data_2MIH

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2MIH   
BMRB  19679  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2MIH
_pdbx_vrpt_summary.PDB_deposition_date         2013-12-13
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:21:55
_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  "CLAVATA-LIKE ENCODED PEPTIDE OF MELOIDOGYNE HAPLA - MHCLE6/7"
#
_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  42.17  158937  ?     ?     
2  2  1  60.50   12864  ?     ?     
3  1  2   0.98  154571  ?     ?     
4  2  2   8.40   11451  ?     ?     
5  1  3  30.51  154315  ?     ?     
6  2  3  79.39   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    0.10  
 2  4  2  A   1  1  A    0.10  
 3  5  3  A   1  1  A  100.00  
 4  6  3  A   1  1  A  100.00  
 5  3  2  A   2  1  A    0.03  
 6  4  2  A   2  1  A    0.03  
 7  5  3  A   2  1  A   12.54  
 8  6  3  A   2  1  A   12.54  
 9  3  2  A   3  1  A    0.10  
10  4  2  A   3  1  A    0.10  
11  5  3  A   3  1  A   12.54  
12  6  3  A   3  1  A   12.54  
13  3  2  A   4  1  A    0.64  
14  4  2  A   4  1  A    0.64  
15  5  3  A   4  1  A   12.54  
16  6  3  A   4  1  A   12.54  
17  3  2  A   5  1  A    0.64  
18  4  2  A   5  1  A    0.64  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A    0.64  
22  4  2  A   6  1  A    0.64  
23  5  3  A   6  1  A   12.54  
24  6  3  A   6  1  A   12.54  
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  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A    0.64  
30  4  2  A   8  1  A    0.64  
31  5  3  A   8  1  A   12.54  
32  6  3  A   8  1  A   12.54  
33  3  2  A   9  1  A    0.64  
34  4  2  A   9  1  A    0.64  
35  5  3  A   9  1  A  100.00  
36  6  3  A   9  1  A  100.00  
37  3  2  A  10  1  A    0.64  
38  4  2  A  10  1  A    0.64  
39  5  3  A  10  1  A   12.54  
40  6  3  A  10  1  A   12.54  
#
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  0.54  0.35  114  153  
 2   2  1  A  A  0.52  0.36  114  153  
 3   3  1  A  A  0.49  0.36  114  153  
 4   4  1  A  A  0.51  0.36  114  153  
 5   5  1  A  A  0.56  0.35  114  153  
 6   6  1  A  A  0.54  0.35  114  153  
 7   7  1  A  A  0.48  0.34  114  153  
 8   8  1  A  A  0.49  0.34  114  153  
 9   9  1  A  A  0.52  0.38  114  153  
10  10  1  A  A  0.48  0.33  114  153  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              10.83
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  10.83
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   4.62
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       4.62
_pdbx_vrpt_summary_geometry.clashscore                                 7.24
_pdbx_vrpt_summary_geometry.clashscore_full_length                     7.24
_pdbx_vrpt_summary_geometry.num_H_reduce                               1110
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1140
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.35
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1530
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.51
#
_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            8
_pdbx_vrpt_summary_nmr.medoid_model                             8
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              5
_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              64.74
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  64.74
#
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  HIS  A   1  .  ?        2  
  2   1  1  A   2  GLN  A   2  .  ?        ?  
  3   1  1  A   3  VAL  A   3  .  ?        ?  
  4   1  1  A   4  PRO  A   4  .  ?        ?  
  5   1  1  A   5  SER  A   5  .  ?        ?  
  6   1  1  A   6  GLY  A   6  .  ?        ?  
  7   1  1  A   7  PRO  A   7  .  ?        ?  
  8   1  1  A   8  ASN  A   8  .  ?        ?  
  9   1  1  A   9  PRO  A   9  .  ?        2  
 10   1  1  A  10  LEU  A  10  .  ?        ?  
 11   1  1  A  11  HIS  A  11  .  ?        ?  
 12   1  1  A  12  ASN  A  12  .  ?        ?  
 13   1  1  A  13  LYS  A  13  .  ?        ?  
 14   1  1  A  14  LYS  A  14  .  ?        ?  
 15   2  1  A   1  HIS  A   1  .  ?        ?  
 16   2  1  A   2  GLN  A   2  .  ?        ?  
 17   2  1  A   3  VAL  A   3  .  ?        ?  
 18   2  1  A   4  PRO  A   4  .  ?        ?  
 19   2  1  A   5  SER  A   5  .  ?        ?  
 20   2  1  A   6  GLY  A   6  .  ?        ?  
 21   2  1  A   7  PRO  A   7  .  ?        ?  
 22   2  1  A   8  ASN  A   8  .  ?        1  
 23   2  1  A   9  PRO  A   9  .  ?        ?  
 24   2  1  A  10  LEU  A  10  .  ?        2  
 25   2  1  A  11  HIS  A  11  .  ?        ?  
 26   2  1  A  12  ASN  A  12  .  ?        1  
 27   2  1  A  13  LYS  A  13  .  ?        ?  
 28   2  1  A  14  LYS  A  14  .  ?        ?  
 29   3  1  A   1  HIS  A   1  .  ?        ?  
 30   3  1  A   2  GLN  A   2  .  ?        ?  
 31   3  1  A   3  VAL  A   3  .  ?        ?  
 32   3  1  A   4  PRO  A   4  .  ?        ?  
 33   3  1  A   5  SER  A   5  .  ?        ?  
 34   3  1  A   6  GLY  A   6  .  ?        ?  
 35   3  1  A   7  PRO  A   7  .  ?        ?  
 36   3  1  A   8  ASN  A   8  .  ?        ?  
 37   3  1  A   9  PRO  A   9  .  ?        ?  
 38   3  1  A  10  LEU  A  10  .  ?        ?  
 39   3  1  A  11  HIS  A  11  .  ?        1  
 40   3  1  A  12  ASN  A  12  .  ?        1  
 41   3  1  A  13  LYS  A  13  .  ?        ?  
 42   3  1  A  14  LYS  A  14  .  ?        ?  
 43   4  1  A   1  HIS  A   1  .  ?        ?  
 44   4  1  A   2  GLN  A   2  .  ?        ?  
 45   4  1  A   3  VAL  A   3  .  ?        ?  
 46   4  1  A   4  PRO  A   4  .  ?        1  
 47   4  1  A   5  SER  A   5  .  ?        ?  
 48   4  1  A   6  GLY  A   6  .  ?        ?  
 49   4  1  A   7  PRO  A   7  .  ?        ?  
 50   4  1  A   8  ASN  A   8  .  ?        1  
 51   4  1  A   9  PRO  A   9  .  ?        ?  
 52   4  1  A  10  LEU  A  10  .  ?        ?  
 53   4  1  A  11  HIS  A  11  .  ?        ?  
 54   4  1  A  12  ASN  A  12  .  ?        ?  
 55   4  1  A  13  LYS  A  13  .  ?        ?  
 56   4  1  A  14  LYS  A  14  .  ?        ?  
 57   5  1  A   1  HIS  A   1  .  ?        2  
 58   5  1  A   2  GLN  A   2  .  ?        ?  
 59   5  1  A   3  VAL  A   3  .  ?        ?  
 60   5  1  A   4  PRO  A   4  .  ?        3  
 61   5  1  A   5  SER  A   5  .  ?        ?  
 62   5  1  A   6  GLY  A   6  .  ?        ?  
 63   5  1  A   7  PRO  A   7  .  ?        ?  
 64   5  1  A   8  ASN  A   8  .  ?        1  
 65   5  1  A   9  PRO  A   9  .  ?        ?  
 66   5  1  A  10  LEU  A  10  .  ?        ?  
 67   5  1  A  11  HIS  A  11  .  ?        ?  
 68   5  1  A  12  ASN  A  12  .  ?        ?  
 69   5  1  A  13  LYS  A  13  .  ?        ?  
 70   5  1  A  14  LYS  A  14  .  ?        ?  
 71   6  1  A   1  HIS  A   1  .  ?        ?  
 72   6  1  A   2  GLN  A   2  .  ?        ?  
 73   6  1  A   3  VAL  A   3  .  ?        1  
 74   6  1  A   4  PRO  A   4  .  ?        2  
 75   6  1  A   5  SER  A   5  .  ?        ?  
 76   6  1  A   6  GLY  A   6  .  ?        ?  
 77   6  1  A   7  PRO  A   7  .  ?        ?  
 78   6  1  A   8  ASN  A   8  .  ?        1  
 79   6  1  A   9  PRO  A   9  .  ?        ?  
 80   6  1  A  10  LEU  A  10  .  ?        ?  
 81   6  1  A  11  HIS  A  11  .  ?        ?  
 82   6  1  A  12  ASN  A  12  .  ?        ?  
 83   6  1  A  13  LYS  A  13  .  ?        ?  
 84   6  1  A  14  LYS  A  14  .  ?        ?  
 85   7  1  A   1  HIS  A   1  .  ?        ?  
 86   7  1  A   2  GLN  A   2  .  ?        ?  
 87   7  1  A   3  VAL  A   3  .  ?        2  
 88   7  1  A   4  PRO  A   4  .  ?        1  
 89   7  1  A   5  SER  A   5  .  ?        ?  
 90   7  1  A   6  GLY  A   6  .  ?        ?  
 91   7  1  A   7  PRO  A   7  .  ?        ?  
 92   7  1  A   8  ASN  A   8  .  ?        ?  
 93   7  1  A   9  PRO  A   9  .  ?        ?  
 94   7  1  A  10  LEU  A  10  .  ?        1  
 95   7  1  A  11  HIS  A  11  .  ?        ?  
 96   7  1  A  12  ASN  A  12  .  ?        ?  
 97   7  1  A  13  LYS  A  13  .  ?        ?  
 98   7  1  A  14  LYS  A  14  .  ?        ?  
 99   8  1  A   1  HIS  A   1  .  ?        ?  
100   8  1  A   2  GLN  A   2  .  ?        ?  
101   8  1  A   3  VAL  A   3  .  ?        ?  
102   8  1  A   4  PRO  A   4  .  ?        1  
103   8  1  A   5  SER  A   5  .  ?        ?  
104   8  1  A   6  GLY  A   6  .  ?        ?  
105   8  1  A   7  PRO  A   7  .  ?        ?  
106   8  1  A   8  ASN  A   8  .  ?        1  
107   8  1  A   9  PRO  A   9  .  ?        ?  
108   8  1  A  10  LEU  A  10  .  ?        ?  
109   8  1  A  11  HIS  A  11  .  ?        ?  
110   8  1  A  12  ASN  A  12  .  ?        ?  
111   8  1  A  13  LYS  A  13  .  ?        ?  
112   8  1  A  14  LYS  A  14  .  ?        ?  
113   9  1  A   1  HIS  A   1  .  ?        ?  
114   9  1  A   2  GLN  A   2  .  ?        ?  
115   9  1  A   3  VAL  A   3  .  ?        ?  
116   9  1  A   4  PRO  A   4  .  ?        ?  
117   9  1  A   5  SER  A   5  .  ?        ?  
118   9  1  A   6  GLY  A   6  .  ?        ?  
119   9  1  A   7  PRO  A   7  .  ?        1  
120   9  1  A   8  ASN  A   8  .  ?        1  
121   9  1  A   9  PRO  A   9  .  ?        ?  
122   9  1  A  10  LEU  A  10  .  ?        ?  
123   9  1  A  11  HIS  A  11  .  ?        ?  
124   9  1  A  12  ASN  A  12  .  ?        ?  
125   9  1  A  13  LYS  A  13  .  ?        ?  
126   9  1  A  14  LYS  A  14  .  ?        ?  
127  10  1  A   1  HIS  A   1  .  ?        ?  
128  10  1  A   2  GLN  A   2  .  ?        ?  
129  10  1  A   3  VAL  A   3  .  ?        ?  
130  10  1  A   4  PRO  A   4  .  ?        1  
131  10  1  A   5  SER  A   5  .  ?        ?  
132  10  1  A   6  GLY  A   6  .  ?        ?  
133  10  1  A   7  PRO  A   7  .  ?        ?  
134  10  1  A   8  ASN  A   8  .  ?        1  
135  10  1  A   9  PRO  A   9  .  ?        ?  
136  10  1  A  10  LEU  A  10  .  ?        ?  
137  10  1  A  11  HIS  A  11  .  ?        ?  
138  10  1  A  12  ASN  A  12  .  ?        ?  
139  10  1  A  13  LYS  A  13  .  ?        ?  
140  10  1  A  14  LYS  A  14  .  ?        ?  
#
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-70          ?       ?  ?         9  11  0.35  15  0.26  molprobity  1  True  
  2    2  mm-40     -75.6   -88.1  OUTLIER   8   9  0.20  12  0.30  molprobity  1  True  
  3    3  t        -124.4    72.4  Favored   9   7  0.23  11  0.51  molprobity  1  True  
  4    4  Cg_exo    -91.9  -176.6  Allowed   7   8  0.66  11  1.21  molprobity  1  True  
  5    5  p        -141.8    34.1  Allowed   5   6  0.25   8  0.62  molprobity  1  True  
  6    6  ?         177.2  -154.8  Favored   3   4  0.36   6  0.75  molprobity  1  True  
  7    7  Cg_endo   -82.8    11.6  Favored   7   8  0.23  11  0.32  molprobity  1  True  
  8    8  p-10     -159.4   135.4  Favored   6   8  0.34  12  0.43  molprobity  1  True  
  9    9  Cg_exo    -60.6   119.3  Favored   7   8  0.44  11  0.56  molprobity  1  True  
 10   10  mm?       -84.0     3.4  Favored  11   8  0.34  11  0.49  molprobity  1  True  
 11   11  t60      -159.8   155.3  Favored   7  11  0.22  15  0.44  molprobity  1  True  
 12   12  m120       68.9    21.6  Favored   6   8  0.25  11  0.55  molprobity  1  True  
 13   13  ttmt       72.0   -78.7  OUTLIER  13   9  0.25  11  0.16  molprobity  1  True  
 14   14  pttp          ?       ?  ?        13   9  0.52   8  0.33  molprobity  1  True  
 15   15  m-70          ?       ?  ?         9  11  0.41  15  0.49  molprobity  1  True  
 16   16  tp60      -69.8   -91.5  OUTLIER   8   9  0.22  12  0.28  molprobity  1  True  
 17   17  t        -140.5    74.0  Favored   9   7  0.30  11  0.57  molprobity  1  True  
 18   18  Cg_endo   -97.0  -169.9  Allowed   7   8  0.60  11  0.67  molprobity  1  True  
 19   19  m        -122.5    29.0  Favored   5   6  0.28   8  0.46  molprobity  1  True  
 20   20  ?         165.0  -114.8  Allowed   3   4  0.39   6  0.82  molprobity  1  True  
 21   21  Cg_exo    -63.1  -134.8  OUTLIER   7   8  0.30  11  0.27  molprobity  1  True  
 22   22  OUTLIER   -55.2   155.4  Favored   6   8  0.51  12  0.65  molprobity  1  True  
 23   23  Cg_exo    -59.7    71.9  OUTLIER   7   8  0.28  11  0.61  molprobity  1  True  
 24   24  tp         51.2    21.6  Allowed  11   8  0.22  11  0.45  molprobity  1  True  
 25   25  t60        50.7    33.3  Favored   7  11  0.25  15  0.27  molprobity  1  True  
 26   26  p30      -113.7    -1.9  Favored   6   8  0.32  11  0.71  molprobity  1  True  
 27   27  mmtt     -159.2   172.4  Favored  13   9  0.23  11  0.38  molprobity  1  True  
 28   28  pttm          ?       ?  ?        13   9  0.52   8  0.49  molprobity  1  True  
 29   29  m-70          ?       ?  ?         9  11  0.38  15  0.36  molprobity  1  True  
 30   30  tp60      -57.3   -82.7  OUTLIER   8   9  0.23  12  0.29  molprobity  1  True  
 31   31  t        -135.4    74.4  Favored   9   7  0.22  11  0.52  molprobity  1  True  
 32   32  Cg_endo   -97.3   176.1  Allowed   7   8  0.66  11  0.65  molprobity  1  True  
 33   33  m        -122.9    42.3  Favored   5   6  0.30   8  0.49  molprobity  1  True  
 34   34  ?         138.8  -143.5  Favored   3   4  0.39   6  0.73  molprobity  1  True  
 35   35  Cg_exo    -63.7   141.1  Favored   7   8  0.23  11  0.67  molprobity  1  True  
 36   36  t30        62.6   143.4  OUTLIER   6   8  0.27  12  0.38  molprobity  1  True  
 37   37  Cg_exo    -69.4    99.2  Allowed   7   8  0.56  11  0.74  molprobity  1  True  
 38   38  mt        -50.2   137.5  Favored  11   8  0.20  11  0.25  molprobity  1  True  
 39   39  p-80      -50.2   145.1  Favored   7  11  0.20  15  0.52  molprobity  1  True  
 40   40  m-20       77.6    -2.7  Favored   6   8  0.29  11  0.40  molprobity  1  True  
 41   41  mttp     -143.4    45.1  Allowed  13   9  0.22  11  0.29  molprobity  1  True  
 42   42  OUTLIER       ?       ?  ?        13   9  0.52   8  0.43  molprobity  1  True  
 43   43  m-70          ?       ?  ?         9  11  0.36  15  0.34  molprobity  1  True  
 44   44  tt0       -64.7   -83.2  OUTLIER   8   9  0.21  12  0.26  molprobity  1  True  
 45   45  m        -127.0    68.9  Favored   9   7  0.14  11  0.49  molprobity  1  True  
 46   46  Cg_exo    -84.5   170.4  Favored   7   8  0.55  11  0.91  molprobity  1  True  
 47   47  t        -139.0    36.9  Favored   5   6  0.34   8  0.67  molprobity  1  True  
 48   48  ?         164.8  -160.7  Favored   3   4  0.43   6  0.75  molprobity  1  True  
 49   49  Cg_exo    -74.4    17.3  Allowed   7   8  0.35  11  0.44  molprobity  1  True  
 50   50  p-10     -157.3   154.7  Favored   6   8  0.31  12  0.43  molprobity  1  True  
 51   51  Cg_exo    -69.7   135.3  Favored   7   8  0.41  11  0.55  molprobity  1  True  
 52   52  tp        -81.9    54.6  Favored  11   8  0.27  11  0.51  molprobity  1  True  
 53   53  OUTLIER  -160.3   133.4  Favored   7  11  0.31  15  0.38  molprobity  1  True  
 54   54  t30       -66.1   -17.1  Favored   6   8  0.31  11  0.60  molprobity  1  True  
 55   55  mttp      -91.3    75.3  Favored  13   9  0.27  11  0.36  molprobity  1  True  
 56   56  ptpt          ?       ?  ?        13   9  0.52   8  0.38  molprobity  1  True  
 57   57  m-70          ?       ?  ?         9  11  0.44  15  0.66  molprobity  1  True  
 58   58  tt0       -75.5   -91.4  OUTLIER   8   9  0.28  12  0.28  molprobity  1  True  
 59   59  m        -134.0    76.0  Favored   9   7  0.31  11  0.52  molprobity  1  True  
 60   60  Cg_exo    -88.5   177.9  Favored   7   8  0.58  11  1.17  molprobity  1  True  
 61   61  t        -128.4    19.6  Favored   5   6  0.30   8  0.66  molprobity  1  True  
 62   62  ?         177.1  -158.7  Favored   3   4  0.36   6  0.77  molprobity  1  True  
 63   63  Cg_exo    -76.1    37.6  Allowed   7   8  0.31  11  0.42  molprobity  1  True  
 64   64  p-10     -169.5   136.7  Allowed   6   8  0.31  12  0.45  molprobity  1  True  
 65   65  Cg_endo   -67.7   126.8  Favored   7   8  0.33  11  0.38  molprobity  1  True  
 66   66  mt        -56.3   105.1  Allowed  11   8  0.18  11  0.42  molprobity  1  True  
 67   67  m-70       61.7    33.1  Favored   7  11  0.25  15  0.28  molprobity  1  True  
 68   68  t30      -120.3     2.6  Favored   6   8  0.32  11  0.62  molprobity  1  True  
 69   69  mmtp       65.4   -71.8  Allowed  13   9  0.25  11  0.31  molprobity  1  True  
 70   70  tttt          ?       ?  ?        13   9  0.44   8  0.44  molprobity  1  True  
 71   71  m-70          ?       ?  ?         9  11  0.44  15  0.25  molprobity  1  True  
 72   72  mt-30     -91.5   118.1  Favored   8   9  0.24  12  0.44  molprobity  1  True  
 73   73  t          47.3    60.9  Favored   9   7  0.31  11  0.48  molprobity  1  True  
 74   74  Cg_exo    -73.6   158.7  Favored   7   8  0.37  11  0.96  molprobity  1  True  
 75   75  m        -116.2    20.0  Favored   5   6  0.22   8  0.65  molprobity  1  True  
 76   76  ?         170.3  -152.7  Favored   3   4  0.35   6  0.84  molprobity  1  True  
 77   77  Cg_endo   -80.7    45.3  Allowed   7   8  0.19  11  0.29  molprobity  1  True  
 78   78  t-20     -176.0   145.3  Allowed   6   8  0.42  12  0.63  molprobity  1  True  
 79   79  Cg_endo   -62.1    73.3  Allowed   7   8  0.34  11  0.56  molprobity  1  True  
 80   80  mt        -93.1    42.5  Allowed  11   8  0.24  11  0.26  molprobity  1  True  
 81   81  t60      -162.4   -28.6  OUTLIER   7  11  0.28  15  0.30  molprobity  1  True  
 82   82  t-20      -77.0     2.9  Favored   6   8  0.26  11  0.48  molprobity  1  True  
 83   83  mttt       57.7    39.4  Favored  13   9  0.19  11  0.56  molprobity  1  True  
 84   84  OUTLIER       ?       ?  ?        13   9  0.65   8  0.63  molprobity  1  True  
 85   85  m-70          ?       ?  ?         9  11  0.37  15  0.24  molprobity  1  True  
 86   86  mm-40     -85.0   117.5  Favored   8   9  0.22  12  0.52  molprobity  1  True  
 87   87  t          43.8    57.8  Favored   9   7  0.32  11  0.49  molprobity  1  True  
 88   88  Cg_endo   -88.9   153.6  Favored   7   8  0.57  11  0.81  molprobity  1  True  
 89   89  m        -105.8    17.1  Favored   5   6  0.20   8  0.42  molprobity  1  True  
 90   90  ?         174.1  -149.5  Favored   3   4  0.45   6  0.75  molprobity  1  True  
 91   91  Cg_endo   -80.5    35.0  Allowed   7   8  0.20  11  0.25  molprobity  1  True  
 92   92  t-20     -163.6   137.3  Favored   6   8  0.30  12  0.51  molprobity  1  True  
 93   93  Cg_exo    -62.4   122.1  Favored   7   8  0.28  11  0.49  molprobity  1  True  
 94   94  tp        -78.8    99.6  Favored  11   8  0.24  11  0.28  molprobity  1  True  
 95   95  m-70       63.3  -155.1  Allowed   7  11  0.16  15  0.28  molprobity  1  True  
 96   96  t30        71.0     1.4  Favored   6   8  0.40  11  0.29  molprobity  1  True  
 97   97  tttt       59.6    40.2  Favored  13   9  0.20  11  0.61  molprobity  1  True  
 98   98  ptpt          ?       ?  ?        13   9  0.58   8  0.56  molprobity  1  True  
 99   99  m-70          ?       ?  ?         9  11  0.41  15  0.39  molprobity  1  True  
100  100  tp-100    -63.4   -80.6  OUTLIER   8   9  0.19  12  0.37  molprobity  1  True  
101  101  m        -131.9    67.0  Favored   9   7  0.12  11  0.50  molprobity  1  True  
102  102  Cg_endo   -87.1   156.4  Favored   7   8  0.51  11  0.69  molprobity  1  True  
103  103  t        -112.9    16.5  Favored   5   6  0.37   8  0.67  molprobity  1  True  
104  104  ?        -168.7  -164.7  Favored   3   4  0.38   6  0.82  molprobity  1  True  
105  105  Cg_endo   -76.0    37.2  Allowed   7   8  0.16  11  0.31  molprobity  1  True  
106  106  t30      -171.0   133.0  Allowed   6   8  0.32  12  0.48  molprobity  1  True  
107  107  Cg_endo   -54.0   110.6  Allowed   7   8  0.22  11  0.48  molprobity  1  True  
108  108  tp        -76.6   100.2  Favored  11   8  0.23  11  0.39  molprobity  1  True  
109  109  m80        72.2   159.6  Allowed   7  11  0.16  15  0.42  molprobity  1  True  
110  110  t-20       72.1    -5.7  Allowed   6   8  0.40  11  0.47  molprobity  1  True  
111  111  mmtp       61.2  -165.1  Allowed  13   9  0.27  11  0.27  molprobity  1  True  
112  112  OUTLIER       ?       ?  ?        13   9  0.59   8  0.56  molprobity  1  True  
113  113  m-70          ?       ?  ?         9  11  0.40  15  0.31  molprobity  1  True  
114  114  mt-30     -78.6   118.2  Favored   8   9  0.19  12  0.56  molprobity  1  True  
115  115  t          39.7    65.4  Favored   9   7  0.33  11  0.51  molprobity  1  True  
116  116  Cg_endo   -95.0   172.3  Allowed   7   8  0.64  11  0.71  molprobity  1  True  
117  117  t        -130.1    29.6  Favored   5   6  0.32   8  0.62  molprobity  1  True  
118  118  ?         155.2  -156.8  Favored   3   4  0.45   6  0.80  molprobity  1  True  
119  119  Cg_endo   -61.9   113.7  Allowed   7   8  0.17  11  0.63  molprobity  1  True  
120  120  t-20       88.3   134.9  OUTLIER   6   8  0.41  12  0.54  molprobity  1  True  
121  121  Cg_endo   -44.7   122.5  Favored   7   8  0.42  11  0.47  molprobity  1  True  
122  122  tp        -71.2   -17.7  Favored  11   8  0.42  11  0.52  molprobity  1  True  
123  123  p-80     -166.9   179.5  Favored   7  11  0.21  15  0.42  molprobity  1  True  
124  124  t30        66.6    24.1  Favored   6   8  0.33  11  0.54  molprobity  1  True  
125  125  mttt       61.1  -167.9  Allowed  13   9  0.27  11  0.20  molprobity  1  True  
126  126  pptp?         ?       ?  ?        13   9  0.53   8  0.44  molprobity  1  True  
127  127  m170          ?       ?  ?         9  11  0.41  15  0.26  molprobity  1  True  
128  128  tt0       -76.2   110.5  Favored   8   9  0.22  12  0.61  molprobity  1  True  
129  129  m          31.6    63.5  Allowed   9   7  0.44  11  0.64  molprobity  1  True  
130  130  Cg_exo    -84.2   -59.5  OUTLIER   7   8  0.43  11  0.76  molprobity  1  True  
131  131  m          63.3    43.3  Favored   5   6  0.29   8  0.60  molprobity  1  True  
132  132  ?         178.4  -170.4  Favored   3   4  0.36   6  0.70  molprobity  1  True  
133  133  Cg_endo   -83.6    12.6  Favored   7   8  0.24  11  0.27  molprobity  1  True  
134  134  p30      -166.5   146.2  Favored   6   8  0.28  12  0.47  molprobity  1  True  
135  135  Cg_endo   -62.8   117.7  Favored   7   8  0.28  11  0.34  molprobity  1  True  
136  136  mm?       -73.5   113.8  Favored  11   8  0.21  11  0.39  molprobity  1  True  
137  137  m-70       69.8   158.9  Allowed   7  11  0.16  15  0.40  molprobity  1  True  
138  138  t-20       70.5    14.3  Favored   6   8  0.36  11  0.52  molprobity  1  True  
139  139  mmtt       61.8  -174.3  Allowed  13   9  0.27  11  0.25  molprobity  1  True  
140  140  OUTLIER       ?       ?  ?        13   9  0.53   8  0.39  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    1  HA    1  0.53  1.79  
 2    1  HA    2  0.48  2.37  
 3    9  HG3   1  0.53  1.79  
 4    9  CG    2  0.48  2.37  
 5   22  O     3  0.42  2.51  
 6   24  HB3   4  0.48  2.23  
 7   24  N     3  0.42  2.51  
 8   26  ND2   4  0.48  2.23  
 9   39  O     5  0.41  2.15  
10   40  HB2   5  0.41  2.15  
11   46  HB3   6  0.47  2.09  
12   50  O     6  0.47  2.09  
13   57  HB2   7  0.46  1.87  
14   57  HB2   8  0.44  2.43  
15   60  HB3   9  0.54  2.03  
16   60  HG3   7  0.46  1.87  
17   60  CG    8  0.44  2.43  
18   64  O     9  0.54  2.03  
19   73  N    10  0.47  2.25  
20   74  HD3  10  0.47  2.25  
21   74  HB3  11  0.44  2.12  
22   78  O    11  0.44  2.12  
23   87  O    12  0.48  2.08  
24   87  N    13  0.45  2.27  
25   88  HD3  13  0.45  2.27  
26   94  HB3  12  0.48  2.08  
27  102  HB3  14  0.45  2.12  
28  106  O    14  0.45  2.12  
29  119  O    15  0.45  2.12  
30  120  HB3  15  0.45  2.12  
31  130  HB3  16  0.50  2.07  
32  134  O    16  0.50  2.07  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        ?     
 2  outlier  ?     
 3  outlier  ?     
 4  outlier  ?     
 5  outlier  ?     
 6  outlier  ?     
 7  1        ?     
 8  1        True  
 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  14
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.890
_pdbx_vrpt_cyrange_domain.medoid_model        8
_pdbx_vrpt_cyrange_domain.medoid_rmsd         1.096
_pdbx_vrpt_cyrange_domain.residue_string      A:1-A:14
#
_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                        assigned_chem_shift_list_1
_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           124
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           124
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            124
_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  HIS   1  0.420  
 2  A  GLN   2  0.414  
 3  A  VAL   3  0.378  
 4  A  PRO   4  0.326  
 5  A  SER   5  0.273  
 6  A  GLY   6  0.203  
 7  A  PRO   7  0.145  
 8  A  ASN   8  0.091  
 9  A  PRO   9  0.095  
10  A  LEU  10  0.145  
11  A  HIS  11  0.254  
12  A  LYS  13  0.401  
13  A  LYS  14  0.399  
#
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  12  
3  CB  0.50  0.00  0.00  10  
4  N   0.50  0.00  0.00   9  
#
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   2    2  stereomethyl  stereomethyl  
 2  123  67  190  overall       Total         
 3   44  21   65  backbone      Total         
 4   71  38  109  sidechain     Total         
 5    8   8   16  aromatic      Total         
 6   75  29  104  overall       H             
 7   23   3   26  backbone      H             
 8   48  22   70  sidechain     H             
 9    4   4    8  aromatic      H             
10   39  27   66  overall       C             
11   12  16   28  backbone      C             
12   23  11   34  sidechain     C             
13    4   0    4  aromatic      C             
14    9  11   20  overall       N             
15    9   2   11  backbone      N             
16    0   5    5  sidechain     N             
17    0   4    4  aromatic      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   2    2  stereomethyl  stereomethyl  
 2  123  67  190  overall       Total         
 3   44  21   65  backbone      Total         
 4   71  38  109  sidechain     Total         
 5    8   8   16  aromatic      Total         
 6   75  29  104  overall       H             
 7   23   3   26  backbone      H             
 8   48  22   70  sidechain     H             
 9    4   4    8  aromatic      H             
10   39  27   66  overall       C             
11   12  16   28  backbone      C             
12   23  11   34  sidechain     C             
13    4   0    4  aromatic      C             
14    9  11   20  overall       N             
15    9   2   11  backbone      N             
16    0   5    5  sidechain     N             
17    0   4    4  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     66  
 2  "Intra-residue (|i-j|=0)"                       48  
 3  "Sequential (|i-j|=1)"                           8  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             1  
 5  "Long range (|i-j|>=5)"                          9  
 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"                  2  
11  "Number of restraints per residue"             4.7  
12  "Number of long range restraints per residue"  0.6  
#
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                 48   72.7  2  3.0   4.2   7  10.6   14.6  
 2  Intra-residue  BackboneBackbone    10   15.2  0  0.0   0.0   0   0.0    0.0  
 3  Intra-residue  BackboneSidechain   23   34.8  0  0.0   0.0   2   3.0    8.7  
 4  Intra-residue  SidechainSidechain  15   22.7  2  3.0  13.3   5   7.6   33.3  
 5  Sequential     all                  8   12.1  1  1.5  12.5   2   3.0   25.0  
 6  Sequential     BackboneBackbone     4    6.1  0  0.0   0.0   1   1.5   25.0  
 7  Sequential     BackboneSidechain    4    6.1  1  1.5  25.0   1   1.5   25.0  
 8  Sequential     SidechainSidechain   0    0.0  0  0.0   0.0   0   0.0    0.0  
 9  MediumRange    all                  1    1.5  0  0.0   0.0   1   1.5  100.0  
10  MediumRange    BackboneBackbone     1    1.5  0  0.0   0.0   1   1.5  100.0  
11  MediumRange    BackboneSidechain    0    0.0  0  0.0   0.0   0   0.0    0.0  
12  MediumRange    SidechainSidechain   0    0.0  0  0.0   0.0   0   0.0    0.0  
13  LongRange      all                  9   13.6  2  3.0  22.2   7  10.6   77.8  
14  LongRange      BackboneBackbone     3    4.5  1  1.5  33.3   2   3.0   66.7  
15  LongRange      BackboneSidechain    3    4.5  0  0.0   0.0   2   3.0   66.7  
16  LongRange      SidechainSidechain   3    4.5  1  1.5  33.3   3   4.5  100.0  
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                 66  100.0  5  7.6   7.6  17  25.8   25.8  
24  Total          BackboneBackbone    18   27.3  1  1.5   5.6   4   6.1   22.2  
25  Total          BackboneSidechain   30   45.5  1  1.5   3.3   5   7.6   16.7  
26  Total          SidechainSidechain  18   27.3  3  4.5  16.7   8  12.1   44.4  
#
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  1.23  0.36  0.23  0.31  
 2   2  1.16  0.38  0.24  0.30  
 3   3  1.22  0.70  0.64  0.28  
 4   4  1.24  0.52  0.37  0.36  
 5   5  1.44  0.52  0.34  0.41  
 6   6  1.05  0.44  0.28  0.28  
 7   7  0.98  0.43  0.31  0.29  
 8   8  1.22  0.52  0.27  0.37  
 9   9  0.90  0.42  0.30  0.27  
10  10  0.99  0.33  0.23  0.27  
#
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   5  
 2   1  sequential     2  
 3   1  medium         1  
 4   1  long           5  
 5   1  interchain     0  
 6   1  total         13  
 7   2  intraresidue   4  
 8   2  sequential     1  
 9   2  medium         1  
10   2  long           5  
11   2  interchain     0  
12   2  total         11  
13   3  intraresidue   5  
14   3  sequential     1  
15   3  medium         0  
16   3  long           4  
17   3  interchain     0  
18   3  total         10  
19   4  intraresidue   3  
20   4  sequential     1  
21   4  medium         1  
22   4  long           4  
23   4  interchain     0  
24   4  total          9  
25   5  intraresidue   4  
26   5  sequential     1  
27   5  medium         1  
28   5  long           7  
29   5  interchain     0  
30   5  total         13  
31   6  intraresidue   3  
32   6  sequential     1  
33   6  medium         1  
34   6  long           3  
35   6  interchain     0  
36   6  total          8  
37   7  intraresidue   2  
38   7  sequential     1  
39   7  medium         0  
40   7  long           3  
41   7  interchain     0  
42   7  total          6  
43   8  intraresidue   5  
44   8  sequential     1  
45   8  medium         0  
46   8  long           3  
47   8  interchain     0  
48   8  total          9  
49   9  intraresidue   2  
50   9  sequential     2  
51   9  medium         0  
52   9  long           3  
53   9  interchain     0  
54   9  total          7  
55  10  intraresidue   3  
56  10  sequential     1  
57  10  medium         0  
58  10  long           5  
59  10  interchain     0  
60  10  total          9  
#
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  2  
 2   1  sequential    0  
 3   1  medium        0  
 4   1  long          1  
 5   1  interchain    0  
 6   1  total         3  
 7   2  intraresidue  0  
 8   2  sequential    1  
 9   2  medium        0  
10   2  long          0  
11   2  interchain    0  
12   2  total         1  
13   3  intraresidue  1  
14   3  sequential    0  
15   3  medium        0  
16   3  long          1  
17   3  interchain    0  
18   3  total         2  
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  1  
26   5  sequential    0  
27   5  medium        1  
28   5  long          1  
29   5  interchain    0  
30   5  total         3  
31   6  intraresidue  1  
32   6  sequential    0  
33   6  medium        0  
34   6  long          1  
35   6  interchain    0  
36   6  total         2  
37   7  intraresidue  0  
38   7  sequential    0  
39   7  medium        0  
40   7  long          1  
41   7  interchain    0  
42   7  total         1  
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  2  
56  10  sequential    1  
57  10  medium        0  
58  10  long          2  
59  10  interchain    0  
60  10  total         5  
#
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  2.7  
2  0.2-0.5  0.5  3.2  
3  >0.5     1.4  3.6  
#
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  49  1  .  A   6  GLY  ?     1  A   6  HA2  A  .   7  PRO   7  A  1  ?     HD2  10  0.67  0.65  0.29  
 2  23  1  .  A   1  HIS  ?     1  A   1  HE1  A  .   8  ASN   8  A  1  ?     HB3  10  0.53  0.43  0.40  
 3  19  1  .  A  13  LYS  ?     1  A  13  HD2  A  .  13  LYS  13  A  1  ?     HG2  10  0.45  0.46  0.16  
 4  19  1  .  A  14  LYS  ?     1  A  14  HD2  A  .  14  LYS  14  A  1  ?     HG2  10  0.45  0.46  0.16  
 5   2  1  .  A   8  ASN  ?     1  A   8  H    A  .  10  LEU  10  A  1  ?     HA   10  0.36  0.30  0.17  
 6  47  1  .  A   7  PRO  ?     1  A   7  HD2  A  .   7  PRO   7  A  1  ?     HG3  10  0.30  0.23  0.13  
 7  58  1  .  A  10  LEU  ?     1  A  10  H    A  .   4  PRO   4  A  1  ?     HG3   7  0.17  0.16  0.06  
 8  56  1  .  A   2  GLN  ?     1  A   2  HB2  A  .   9  PRO   9  A  1  ?     HB3   6  0.64  0.66  0.24  
 9  38  1  .  A  10  LEU  ?     1  A  10  H    A  .  10  LEU  10  A  1  ?     HB3   6  0.62  0.62  0.05  
10  53  1  .  A  13  LYS  ?     1  A  13  HE2  A  .  13  LYS  13  A  1  ?     HG2   5  1.22  1.22  0.01  
11  28  1  .  A  13  LYS  ?     1  A  13  H    A  .  11  HIS  11  A  1  ?     HA    5  0.21  0.16  0.09  
12  22  1  .  A   1  HIS  ?     1  A   1  HE1  A  .   7  PRO   7  A  1  ?     HA    5  0.15  0.13  0.03  
13  50  1  .  A   9  PRO  ?     1  A   9  HD2  A  .  14  LYS  14  A  1  ?     HB3   3  0.86  0.96  0.52  
14  55  1  .  A   2  GLN  ?     1  A   2  HB2  A  .   2  GLN   2  A  1  ?     HG3   3  0.17  0.17  0.00  
15  30  1  .  A  11  HIS  ?     1  A  11  H    A  .  10  LEU  10  A  1  ?     HA    2  0.22  0.22  0.08  
#
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  50  1   65   70  HD2  HB3  1.44  
  2  53  1   55   55  HE2  HG2  1.24  
  3  53  1   13   13  HE2  HG2  1.23  
  4  53  1   41   41  HE2  HG2  1.22  
  5  53  1  111  111  HE2  HG2  1.22  
  6  53  1   69   69  HE2  HG2  1.21  
  7  49  1   20   21  HA2  HD2  1.16  
  8  23  1   71   78  HE1  HB3  1.05  
  9  23  1   99  106  HE1  HB3  1.00  
 10  56  1  128  135  HB2  HB3  0.99  
 11  23  1   85   92  HE1  HB3  0.98  
 12  50  1   37   42  HD2  HB3  0.96  
 13  49  1   34   35  HA2  HD2  0.95  
 14  49  1   62   63  HA2  HD2  0.91  
 15  23  1  113  120  HE1  HB3  0.90  
 16  49  1   48   49  HA2  HD2  0.87  
 17  56  1   44   51  HB2  HB3  0.83  
 18  56  1  100  107  HB2  HB3  0.75  
 19   2  1   36   38  H    HA   0.74  
 20  38  1   10   10  H    HB3  0.67  
 21  23  1   29   36  HE1  HB3  0.67  
 22  49  1    6    7  HA2  HD2  0.65  
 23  38  1   80   80  H    HB3  0.65  
 24  49  1   90   91  HA2  HD2  0.64  
 25  38  1   24   24  H    HB3  0.62  
 26  38  1   38   38  H    HB3  0.62  
 27  38  1   66   66  H    HB3  0.62  
 28   2  1  120  122  H    HA   0.61  
 29  19  1   27   27  HD2  HG2  0.61  
 30  19  1   28   28  HD2  HG2  0.61  
 31  19  1   41   41  HD2  HG2  0.61  
 32  19  1   42   42  HD2  HG2  0.61  
 33  19  1   69   69  HD2  HG2  0.61  
 34  19  1   70   70  HD2  HG2  0.61  
 35  19  1  111  111  HD2  HG2  0.61  
 36  19  1  112  112  HD2  HG2  0.61  
 37  19  1  125  125  HD2  HG2  0.61  
 38  19  1  126  126  HD2  HG2  0.61  
 39  56  1   30   37  HB2  HB3  0.57  
 40  49  1   76   77  HA2  HD2  0.56  
 41  38  1  136  136  H    HB3  0.51  
 42  47  1   21   21  HD2  HG3  0.46  
 43  47  1   63   63  HD2  HG3  0.46  
 44  47  1   35   35  HD2  HG3  0.45  
 45  47  1   49   49  HD2  HG3  0.45  
 46  49  1  132  133  HA2  HD2  0.42  
 47  56  1   16   23  HB2  HB3  0.38  
 48   2  1    8   10  H    HA   0.38  
 49  28  1   55   53  H    HA   0.37  
 50  56  1   58   65  HB2  HB3  0.34  
 51   2  1   92   94  H    HA   0.32  
 52   2  1   50   52  H    HA   0.31  
 53  19  1  139  139  HD2  HG2  0.31  
 54  19  1  140  140  HD2  HG2  0.31  
 55  30  1  123  122  H    HA   0.30  
 56   2  1   64   66  H    HA   0.30  
 57  19  1   55   55  HD2  HG2  0.30  
 58  19  1   56   56  HD2  HG2  0.30  
 59  19  1   97   97  HD2  HG2  0.30  
 60  19  1   98   98  HD2  HG2  0.30  
 61  19  1   13   13  HD2  HG2  0.29  
 62  19  1   14   14  HD2  HG2  0.29  
 63  19  1   83   83  HD2  HG2  0.29  
 64  19  1   84   84  HD2  HG2  0.29  
 65  49  1  104  105  HA2  HD2  0.27  
 66   2  1  106  108  H    HA   0.27  
 67  58  1   10    4  H    HG3  0.26  
 68  58  1   80   74  H    HG3  0.26  
 69  20  1  111  111  HB3  HG2  0.25  
 70  20  1  112  112  HB3  HG2  0.25  
 71   2  1   78   80  H    HA   0.25  
 72   2  1   22   24  H    HA   0.24  
 73  49  1  118  119  HA2  HD2  0.23  
 74  47  1    7    7  HD2  HG3  0.23  
 75  47  1  133  133  HD2  HG3  0.23  
 76  47  1   77   77  HD2  HG3  0.22  
 77  47  1   91   91  HD2  HG3  0.22  
 78  28  1   83   81  H    HA   0.22  
 79  22  1   15   21  HE1  HA   0.22  
 80  23  1   57   64  HE1  HB3  0.19  
 81  47  1  105  105  HD2  HG3  0.18  
 82  55  1   16   16  HB2  HG3  0.17  
 83  55  1   30   30  HB2  HG3  0.17  
 84  55  1  100  100  HB2  HG3  0.17  
 85  50  1    9   14  HD2  HB3  0.17  
 86  62  1    2    2  HA   HG3  0.16  
 87  58  1   66   60  H    HG3  0.16  
 88  58  1  136  130  H    HG3  0.16  
 89  41  1   70   58  HA   H    0.16  
 90  28  1   69   67  H    HA   0.16  
 91  23  1    1    8  HE1  HB3  0.16  
 92  23  1   43   50  HE1  HB3  0.16  
 93  22  1   57   63  HE1  HA   0.16  
 94  28  1   13   11  H    HA   0.15  
 95   2  1  134  136  H    HA   0.15  
 96  47  1  119  119  HD2  HG3  0.14  
 97  30  1   11   10  H    HA   0.14  
 98  28  1   27   25  H    HA   0.14  
 99  58  1   52   46  H    HG3  0.13  
100  22  1    1    7  HE1  HA   0.13  
101  22  1  113  119  HE1  HA   0.13  
102  22  1  127  133  HE1  HA   0.13  
103  58  1   94   88  H    HG3  0.12  
104  23  1   15   22  HE1  HB3  0.12  
105  58  1   24   18  H    HG3  0.11  
106  23  1  127  134  HE1  HB3  0.11  
#
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  
##
