  .  ?        ?  
129  10  1  A  12  GLY  A  12  .  ?        ?  
130  10  1  A  13  CYS  A  13  .  ?        2  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_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.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  m             ?      ?  ?         6  6  0.57   8  0.31  molprobity  1  True  
  2    2  m         -97.2  -55.0  Favored   4  6  0.26   8  0.30  molprobity  1  True  
  3    3  mt-10    -146.2  -67.8  Allowed   6  9  0.27  12  0.32  molprobity  1  True  
  4    4  mt       -112.9  -22.4  Favored  11  8  0.30  11  0.36  molprobity  1  True  
  5    5  m         -88.6  115.1  Favored   4  6  0.38   8  0.61  molprobity  1  True  
  6    6  m        -111.7   34.0  Favored   4  6  0.46   8  0.47  molprobity  1  True  
  7    7  t-20      -92.3  164.4  Favored   6  8  0.73  12  0.73  molprobity  1  True  
  8    8  Cg_exo    -80.8   30.0  Allowed   7  8  0.45  11  0.68  molprobity  1  True  
  9    9  ?        -156.9   -2.5  Allowed   5  5  0.55   7  0.47  molprobity  1  True  
 10   10  t          64.2   36.6  Favored   4  6  0.66   8  0.38  molprobity  1  True  
 11   11  OUTLIER  -134.2   37.2  Favored   7  7  0.58  10  0.46  molprobity  1  True  
 12   12  ?        -140.9   80.6  Allowed   3  4  0.16   5  0.57  molprobity  1  True  
 13   13  m             ?      ?  ?         4  6  0.68   5  0.43  molprobity  1  True  
 14   14  m             ?      ?  ?         6  6  0.59   8  0.32  molprobity  1  True  
 15   15  m         -97.2  -55.0  Favored   4  6  0.27   8  0.30  molprobity  1  True  
 16   16  mt-10    -146.4  -67.8  Allowed   6  9  0.25  12  0.32  molprobity  1  True  
 17   17  mt       -112.7  -22.4  Favored  11  8  0.29  11  0.36  molprobity  1  True  
 18   18  m         -88.8  115.2  Favored   4  6  0.39   8  0.62  molprobity  1  True  
 19   19  m        -111.8   33.9  Favored   4  6  0.46   8  0.47  molprobity  1  True  
 20   20  t-20      -92.2  164.5  Favored   6  8  0.72  12  0.73  molprobity  1  True  
 21   21  Cg_exo    -80.8   29.9  Allowed   7  8  0.46  11  0.69  molprobity  1  True  
 22   22  ?        -156.9   -2.5  Allowed   5  5  0.53   7  0.47  molprobity  1  True  
 23   23  t          64.3   36.5  Favored   4  6  0.65   8  0.40  molprobity  1  True  
 24   24  OUTLIER  -134.1   37.1  Favored   7  7  0.58  10  0.46  molprobity  1  True  
 25   25  ?        -140.8   80.6  Allowed   3  4  0.17   5  0.57  molprobity  1  True  
 26   26  m             ?      ?  ?         4  6  0.67   5  0.44  molprobity  1  True  
 27   27  m             ?      ?  ?         6  6  0.57   8  0.32  molprobity  1  True  
 28   28  m         -97.2  -54.9  Favored   4  6  0.27   8  0.30  molprobity  1  True  
 29   29  mt-10    -146.2  -67.8  Allowed   6  9  0.26  12  0.32  molprobity  1  True  
 30   30  mt       -112.8  -22.4  Favored  11  8  0.29  11  0.37  molprobity  1  True  
 31   31  m         -88.7  115.1  Favored   4  6  0.38   8  0.62  molprobity  1  True  
 32   32  m        -111.7   33.8  Favored   4  6  0.46   8  0.48  molprobity  1  True  
 33   33  t-20      -92.2  164.4  Favored   6  8  0.72  12  0.73  molprobity  1  True  
 34   34  Cg_exo    -80.9   29.9  Allowed   7  8  0.46  11  0.68  molprobity  1  True  
 35   35  ?        -156.8   -2.6  Allowed   5  5  0.55   7  0.47  molprobity  1  True  
 36   36  t          64.3   36.5  Favored   4  6  0.67   8  0.39  molprobity  1  True  
 37   37  OUTLIER  -134.2   37.1  Favored   7  7  0.58  10  0.45  molprobity  1  True  
 38   38  ?        -140.9   80.6  Allowed   3  4  0.17   5  0.56  molprobity  1  True  
 39   39  m             ?      ?  ?         4  6  0.66   5  0.44  molprobity  1  True  
 40   40  m             ?      ?  ?         6  6  0.58   8  0.32  molprobity  1  True  
 41   41  m         -97.0  -55.0  Favored   4  6  0.27   8  0.30  molprobity  1  True  
 42   42  mt-10    -146.4  -67.8  Allowed   6  9  0.25  12  0.32  molprobity  1  True  
 43   43  mt       -112.7  -22.4  Favored  11  8  0.29  11  0.36  molprobity  1  True  
 44   44  m         -88.8  115.2  Favored   4  6  0.40   8  0.61  molprobity  1  True  
 45   45  m        -111.7   33.8  Favored   4  6  0.47   8  0.48  molprobity  1  True  
 46   46  t-20      -92.2  164.5  Favored   6  8  0.72  12  0.73  molprobity  1  True  
 47   47  Cg_exo    -80.9   30.0  Allowed   7  8  0.45  11  0.68  molprobity  1  True  
 48   48  ?        -156.9   -2.5  Allowed   5  5  0.54   7  0.47  molprobity  1  True  
 49   49  t          64.2   36.4  Favored   4  6  0.67   8  0.39  molprobity  1  True  
 50   50  OUTLIER  -134.2   37.0  Favored   7  7  0.58  10  0.46  molprobity  1  True  
 51   51  ?        -140.7   80.4  Allowed   3  4  0.14   5  0.58  molprobity  1  True  
 52   52  m             ?      ?  ?         4  6  0.67   5  0.44  molprobity  1  True  
 53   53  m             ?      ?  ?         6  6  0.57   8  0.31  molprobity  1  True  
 54   54  m         -97.0  -55.0  Favored   4  6  0.26   8  0.31  molprobity  1  True  
 55   55  mt-10    -146.4  -67.8  Allowed   6  9  0.25  12  0.33  molprobity  1  True  
 56   56  mt       -112.8  -22.4  Favored  11  8  0.29  11  0.37  molprobity  1  True  
 57   57  m         -88.7  115.2  Favored   4  6  0.40   8  0.60  molprobity  1  True  
 58   58  m        -111.8   33.9  Favored   4  6  0.44   8  0.47  molprobity  1  True  
 59   59  t-20      -92.3  164.4  Favored   6  8  0.73  12  0.73  molprobity  1  True  
 60   60  Cg_exo    -80.8   29.9  Allowed   7  8  0.47  11  0.68  molprobity  1  True  
 61   61  ?        -157.0   -2.4  Allowed   5  5  0.54   7  0.46  molprobity  1  True  
 62   62  t          64.2   36.5  Favored   4  6  0.66   8  0.40  molprobity  1  True  
 63   63  OUTLIER  -134.1   37.2  Favored   7  7  0.57  10  0.45  molprobity  1  True  
 64   64  ?        -140.9   80.5  Allowed   3  4  0.17   5  0.56  molprobity  1  True  
 65   65  m             ?      ?  ?         4  6  0.67   5  0.44  molprobity  1  True  
 66   66  m             ?      ?  ?         6  6  0.56   8  0.32  molprobity  1  True  
 67   67  m         -97.1  -55.1  Favored   4  6  0.27   8  0.30  molprobity  1  True  
 68   68  mt-10    -146.7  -67.8  Allowed   6  9  0.25  12  0.32  molprobity  1  True  
 69   69  mt       -112.5  -22.4  Favored  11  8  0.29  11  0.36  molprobity  1  True  
 70   70  m         -88.9  115.3  Favored   4  6  0.39   8  0.61  molprobity  1  True  
 71   71  m        -111.8   33.9  Favored   4  6  0.45   8  0.47  molprobity  1  True  
 72   72  t-20      -92.2  164.5  Favored   6  8  0.72  12  0.73  molprobity  1  True  
 73   73  Cg_exo    -80.8   29.9  Allowed   7  8  0.47  11  0.69  molprobity  1  True  
 74   74  ?        -156.9   -2.5  Allowed   5  5  0.55   7  0.47  molprobity  1  True  
 75   75  t          64.2   36.4  Favored   4  6  0.65   8  0.40  molprobity  1  True  
 76   76  OUTLIER  -133.9   37.2  Favored   7  7  0.58  10  0.46  molprobity  1  True  
 77   77  ?        -140.7   80.4  Allowed   3  4  0.18   5  0.56  molprobity  1  True  
 78   78  m             ?      ?  ?         4  6  0.67   5  0.45  molprobity  1  True  
 79   79  m             ?      ?  ?         6  6  0.57   8  0.32  molprobity  1  True  
 80   80  m         -97.1  -55.1  Favored   4  6  0.27   8  0.30  molprobity  1  True  
 81   81  mt-10    -146.7  -67.8  Allowed   6  9  0.27  12  0.32  molprobity  1  True  
 82   82  mt       -112.3  -22.4  Favored  11  8  0.30  11  0.36  molprobity  1  True  
 83   83  m         -89.1  115.5  Favored   4  6  0.37   8  0.62  molprobity  1  True  
 84   84  m        -112.1   34.0  Favored   4  6  0.46   8  0.48  molprobity  1  True  
 85   85  t-20      -92.3  164.5  Favored   6  8  0.72  12  0.73  molprobity  1  True  
 86   86  Cg_exo    -80.8   29.8  Allowed   7  8  0.47  11  0.68  molprobity  1  True  
 87   87  ?        -157.0   -2.3  Allowed   5  5  0.54   7  0.48  molprobity  1  True  
 88   88  t          64.3   36.4  Favored   4  6  0.67   8  0.39  molprobity  1  True  
 89   89  OUTLIER  -133.8   37.2  Favored   7  7  0.57  10  0.45  molprobity  1  True  
 90   90  ?        -140.8   80.4  Allowed   3  4  0.17   5  0.57  molprobity  1  True  
 91   91  m             ?      ?  ?         4  6  0.66   5  0.44  molprobity  1  True  
 92   92  m             ?      ?  ?         6  6  0.58   8  0.31  molprobity  1  True  
 93   93  m         -97.0  -55.1  Favored   4  6  0.25   8  0.30  molprobity  1  True  
 94   94  mt-10    -146.8  -67.8  Allowed   6  9  0.27  12  0.32  molprobity  1  True  
 95   95  mt       -112.3  -22.4  Favored  11  8  0.29  11  0.36  molprobity  1  True  
 96   96  m         -89.2  115.5  Favored   4  6  0.39   8  0.61  molprobity  1  True  
 97   97  m        -112.0   33.8  Favored   4  6  0.45   8  0.47  molprobity  1  True  
 98   98  t-20      -92.2  164.5  Favored   6  8  0.73  12  0.74  molprobity  1  True  
 99   99  Cg_exo    -80.8   30.0  Allowed   7  8  0.46  11  0.69  molprobity  1  True  
100  100  ?        -157.1   -2.5  Allowed   5  5  0.55   7  0.47  molprobity  1  True  
101  101  t          64.5   36.5  Favored   4  6  0.67   8  0.39  molprobity  1  True  
102  102  OUTLIER  -133.9   37.1  Favored   7  7  0.58  10  0.46  molprobity  1  True  
103  103  ?        -140.7   80.4  Allowed   3  4  0.18   5  0.55  molprobity  1  True  
104  104  m             ?      ?  ?         4  6  0.67   5  0.44  molprobity  1  True  
105  105  m             ?      ?  ?         6  6  0.58   8  0.33  molprobity  1  True  
106  106  m         -97.1  -55.3  Favored   4  6  0.28   8  0.30  molprobity  1  True  
107  107  mt-10    -146.8  -67.7  Allowed   6  9  0.25  12  0.32  molprobity  1  True  
108  108  mt       -112.2  -22.3  Favored  11  8  0.30  11  0.36  molprobity  1  True  
109  109  m         -89.3  115.6  Favored   4  6  0.38   8  0.61  molprobity  1  True  
110  110  m        -112.1   33.8  Favored   4  6  0.46   8  0.47  molprobity  1  True  
111  111  t-20      -92.2  164.5  Favored   6  8  0.73  12  0.73  molprobity  1  True  
112  112  Cg_exo    -80.9   30.0  Allowed   7  8  0.46  11  0.68  molprobity  1  True  
113  113  ?        -157.0   -2.6  Allowed   5  5  0.55   7  0.47  molprobity  1  True  
114  114  t          64.4   36.5  Favored   4  6  0.65   8  0.39  molprobity  1  True  
115  115  OUTLIER  -133.8   37.1  Favored   7  7  0.57  10  0.45  molprobity  1  True  
116  116  ?        -140.7   80.3  Allowed   3  4  0.19   5  0.57  molprobity  1  True  
117  117  m             ?      ?  ?         4  6  0.68   5  0.43  molprobity  1  True  
118  118  m             ?      ?  ?         6  6  0.59   8  0.32  molprobity  1  True  
119  119  m         -97.1  -54.9  Favored   4  6  0.26   8  0.30  molprobity  1  True  
120  120  mt-10    -146.1  -67.8  Allowed   6  9  0.26  12  0.32  molprobity  1  True  
121  121  mt       -112.9  -22.4  Favored  11  8  0.29  11  0.36  molprobity  1  True  
122  122  m         -88.5  115.1  Favored   4  6  0.40   8  0.60  molprobity  1  True  
123  123  m        -111.7   33.9  Favored   4  6  0.46   8  0.48  molprobity  1  True  
124  124  t-20      -92.2  164.4  Favored   6  8  0.71  12  0.73  molprobity  1  True  
125  125  Cg_exo    -80.9   29.9  Allowed   7  8  0.46  11  0.69  molprobity  1  True  
126  126  ?        -156.8   -2.6  Allowed   5  5  0.54   7  0.47  molprobity  1  True  
127  127  t          64.2   36.5  Favored   4  6  0.65   8  0.39  molprobity  1  True  
128  128  OUTLIER  -134.3   37.1  Favored   7  7  0.58  10  0.46  molprobity  1  True  
129  129  ?        -140.9   80.6  Allowed   3  4  0.17   5  0.56  molprobity  1  True  
130  130  m             ?      ?  ?         4  6  0.67   5  0.36  molprobity  1  True  
#
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    5  N    1  0.44  2.91  
 2    5  SG   2  0.42  2.93  
 3   13  SG   1  0.44  2.91  
 4   13  N    2  0.42  2.93  
 5   18  N    3  0.44  2.91  
 6   18  SG   4  0.42  2.93  
 7   26  SG   3  0.44  2.91  
 8   26  N    4  0.42  2.93  
 9   31  N    5  0.44  2.91  
10   31  SG   6  0.42  2.93  
11   39  SG   5  0.44  2.91  
12   39  N    6  0.42  2.93  
13   44  N    7  0.44  2.91  
14   44  SG   8  0.42  2.93  
15   52  SG   7  0.44  2.91  
16   52  N    8  0.42  2.93  
17   57  N    9  0.44  2.91  
18   57  SG  10  0.42  2.93  
19   65  SG   9  0.44  2.91  
20   65  N   10  0.42  2.93  
21   70  N   11  0.44  2.91  
22   70  SG  12  0.42  2.93  
23   78  SG  11  0.44  2.91  
24   78  N   12  0.42  2.93  
25   83  N   13  0.44  2.91  
26   83  SG  14  0.42  2.93  
27   91  SG  13  0.44  2.91  
28   91  N   14  0.42  2.93  
29   96  N   15  0.44  2.91  
30   96  SG  16  0.42  2.93  
31  104  SG  15  0.44  2.91  
32  104  N   16  0.42  2.93  
33  109  N   17  0.44  2.91  
34  109  SG  18  0.42  2.93  
35  117  SG  17  0.44  2.91  
36  117  N   18  0.42  2.93  
37  122  N   19  0.44  2.91  
38  122  SG  20  0.42  2.93  
39  130  SG  19  0.44  2.91  
40  130  N   20  0.42  2.93  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1  ?     
 2  1  ?     
 3  1  ?     
 4  1  ?     
 5  1  ?     
 6  1  ?     
 7  1  True  
 8  1  ?     
 9  1  ?     
10  1  ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  13
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.000
_pdbx_vrpt_cyrange_domain.medoid_model        2
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.005
_pdbx_vrpt_cyrange_domain.residue_string      A:1-A:13
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        BMRB-STtopo-CS.txt
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           63
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           63
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            63
_pdbx_vrpt_chemical_shift_list.number_of_unparsed_shifts         0
#
loop_
_pdbx_vrpt_random_coil_index.ordinal
_pdbx_vrpt_random_coil_index.auth_asym_id
_pdbx_vrpt_random_coil_index.rescode
_pdbx_vrpt_random_coil_index.auth_seq_id
_pdbx_vrpt_random_coil_index.value
 1  A  CYS   1  0.108  
 2  A  CYS   2  0.110  
 3  A  GLU   3  0.107  
 4  A  LEU   4  0.093  
 5  A  CYS   5  0.085  
 6  A  CYS   6  0.074  
 7  A  ASN   7  0.075  
 8  A  PRO   8  0.055  
 9  A  ALA   9  0.043  
10  A  CYS  10  0.027  
11  A  THR  11  0.054  
12  A  GLY  12  0.129  
13  A  CYS  13  0.179  
#
loop_
_pdbx_vrpt_referencing_offset.ordinal
_pdbx_vrpt_referencing_offset.label_atom_id
_pdbx_vrpt_referencing_offset.uncertainty
_pdbx_vrpt_referencing_offset.precision
_pdbx_vrpt_referencing_offset.value
_pdbx_vrpt_referencing_offset.number_of_measurements
1  C   0.50  0.00  0.00  0  
2  CA  0.50  0.00  0.00  0  
3  CB  0.50  0.00  0.00  0  
4  N   0.50  0.00  0.00  0  
#
loop_
_pdbx_vrpt_assign_completeness_well_defined.ordinal
_pdbx_vrpt_assign_completeness_well_defined.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_well_defined.number_of_shifts
_pdbx_vrpt_assign_completeness_well_defined.type
_pdbx_vrpt_assign_completeness_well_defined.element
 1   0   1    1  stereomethyl  stereomethyl  
 2  63  65  128  overall       Total         
 3  23  41   64  backbone      Total         
 4  40  24   64  sidechain     Total         
 5  63   5   68  overall       H             
 6  23   3   26  backbone      H             
 7  40   2   42  sidechain     H             
 8   0  47   47  overall       C             
 9   0  26   26  backbone      C             
10   0  21   21  sidechain     C             
11   0  13   13  overall       N             
12   0  12   12  backbone      N             
13   0   1    1  sidechain     N             
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1   0   1    1  stereomethyl  stereomethyl  
 2  63  65  128  overall       Total         
 3  23  41   64  backbone      Total         
 4  40  24   64  sidechain     Total         
 5  63   5   68  overall       H             
 6  23   3   26  backbone      H             
 7  40   2   42  sidechain     H             
 8   0  47   47  overall       C             
 9   0  26   26  backbone      C             
10   0  21   21  sidechain     C             
11   0  13   13  overall       N             
12   0  12   12  backbone      N             
13   0   1    1  sidechain     N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     61  
 2  "Intra-residue (|i-j|=0)"                       21  
 3  "Sequential (|i-j|=1)"                          26  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             7  
 5  "Long range (|i-j|>=5)"                          7  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"                0  
10  "Number of unmapped restraints"                  0  
11  "Number of restraints per residue"             4.7  
12  "Number of long range restraints per residue"  0.5  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                 21   34.4  1   1.6   4.8  1   1.6   4.8  
 2  Intra-residue  BackboneBackbone     6    9.8  0   0.0   0.0  0   0.0   0.0  
 3  Intra-residue  BackboneSidechain   11   18.0  1   1.6   9.1  1   1.6   9.1  
 4  Intra-residue  SidechainSidechain   4    6.6  0   0.0   0.0  0   0.0   0.0  
 5  Sequential     all                 26   42.6  3   4.9  11.5  3   4.9  11.5  
 6  Sequential     BackboneBackbone    17   27.9  2   3.3  11.8  2   3.3  11.8  
 7  Sequential     BackboneSidechain    6    9.8  0   0.0   0.0  0   0.0   0.0  
 8  Sequential     SidechainSidechain   3    4.9  1   1.6  33.3  1   1.6  33.3  
 9  MediumRange    all                  7   11.5  3   4.9  42.9  3   4.9  42.9  
10  MediumRange    BackboneBackbone     3    4.9  1   1.6  33.3  1   1.6  33.3  
11  MediumRange    BackboneSidechain    4    6.6  2   3.3  50.0  2   3.3  50.0  
12  MediumRange    SidechainSidechain   0    0.0  0   0.0   0.0  0   0.0   0.0  
13  LongRange      all                  7   11.5  0   0.0   0.0  0   0.0   0.0  
14  LongRange      BackboneBackbone     2    3.3  0   0.0   0.0  0   0.0   0.0  
15  LongRange      BackboneSidechain    5    8.2  0   0.0   0.0  0   0.0   0.0  
16  LongRange      SidechainSidechain   0    0.0  0   0.0   0.0  0   0.0   0.0  
17  InterChain     all                  0    0.0  0   0.0   0.0  0   0.0   0.0  
18  InterChain     BackboneBackbone     0    0.0  0   0.0   0.0  0   0.0   0.0  
19  InterChain     BackboneSidechain    0    0.0  0   0.0   0.0  0   0.0   0.0  
20  InterChain     SidechainSidechain   0    0.0  0   0.0   0.0  0   0.0   0.0  
21  HydrogenBond   all                  0    0.0  0   0.0   0.0  0   0.0   0.0  
22  DisulfideBond  all                  0    0.0  0   0.0   0.0  0   0.0   0.0  
23  Total          all                 61  100.0  7  11.5  11.5  7  11.5  11.5  
24  Total          BackboneBackbone    28   45.9  3   4.9  10.7  3   4.9  10.7  
25  Total          BackboneSidechain   26   42.6  3   4.9  11.5  3   4.9  11.5  
26  Total          SidechainSidechain   7   11.5  1   1.6  14.3  1   1.6  14.3  
#
loop_
_pdbx_vrpt_distance_violation_model_summary.ordinal
_pdbx_vrpt_distance_violation_model_summary.PDB_model_num
_pdbx_vrpt_distance_violation_model_summary.max_violation
_pdbx_vrpt_distance_violation_model_summary.mean_violation
_pdbx_vrpt_distance_violation_model_summary.median_violation
_pdbx_vrpt_distance_violation_model_summary.standard_deviation
 1   1  11.50  3.66  0.33  4.93  
 2   2  11.50  3.66  0.33  4.93  
 3   3  11.50  3.66  0.33  4.93  
 4   4  11.50  3.66  0.33  4.93  
 5   5  11.50  3.66  0.33  4.93  
 6   6  11.50  3.66  0.34  4.93  
 7   7  11.51  3.67  0.34  4.93  
 8   8  11.51  3.67  0.34  4.93  
 9   9  11.51  3.67  0.35  4.93  
10  10  11.49  3.66  0.33  4.93  
#
loop_
_pdbx_vrpt_distance_violation_model_restraints.ordinal
_pdbx_vrpt_distance_violation_model_restraints.PDB_model_num
_pdbx_vrpt_distance_violation_model_restraints.dist_rest_type
_pdbx_vrpt_distance_violation_model_restraints.violations_count
 1   1  intraresidue  1  
 2   1  sequential    3  
 3   1  medium        3  
 4   1  long          0  
 5   1  interchain    0  
 6   1  total         7  
 7   2  intraresidue  1  
 8   2  sequential    3  
 9   2  medium        3  
10   2  long          0  
11   2  interchain    0  
12   2  total         7  
13   3  intraresidue  1  
14   3  sequential    3  
15   3  medium        3  
16   3  long          0  
17   3  interchain    0  
18   3  total         7  
19   4  intraresidue  1  
20   4  sequential    3  
21   4  medium        3  
22   4  long          0  
23   4  interchain    0  
24   4  total         7  
25   5  intraresidue  1  
26   5  sequential    3  
27   5  medium        3  
28   5  long          0  
29   5  interchain    0  
30   5  total         7  
31   6  intraresidue  1  
32   6  sequential    3  
33   6  medium        3  
34   6  long          0  
35   6  interchain    0  
36   6  total         7  
37   7  intraresidue  1  
38   7  sequential    3  
39   7  medium        3  
40   7  long          0  
41   7  interchain    0  
42   7  total         7  
43   8  intraresidue  1  
44   8  sequential    3  
45   8  medium        3  
46   8  long          0  
47   8  interchain    0  
48   8  total         7  
49   9  intraresidue  1  
50   9  sequential    3  
51   9  medium        3  
52   9  long          0  
53   9  interchain    0  
54   9  total         7  
55  10  intraresidue  1  
56  10  sequential    3  
57  10  medium        3  
58  10  long          0  
59  10  interchain    0  
60  10  total         7  
#
loop_
_pdbx_vrpt_distance_violations_ensemble_summary.id
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_distance_violations_ensemble_summary.fraction_of_ensemble_percent
 1   1   10.0  
 2   2   20.0  
 3   3   30.0  
 4   4   40.0  
 5   5   50.0  
 6   6   60.0  
 7   7   70.0  
 8   8   80.0  
 9   9   90.0  
10  10  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
 1   1  intraresidue  0  
 2   1  sequential    0  
 3   1  medium        0  
 4   1  long          0  
 5   1  interchain    0  
 6   1  total         0  
 7   2  intraresidue  0  
 8   2  sequential    0  
 9   2  medium        0  
10   2  long          0  
11   2  interchain    0  
12   2  total         0  
13   3  intraresidue  0  
14   3  sequential    0  
15   3  medium        0  
16   3  long          0  
17   3  interchain    0  
18   3  total         0  
19   4  intraresidue  0  
20   4  sequential    0  
21   4  medium        0  
22   4  long          0  
23   4  interchain    0  
24   4  total         0  
25   5  intraresidue  0  
26   5  sequential    0  
27   5  medium        0  
28   5  long          0  
29   5  interchain    0  
30   5  total         0  
31   6  intraresidue  0  
32   6  sequential    0  
33   6  medium        0  
34   6  long          0  
35   6  interchain    0  
36   6  total         0  
37   7  intraresidue  0  
38   7  sequential    0  
39   7  medium        0  
40   7  long          0  
41   7  interchain    0  
42   7  total         0  
43   8  intraresidue  0  
44   8  sequential    0  
45   8  medium        0  
46   8  long          0  
47   8  interchain    0  
48   8  total         0  
49   9  intraresidue  0  
50   9  sequential    0  
51   9  medium        0  
52   9  long          0  
53   9  interchain    0  
54   9  total         0  
55  10  intraresidue  1  
56  10  sequential    3  
57  10  medium        3  
58  10  long          0  
59  10  interchain    0  
60  10  total         7  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2   0.2  2.0  
2  0.2-0.5   0.3  2.0  
3  >0.5     11.5  3.0  
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
1   2  1  .  A  4  LEU  ?     1  A  4  H    A  .   8  PRO   8  A  1  ?     HB2  10  11.50  11.50  0.01  
2   1  1  .  A  4  LEU  ?     1  A  4  H    A  .   8  PRO   8  A  1  ?     HB3  10  11.30  11.30  0.01  
3  53  1  .  A  7  ASN  ?     1  A  7  HB3  A  .   6  CYS   6  A  1  ?     HB2  10   1.95   1.95  0.00  
4  47  1  .  A  5  CYS  ?     1  A  5  HA   A  .   1  CYS   1  A  1  ?     HA   10   0.34   0.33  0.01  
5  59  1  .  A  9  ALA  ?     1  A  9  H    A  .  10  CYS  10  A  1  ?     H    10   0.27   0.27  0.00  
6  14  1  .  A  7  ASN  ?     1  A  7  H    A  .   7  ASN   7  A  1  ?     HB3  10   0.16   0.16  0.00  
7  23  1  .  A  9  ALA  ?     1  A  9  H    A  .   8  PRO   8  A  1  ?     HA   10   0.13   0.13  0.00  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1   2  1   82   86  H    HB2  11.51  
 2   2  1   95   99  H    HB2  11.51  
 3   2  1  108  112  H    HB2  11.51  
 4   2  1    4    8  H    HB2  11.50  
 5   2  1   17   21  H    HB2  11.50  
 6   2  1   30   34  H    HB2  11.50  
 7   2  1   43   47  H    HB2  11.50  
 8   2  1   56   60  H    HB2  11.50  
 9   2  1   69   73  H    HB2  11.50  
10   2  1  121  125  H    HB2  11.49  
11   1  1   82   86  H    HB3  11.31  
12   1  1   95   99  H    HB3  11.31  
13   1  1   17   21  H    HB3  11.30  
14   1  1   56   60  H    HB3  11.30  
15   1  1   69   73  H    HB3  11.30  
16   1  1  108  112  H    HB3  11.30  
17   1  1    4    8  H    HB3  11.29  
18   1  1   30   34  H    HB3  11.29  
19   1  1   43   47  H    HB3  11.29  
20   1  1  121  125  H    HB3  11.29  
21  53  1    7    6  HB3  HB2   1.95  
22  53  1   20   19  HB3  HB2   1.95  
23  53  1   33   32  HB3  HB2   1.95  
24  53  1   46   45  HB3  HB2   1.95  
25  53  1   59   58  HB3  HB2   1.95  
26  53  1   72   71  HB3  HB2   1.95  
27  53  1   85   84  HB3  HB2   1.95  
28  53  1   98   97  HB3  HB2   1.95  
29  53  1  111  110  HB3  HB2   1.95  
30  53  1  124  123  HB3  HB2   1.95  
31  47  1  109  105  HA   HA    0.35  
32  47  1   70   66  HA   HA    0.34  
33  47  1   83   79  HA   HA    0.34  
34  47  1   96   92  HA   HA    0.34  
35  47  1    5    1  HA   HA    0.33  
36  47  1   18   14  HA   HA    0.33  
37  47  1   31   27  HA   HA    0.33  
38  47  1   44   40  HA   HA    0.33  
39  47  1   57   53  HA   HA    0.33  
40  47  1  122  118  HA   HA    0.33  
41  59  1    9   10  H    H     0.28  
42  59  1   22   23  H    H     0.28  
43  59  1  100  101  H    H     0.28  
44  59  1  113  114  H    H     0.28  
45  59  1   35   36  H    H     0.27  
46  59  1   48   49  H    H     0.27  
47  59  1   61   62  H    H     0.27  
48  59  1   74   75  H    H     0.27  
49  59  1   87   88  H    H     0.27  
50  59  1  126  127  H    H     0.27  
51  14  1    7    7  H    HB3   0.16  
52  14  1   20   20  H    HB3   0.16  
53  14  1   33   33  H    HB3   0.16  
54  14  1   46   46  H    HB3   0.16  
55  14  1   59   59  H    HB3   0.16  
56  14  1   72   72  H    HB3   0.16  
57  14  1   85   85  H    HB3   0.16  
58  14  1   98   98  H    HB3   0.16  
59  14  1  111  111  H    HB3   0.16  
60  14  1  124  124  H    HB3   0.16  
61  23  1   22   21  H    HA    0.13  
62  23  1   48   47  H    HA    0.13  
63  23  1   61   60  H    HA    0.13  
64  23  1   74   73  H    HA    0.13  
65  23  1   87   86  H    HA    0.13  
66  23  1  100   99  H    HA    0.13  
67  23  1    9    8  H    HA    0.12  
68  23  1   35   34  H    HA    0.12  
69  23  1  113  112  H    HA    0.12  
70  23  1  126  125  H    HA    0.12  
#
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  coreclust              2.33                                                                  Y  
3  chemicalshiftanalysis  2.33                                                                  Y  
4  panav                  "Wang et al. (2010)"                                                  Y  
5  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
6  restraintsanalysis     v1.2                                                                  Y  
7  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
