data_1IIJ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1IIJ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1IIJ
_pdbx_vrpt_summary.PDB_deposition_date         2001-04-23
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2022-02-23
_pdbx_vrpt_summary.report_creation_date        2022-02-14:04:45
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshifts,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  "ERBB-2 RECEPTOR PROTEIN-TYROSINE KINASE"
#
_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   99.94  158937  ?     ?     
2  2  1  100.00   12864  ?     ?     
3  1  2   18.25  154571  ?     ?     
4  2  2   65.71   11451  ?     ?     
5  1  3   36.39  154315  ?     ?     
6  2  3   84.36   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    4.13  
 2  4  2  A  1  1  A    4.13  
 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  100.00  
 6  4  2  A  2  1  A  100.00  
 7  5  3  A  2  1  A   38.61  
 8  6  3  A  2  1  A   38.61  
 9  3  2  A  3  1  A    1.27  
10  4  2  A  3  1  A    1.27  
11  5  3  A  3  1  A   38.61  
12  6  3  A  3  1  A   38.61  
13  3  2  A  4  1  A    4.13  
14  4  2  A  4  1  A    4.13  
15  5  3  A  4  1  A    7.83  
16  6  3  A  4  1  A    7.83  
17  3  2  A  5  1  A    4.13  
18  4  2  A  5  1  A    4.13  
19  5  3  A  5  1  A   16.76  
20  6  3  A  5  1  A   16.76  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  1.71  1.52  277  374  
2  2  1  A  A  1.73  1.51  277  374  
3  3  1  A  A  1.71  1.50  277  374  
4  4  1  A  A  1.71  1.51  277  374  
5  5  1  A  A  1.70  1.51  277  374  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              1.11
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  3.03
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   3.75
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       4.52
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.00
_pdbx_vrpt_summary_geometry.num_H_reduce                               1615
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1385
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 1.51
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            1870
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.71
#
_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  5
_pdbx_vrpt_summary_nmr.medoid_model                   5
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers    2
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models      5
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters    1
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains      1
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_bond_outliers
_pdbx_vrpt_model_instance.count_angle_outliers
  1  1  1  A   1  GLU  A   1  .  ?        1     ?  
  2  1  1  A   2  GLN  A   2  .  ?        ?     ?  
  3  1  1  A   3  ARG  A   3  .  ?        ?     2  
  4  1  1  A   4  ALA  A   4  .  ?        ?     ?  
  5  1  1  A   5  SER  A   5  .  ?        ?     ?  
  6  1  1  A   6  PRO  A   6  .  ?        ?     ?  
  7  1  1  A   7  VAL  A   7  .  ?        ?     ?  
  8  1  1  A   8  THR  A   8  .  ?        ?     ?  
  9  1  1  A   9  PHE  A   9  .  ?        ?     ?  
 10  1  1  A  10  ILE  A  10  .  ?        ?     ?  
 11  1  1  A  11  ILE  A  11  .  ?        ?     ?  
 12  1  1  A  12  ALA  A  12  .  ?        ?     ?  
 13  1  1  A  13  THR  A  13  .  ?        ?     ?  
 14  1  1  A  14  VAL  A  14  .  ?        ?     ?  
 15  1  1  A  15  VAL  A  15  .  ?        ?     ?  
 16  1  1  A  16  GLY  A  16  .  ?        ?     ?  
 17  1  1  A  17  VAL  A  17  .  ?        ?     ?  
 18  1  1  A  18  LEU  A  18  .  ?        ?     ?  
 19  1  1  A  19  LEU  A  19  .  ?        ?     ?  
 20  1  1  A  20  PHE  A  20  .  ?        ?     ?  
 21  1  1  A  21  LEU  A  21  .  ?        ?     ?  
 22  1  1  A  22  ILE  A  22  .  ?        ?     ?  
 23  1  1  A  23  LEU  A  23  .  ?        ?     ?  
 24  1  1  A  24  VAL  A  24  .  ?        ?     ?  
 25  1  1  A  25  VAL  A  25  .  ?        ?     ?  
 26  1  1  A  26  VAL  A  26  .  ?        ?     ?  
 27  1  1  A  27  VAL  A  27  .  ?        ?     ?  
 28  1  1  A  28  GLY  A  28  .  ?        ?     ?  
 29  1  1  A  29  ILE  A  29  .  ?        ?     ?  
 30  1  1  A  30  LEU  A  30  .  ?        ?     ?  
 31  1  1  A  31  ILE  A  31  .  ?        ?     ?  
 32  1  1  A  32  LYS  A  32  .  ?        ?     ?  
 33  1  1  A  33  ARG  A  33  .  ?        ?     2  
 34  1  1  A  34  ARG  A  34  .  ?        ?     2  
 35  1  1  A  35  ARG  A  35  .  ?        1     2  
 36  2  1  A   1  GLU  A   1  .  ?        1     ?  
 37  2  1  A   2  GLN  A   2  .  ?        ?     ?  
 38  2  1  A   3  ARG  A   3  .  ?        ?     2  
 39  2  1  A   4  ALA  A   4  .  ?        ?     ?  
 40  2  1  A   5  SER  A   5  .  ?        ?     ?  
 41  2  1  A   6  PRO  A   6  .  ?        ?     ?  
 42  2  1  A   7  VAL  A   7  .  ?        ?     ?  
 43  2  1  A   8  THR  A   8  .  ?        ?     ?  
 44  2  1  A   9  PHE  A   9  .  ?        ?     ?  
 45  2  1  A  10  ILE  A  10  .  ?        ?     ?  
 46  2  1  A  11  ILE  A  11  .  ?        ?     ?  
 47  2  1  A  12  ALA  A  12  .  ?        ?     ?  
 48  2  1  A  13  THR  A  13  .  ?        ?     ?  
 49  2  1  A  14  VAL  A  14  .  ?        ?     ?  
 50  2  1  A  15  VAL  A  15  .  ?        ?     ?  
 51  2  1  A  16  GLY  A  16  .  ?        ?     ?  
 52  2  1  A  17  VAL  A  17  .  ?        ?     ?  
 53  2  1  A  18  LEU  A  18  .  ?        ?     ?  
 54  2  1  A  19  LEU  A  19  .  ?        ?     ?  
 55  2  1  A  20  PHE  A  20  .  ?        ?     ?  
 56  2  1  A  21  LEU  A  21  .  ?        ?     ?  
 57  2  1  A  22  ILE  A  22  .  ?        ?     ?  
 58  2  1  A  23  LEU  A  23  .  ?        ?     ?  
 59  2  1  A  24  VAL  A  24  .  ?        ?     ?  
 60  2  1  A  25  VAL  A  25  .  ?        ?     ?  
 61  2  1  A  26  VAL  A  26  .  ?        ?     ?  
 62  2  1  A  27  VAL  A  27  .  ?        ?     ?  
 63  2  1  A  28  GLY  A  28  .  ?        ?     ?  
 64  2  1  A  29  ILE  A  29  .  ?        ?     ?  
 65  2  1  A  30  LEU  A  30  .  ?        ?     ?  
 66  2  1  A  31  ILE  A  31  .  ?        ?     ?  
 67  2  1  A  32  LYS  A  32  .  ?        ?     ?  
 68  2  1  A  33  ARG  A  33  .  ?        ?     2  
 69  2  1  A  34  ARG  A  34  .  ?        ?     2  
 70  2  1  A  35  ARG  A  35  .  ?        1     2  
 71  3  1  A   1  GLU  A   1  .  ?        1     ?  
 72  3  1  A   2  GLN  A   2  .  ?        ?     ?  
 73  3  1  A   3  ARG  A   3  .  ?        ?     2  
 74  3  1  A   4  ALA  A   4  .  ?        ?     ?  
 75  3  1  A   5  SER  A   5  .  ?        ?     ?  
 76  3  1  A   6  PRO  A   6  .  ?        ?     ?  
 77  3  1  A   7  VAL  A   7  .  ?        ?     ?  
 78  3  1  A   8  THR  A   8  .  ?        ?     ?  
 79  3  1  A   9  PHE  A   9  .  ?        ?     ?  
 80  3  1  A  10  ILE  A  10  .  ?        ?     ?  
 81  3  1  A  11  ILE  A  11  .  ?        ?     ?  
 82  3  1  A  12  ALA  A  12  .  ?        ?     ?  
 83  3  1  A  13  THR  A  13  .  ?        ?     ?  
 84  3  1  A  14  VAL  A  14  .  ?        ?     ?  
 85  3  1  A  15  VAL  A  15  .  ?        ?     ?  
 86  3  1  A  16  GLY  A  16  .  ?        ?     ?  
 87  3  1  A  17  VAL  A  17  .  ?        ?     ?  
 88  3  1  A  18  LEU  A  18  .  ?        ?     ?  
 89  3  1  A  19  LEU  A  19  .  ?        ?     ?  
 90  3  1  A  20  PHE  A  20  .  ?        ?     ?  
 91  3  1  A  21  LEU  A  21  .  ?        ?     ?  
 92  3  1  A  22  ILE  A  22  .  ?        ?     ?  
 93  3  1  A  23  LEU  A  23  .  ?        ?     ?  
 94  3  1  A  24  VAL  A  24  .  ?        ?     ?  
 95  3  1  A  25  VAL  A  25  .  ?        ?     ?  
 96  3  1  A  26  VAL  A  26  .  ?        ?     ?  
 97  3  1  A  27  VAL  A  27  .  ?        ?     ?  
 98  3  1  A  28  GLY  A  28  .  ?        ?     ?  
 99  3  1  A  29  ILE  A  29  .  ?        ?     ?  
100  3  1  A  30  LEU  A  30  .  ?        ?     ?  
101  3  1  A  31  ILE  A  31  .  ?        ?     ?  
102  3  1  A  32  LYS  A  32  .  ?        ?     ?  
103  3  1  A  33  ARG  A  33  .  ?        ?     2  
104  3  1  A  34  ARG  A  34  .  ?        ?     2  
105  3  1  A  35  ARG  A  35  .  ?        1     2  
106  4  1  A   1  GLU  A   1  .  ?        1     ?  
107  4  1  A   2  GLN  A   2  .  ?        ?     ?  
108  4  1  A   3  ARG  A   3  .  ?        ?     2  
109  4  1  A   4  ALA  A   4  .  ?        ?     ?  
110  4  1  A   5  SER  A   5  .  ?        ?     ?  
111  4  1  A   6  PRO  A   6  .  ?        ?     ?  
112  4  1  A   7  VAL  A   7  .  ?        ?     ?  
113  4  1  A   8  THR  A   8  .  ?        ?     ?  
114  4  1  A   9  PHE  A   9  .  ?        ?     ?  
115  4  1  A  10  ILE  A  10  .  ?        ?     ?  
116  4  1  A  11  ILE  A  11  .  ?        ?     ?  
117  4  1  A  12  ALA  A  12  .  ?        ?     ?  
118  4  1  A  13  THR  A  13  .  ?        ?     ?  
119  4  1  A  14  VAL  A  14  .  ?        ?     ?  
120  4  1  A  15  VAL  A  15  .  ?        ?     ?  
121  4  1  A  16  GLY  A  16  .  ?        ?     ?  
122  4  1  A  17  VAL  A  17  .  ?        ?     ?  
123  4  1  A  18  LEU  A  18  .  ?        ?     ?  
124  4  1  A  19  LEU  A  19  .  ?        ?     ?  
125  4  1  A  20  PHE  A  20  .  ?        ?     ?  
126  4  1  A  21  LEU  A  21  .  ?        ?     ?  
127  4  1  A  22  ILE  A  22  .  ?        ?     ?  
128  4  1  A  23  LEU  A  23  .  ?        ?     ?  
129  4  1  A  24  VAL  A  24  .  ?        ?     ?  
130  4  1  A  25  VAL  A  25  .  ?        ?     ?  
131  4  1  A  26  VAL  A  26  .  ?        ?     ?  
132  4  1  A  27  VAL  A  27  .  ?        ?     ?  
133  4  1  A  28  GLY  A  28  .  ?        ?     ?  
134  4  1  A  29  ILE  A  29  .  ?        ?     ?  
135  4  1  A  30  LEU  A  30  .  ?        ?     ?  
136  4  1  A  31  ILE  A  31  .  ?        ?     ?  
137  4  1  A  32  LYS  A  32  .  ?        ?     ?  
138  4  1  A  33  ARG  A  33  .  ?        ?     2  
139  4  1  A  34  ARG  A  34  .  ?        ?     2  
140  4  1  A  35  ARG  A  35  .  ?        1     2  
141  5  1  A   1  GLU  A   1  .  ?        1     ?  
142  5  1  A   2  GLN  A   2  .  ?        ?     ?  
143  5  1  A   3  ARG  A   3  .  ?        ?     2  
144  5  1  A   4  ALA  A   4  .  ?        ?     ?  
145  5  1  A   5  SER  A   5  .  ?        ?     ?  
146  5  1  A   6  PRO  A   6  .  ?        ?     ?  
147  5  1  A   7  VAL  A   7  .  ?        ?     ?  
148  5  1  A   8  THR  A   8  .  ?        ?     ?  
149  5  1  A   9  PHE  A   9  .  ?        ?     ?  
150  5  1  A  10  ILE  A  10  .  ?        ?     ?  
151  5  1  A  11  ILE  A  11  .  ?        ?     ?  
152  5  1  A  12  ALA  A  12  .  ?        ?     ?  
153  5  1  A  13  THR  A  13  .  ?        ?     ?  
154  5  1  A  14  VAL  A  14  .  ?        ?     ?  
155  5  1  A  15  VAL  A  15  .  ?        ?     ?  
156  5  1  A  16  GLY  A  16  .  ?        ?     ?  
157  5  1  A  17  VAL  A  17  .  ?        ?     ?  
158  5  1  A  18  LEU  A  18  .  ?        ?     ?  
159  5  1  A  19  LEU  A  19  .  ?        ?     ?  
160  5  1  A  20  PHE  A  20  .  ?        ?     ?  
161  5  1  A  21  LEU  A  21  .  ?        ?     ?  
162  5  1  A  22  ILE  A  22  .  ?        ?     ?  
163  5  1  A  23  LEU  A  23  .  ?        ?     ?  
164  5  1  A  24  VAL  A  24  .  ?        ?     ?  
165  5  1  A  25  VAL  A  25  .  ?        ?     ?  
166  5  1  A  26  VAL  A  26  .  ?        ?     ?  
167  5  1  A  27  VAL  A  27  .  ?        ?     ?  
168  5  1  A  28  GLY  A  28  .  ?        ?     ?  
169  5  1  A  29  ILE  A  29  .  ?        ?     ?  
170  5  1  A  30  LEU  A  30  .  ?        ?     ?  
171  5  1  A  31  ILE  A  31  .  ?        ?     ?  
172  5  1  A  32  LYS  A  32  .  ?        ?     ?  
173  5  1  A  33  ARG  A  33  .  ?        ?     2  
174  5  1  A  34  ARG  A  34  .  ?        ?     2  
175  5  1  A  35  ARG  A  35  .  ?        1     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  pt-20         ?      ?  ?         8   9  3.53  12  1.66  molprobity     ?  False  
  2    2  mp0       -62.0  -50.5  Favored   8   9  1.18  12  1.20  molprobity     ?  False  
  3    3  tpp85     -79.4  -40.0  Favored  13  11  1.59  14  3.04  molprobity     ?  False  
  4    4  ?         -61.2  -40.0  Favored   5   5  1.16   7  1.80  molprobity     ?  False  
  5    5  t         -61.3  -56.5  Favored   5   6  1.55   9  1.82  molprobity     1  True   
  6    6  Cg_endo   -60.9  -37.1  Favored   7   8  1.05  11  0.94  molprobity     1  True   
  7    7  t         -60.9  -45.0  Favored   9   7  1.45  10  1.65  molprobity     1  True   
  8    8  m         -58.3  -44.6  Favored   7   7  1.26  10  1.17  molprobity     1  True   
  9    9  t80       -56.6  -43.9  Favored   9  12  1.18  16  1.03  molprobity     1  True   
 10   10  mt        -60.4  -47.3  Favored  11   8  1.34  11  1.07  molprobity     1  True   
 11   11  mt        -56.1  -52.9  Favored  11   8  1.34  11  1.03  molprobity     1  True   
 12   12  ?         -56.4  -40.3  Favored   5   5  1.21   7  1.76  molprobity     1  True   
 13   13  m         -63.3  -50.4  Favored   7   7  1.16  10  1.23  molprobity     1  True   
 14   14  p         -60.9  -43.0  Favored   9   7  1.30  10  1.62  molprobity     1  True   
 15   15  m         -64.9  -42.0  Favored   9   7  1.41  10  1.59  molprobity     1  True   
 16   16  ?         -58.5  -47.0  Favored   3   4  1.79   5  1.05  molprobity     1  True   
 17   17  t         -60.6  -46.7  Favored   9   7  1.45  10  1.67  molprobity     1  True   
 18   18  tp        -56.9  -48.0  Favored  11   8  1.14  11  1.20  molprobity     1  True   
 19   19  mt        -59.0  -42.3  Favored  11   8  1.12  11  0.95  molprobity     1  True   
 20   20  t80       -60.2  -50.6  Favored   9  12  1.16  16  0.99  molprobity     1  True   
 21   21  pp        -62.6  -37.9  Favored  11   8  1.14  11  1.35  molprobity     1  True   
 22   22  mt        -72.8  -60.6  Favored  11   8  1.28  11  0.92  molprobity     1  True   
 23   23  mt        -78.9  -44.2  Favored  11   8  1.07  11  0.92  molprobity     ?  False  
 24   24  t         -82.8  -54.8  Favored   9   7  1.35  10  1.51  molprobity     ?  False  
 25   25  t         -72.9  -56.7  Favored   9   7  1.35  10  1.60  molprobity     ?  False  
 26   26  t         -71.8  -67.4  Allowed   9   7  1.38  10  1.72  molprobity     ?  False  
 27   27  m         -85.1   58.4  Allowed   9   7  1.44  10  1.56  molprobity     ?  False  
 28   28  ?        -172.1  -78.8  OUTLIER   3   4  1.31   5  0.41  molprobity     ?  False  
 29   29  mp        -68.5  -53.4  Favored  11   8  1.35  11  1.36  molprobity     ?  False  
 30   30  tp        -67.6  -40.0  Favored  11   8  1.10  11  1.25  molprobity     ?  False  
 31   31  mm        -58.9  -39.2  Favored  11   8  1.39  11  1.45  molprobity     ?  False  
 32   32  tptt      -59.3  -42.1  Favored  13   9  1.15  11  1.40  molprobity     ?  False  
 33   33  ttm-85    -59.8  -45.1  Favored  13  11  1.61  14  2.99  molprobity     ?  False  
 34   34  mtm180    -83.4   68.5  Favored  13  11  1.58  14  2.88  molprobity     ?  False  
 35   35  ptt-85        ?      ?  ?        13  11  2.65  11  3.58  molprobity     ?  False  
 36   36  tt0           ?      ?  ?         8   9  3.50  12  1.49  molprobity     ?  False  
 37   37  tm0?      -64.1  -47.6  Favored   8   9  1.18  12  1.39  molprobity     ?  False  
 38   38  ttt-85    -80.6   76.4  Favored  13  11  1.54  14  3.17  molprobity     ?  False  
 39   39  ?         -71.5  -59.4  Favored   5   5  1.11   7  1.88  molprobity     ?  False  
 40   40  t         -62.6  -57.2  Favored   5   6  1.51   9  1.86  molprobity     1  True   
 41   41  Cg_endo   -68.0  -32.7  Favored   7   8  1.02  11  1.09  molprobity     1  True   
 42   42  t         -64.3  -43.6  Favored   9   7  1.44  10  1.63  molprobity     1  True   
 43   43  m         -57.0  -44.0  Favored   7   7  1.28  10  1.16  molprobity     1  True   
 44   44  t80       -57.7  -43.7  Favored   9  12  1.17  16  1.03  molprobity     1  True   
 45   45  mt        -59.9  -47.0  Favored  11   8  1.35  11  1.08  molprobity     1  True   
 46   46  mt        -56.1  -53.2  Favored  11   8  1.34  11  1.02  molprobity     1  True   
 47   47  ?         -56.3  -40.0  Favored   5   5  1.22   7  1.77  molprobity     1  True   
 48   48  m         -63.5  -50.2  Favored   7   7  1.16  10  1.22  molprobity     1  True   
 49   49  p         -60.9  -43.5  Favored   9   7  1.30  10  1.62  molprobity     1  True   
 50   50  m         -64.6  -42.1  Favored   9   7  1.42  10  1.60  molprobity     1  True   
 51   51  ?         -57.3  -47.3  Favored   3   4  1.74   5  1.07  molprobity     1  True   
 52   52  t         -60.7  -48.1  Favored   9   7  1.45  10  1.64  molprobity     1  True   
 53   53  tp        -54.0  -47.4  Favored  11   8  1.16  11  1.18  molprobity     1  True   
 54   54  mt        -60.8  -41.9  Favored  11   8  1.14  11  0.96  molprobity     1  True   
 55   55  t80       -62.6  -55.1  Favored   9  12  1.13  16  1.08  molprobity     1  True   
 56   56  OUTLIER   -64.3  -40.6  Favored  11   8  1.15  11  1.42  molprobity     1  True   
 57   57  mt        -73.6  -60.6  Favored  11   8  1.26  11  0.98  molprobity     1  True   
 58   58  mt        -77.4  -47.9  Favored  11   8  1.08  11  0.91  molprobity     ?  False  
 59   59  t         -77.5  -56.3  Favored   9   7  1.34  10  1.57  molprobity     ?  False  
 60   60  t         -75.9  -54.5  Favored   9   7  1.41  10  1.60  molprobity     ?  False  
 61   61  t         -71.2  -46.1  Favored   9   7  1.39  10  1.86  molprobity     ?  False  
 62   62  m        -100.2  -47.5  Favored   9   7  1.43  10  1.66  molprobity     ?  False  
 63   63  ?         -65.0  -59.9  Favored   3   4  1.74   5  0.95  molprobity     ?  False  
 64   64  mt        -63.5  -28.9  Favored  11   8  1.34  11  1.26  molprobity     ?  False  
 65   65  tp        -51.2  -36.7  Favored  11   8  1.16  11  1.20  molprobity     ?  False  
 66   66  mm        -59.6  -43.0  Favored  11   8  1.34  11  1.27  molprobity     ?  False  
 67   67  tptp      -72.3  -39.6  Favored  13   9  1.17  11  1.23  molprobity     ?  False  
 68   68  ttm180    -64.6  -53.0  Favored  13  11  1.65  14  3.18  molprobity     ?  False  
 69   69  mtp180   -106.7   76.2  Allowed  13  11  1.52  14  2.88  molprobity     ?  False  
 70   70  ttt180        ?      ?  ?        13  11  2.55  11  3.44  molprobity     ?  False  
 71   71  tp10          ?      ?  ?         8   9  3.50  12  1.71  molprobity     ?  False  
 72   72  mt-30     -75.1  -63.2  Allowed   8   9  1.09  12  0.93  molprobity     ?  False  
 73   73  ttm180    -94.5   92.8  Favored  13  11  1.48  14  2.95  molprobity     ?  False  
 74   74  ?         -77.4   53.6  Allowed   5   5  1.30   7  2.33  molprobity     ?  False  
 75   75  t        -146.3  -64.5  OUTLIER   5   6  1.45   9  1.84  molprobity     1  True   
 76   76  Cg_endo   -64.9  -43.4  Favored   7   8  1.08  11  0.94  molprobity     1  True   
 77   77  t         -63.8  -43.3  Favored   9   7  1.46  10  1.58  molprobity     1  True   
 78   78  m         -57.3  -46.4  Favored   7   7  1.23  10  1.23  molprobity     1  True   
 79   79  t80       -55.7  -47.8  Favored   9  12  1.17  16  1.05  molprobity     1  True   
 80   80  mm        -64.2  -42.5  Favored  11   8  1.30  11  1.35  molprobity     1  True   
 81   81  mt        -58.1  -52.0  Favored  11   8  1.34  11  0.99  molprobity     1  True   
 82   82  ?         -55.9  -40.1  Favored   5   5  1.24   7  1.75  molprobity     1  True   
 83   83  m         -63.1  -50.3  Favored   7   7  1.16  10  1.22  molprobity     1  True   
 84   84  p         -61.1  -43.3  Favored   9   7  1.31  10  1.63  molprobity     1  True   
 85   85  m         -64.8  -41.8  Favored   9   7  1.41  10  1.59  molprobity     1  True   
 86   86  ?         -58.5  -47.2  Favored   3   4  1.75   5  1.07  molprobity     1  True   
 87   87  t         -60.6  -46.6  Favored   9   7  1.46  10  1.67  molprobity     1  True   
 88   88  tp        -57.9  -49.2  Favored  11   8  1.14  11  1.24  molprobity     1  True   
 89   89  mt        -60.4  -36.2  Favored  11   8  1.15  11  0.97  molprobity     1  True   
 90   90  t80       -60.4  -56.5  Favored   9  12  1.13  16  0.99  molprobity     1  True   
 91   91  pp        -63.2  -34.8  Favored  11   8  1.17  11  1.34  molprobity     1  True   
 92   92  mt        -75.0  -56.9  Favored  11   8  1.28  11  0.90  molprobity     1  True   
 93   93  mt        -93.0  -61.4  Allowed  11   8  1.04  11  0.91  molprobity     ?  False  
 94   94  t         -66.6  -38.6  Favored   9   7  1.48  10  1.75  molprobity     ?  False  
 95   95  t         -64.3  -46.0  Favored   9   7  1.34  10  1.64  molprobity     ?  False  
 96   96  t         -70.3  -63.9  Allowed   9   7  1.37  10  1.56  molprobity     ?  False  
 97   97  m         -90.0   71.3  Allowed   9   7  1.38  10  1.57  molprobity     ?  False  
 98   98  ?         169.8  -82.1  OUTLIER   3   4  1.37   5  0.36  molprobity     ?  False  
 99   99  mp        -65.6  -53.6  Favored  11   8  1.34  11  1.40  molprobity     ?  False  
100  100  tp        -57.0  -35.0  Favored  11   8  1.17  11  1.29  molprobity     ?  False  
101  101  mm        -64.4  -50.6  Favored  11   8  1.26  11  1.26  molprobity     ?  False  
102  102  tptt      -66.2  -29.5  Favored  13   9  1.16  11  1.30  molprobity     ?  False  
103  103  ttm180    -61.1  -49.8  Favored  13  11  1.56  14  3.01  molprobity     ?  False  
104  104  ttt-85    -87.9   70.6  Favored  13  11  1.54  14  2.99  molprobity     ?  False  
105  105  OUTLIER       ?      ?  ?        13  11  2.57  11  3.36  molprobity     ?  False  
106  106  mt-10         ?      ?  ?         8   9  3.51  12  1.37  molprobity     ?  False  
107  107  OUTLIER   -70.4  -61.2  Allowed   8   9  1.15  12  1.47  molprobity     ?  False  
108  108  ttt-85    -83.4   71.1  Favored  13  11  1.55  14  3.14  molprobity     ?  False  
109  109  ?         -78.8  -55.6  Favored   5   5  1.11   7  1.81  molprobity     ?  False  
110  110  t         -62.3  -52.7  Favored   5   6  1.48   9  1.78  molprobity     1  True   
111  111  Cg_endo   -67.6  -33.2  Favored   7   8  1.06  11  1.02  molprobity     1  True   
112  112  t         -61.5  -45.6  Favored   9   7  1.44  10  1.60  molprobity     1  True   
113  113  m         -56.5  -44.8  Favored   7   7  1.27  10  1.19  molprobity     1  True   
114  114  t80       -57.4  -43.9  Favored   9  12  1.17  16  1.03  molprobity     1  True   
115  115  mt        -59.9  -46.9  Favored  11   8  1.35  11  1.08  molprobity     1  True   
116  116  mt        -56.2  -52.9  Favored  11   8  1.34  11  1.02  molprobity     1  True   
117  117  ?         -57.0  -40.3  Favored   5   5  1.24   7  1.76  molprobity     1  True   
118  118  m         -63.7  -50.1  Favored   7   7  1.15  10  1.22  molprobity     1  True   
119  119  p         -60.5  -43.0  Favored   9   7  1.30  10  1.63  molprobity     1  True   
120  120  m         -64.3  -42.3  Favored   9   7  1.41  10  1.58  molprobity     1  True   
121  121  ?         -57.0  -46.9  Favored   3   4  1.81   5  1.06  molprobity     1  True   
122  122  t         -60.3  -48.5  Favored   9   7  1.44  10  1.63  molprobity     1  True   
123  123  tp        -54.0  -48.0  Favored  11   8  1.16  11  1.18  molprobity     1  True   
124  124  mt        -59.8  -40.5  Favored  11   8  1.15  11  0.97  molprobity     1  True   
125  125  t80       -63.8  -57.6  Favored   9  12  1.13  16  1.07  molprobity     1  True   
126  126  OUTLIER   -64.7  -38.6  Favored  11   8  1.17  11  1.40  molprobity     1  True   
127  127  mt        -75.7  -62.3  Allowed  11   8  1.23  11  0.96  molprobity     1  True   
128  128  mt        -82.7  -44.5  Favored  11   8  1.09  11  1.01  molprobity     ?  False  
129  129  t         -74.6  -54.6  Favored   9   7  1.36  10  1.50  molprobity     ?  False  
130  130  t         -75.8  -59.8  Favored   9   7  1.35  10  1.59  molprobity     ?  False  
131  131  t         -76.0  -73.9  Allowed   9   7  1.37  10  1.77  molprobity     ?  False  
132  132  m         -84.1   60.0  Allowed   9   7  1.44  10  1.61  molprobity     ?  False  
133  133  ?        -171.9  -82.0  OUTLIER   3   4  1.28   5  0.50  molprobity     ?  False  
134  134  mt        -70.9  -55.8  Favored  11   8  1.31  11  1.02  molprobity     ?  False  
135  135  tp        -62.4  -44.7  Favored  11   8  1.07  11  1.24  molprobity     ?  False  
136  136  mm        -65.9  -34.1  Favored  11   8  1.33  11  1.55  molprobity     ?  False  
137  137  tptt      -63.0  -39.0  Favored  13   9  1.16  11  1.27  molprobity     ?  False  
138  138  ttt-85    -67.2  -55.3  Favored  13  11  1.54  14  3.00  molprobity     ?  False  
139  139  mtp-105  -135.1   99.7  Favored  13  11  1.51  14  2.91  molprobity     ?  False  
140  140  OUTLIER       ?      ?  ?        13  11  2.68  11  3.53  molprobity     ?  False  
141  141  mp0           ?      ?  ?         8   9  3.53  12  1.39  molprobity     ?  False  
142  142  tt0       -58.7  -44.5  Favored   8   9  1.16  12  1.34  molprobity     ?  False  
143  143  tpp85     -71.7  -24.6  Favored  13  11  1.63  14  3.11  molprobity     ?  False  
144  144  ?         -61.8  -42.7  Favored   5   5  1.16   7  1.65  molprobity     ?  False  
145  145  t         -59.8  -54.3  Favored   5   6  1.54   9  1.77  molprobity     1  True   
146  146  Cg_endo   -61.8  -38.2  Favored   7   8  1.07  11  0.92  molprobity     1  True   
147  147  t         -60.8  -45.3  Favored   9   7  1.45  10  1.63  molprobity     1  True   
148  148  m         -57.7  -44.5  Favored   7   7  1.26  10  1.18  molprobity     1  True   
149  149  t80       -57.1  -43.8  Favored   9  12  1.18  16  1.03  molprobity     1  True   
150  150  mt        -60.3  -47.0  Favored  11   8  1.34  11  1.08  molprobity     1  True   
151  151  mt        -56.1  -52.9  Favored  11   8  1.33  11  1.03  molprobity     1  True   
152  152  ?         -56.6  -40.2  Favored   5   5  1.24   7  1.77  molprobity     1  True   
153  153  m         -63.4  -50.3  Favored   7   7  1.16  10  1.23  molprobity     1  True   
154  154  p         -60.7  -43.3  Favored   9   7  1.31  10  1.63  molprobity     1  True   
155  155  m         -64.5  -42.2  Favored   9   7  1.42  10  1.57  molprobity     1  True   
156  156  ?         -57.3  -46.9  Favored   3   4  1.77   5  1.07  molprobity     1  True   
157  157  t         -60.3  -48.2  Favored   9   7  1.43  10  1.64  molprobity     1  True   
158  158  tp        -54.3  -48.0  Favored  11   8  1.17  11  1.18  molprobity     1  True   
159  159  mt        -60.0  -40.6  Favored  11   8  1.15  11  0.96  molprobity     1  True   
160  160  t80       -63.2  -57.9  Favored   9  12  1.12  16  1.07  molprobity     1  True   
161  161  OUTLIER   -64.5  -38.4  Favored  11   8  1.17  11  1.40  molprobity     1  True   
162  162  mt        -75.8  -61.9  Allowed  11   8  1.23  11  0.96  molprobity     1  True   
163  163  mt        -82.4  -45.9  Favored  11   8  1.08  11  0.96  molprobity     ?  False  
164  164  t         -74.0  -52.0  Favored   9   7  1.38  10  1.52  molprobity     ?  False  
165  165  t         -78.5  -65.7  Allowed   9   7  1.32  10  1.58  molprobity     ?  False  
166  166  t         -67.9  -61.8  Allowed   9   7  1.38  10  1.78  molprobity     ?  False  
167  167  m         -90.0   53.8  Allowed   9   7  1.46  10  1.55  molprobity     ?  False  
168  168  ?        -168.4  -93.2  OUTLIER   3   4  1.30   5  0.46  molprobity     ?  False  
169  169  mp        -60.5  -45.2  Favored  11   8  1.36  11  1.58  molprobity     ?  False  
170  170  tp        -57.6  -34.1  Favored  11   8  1.13  11  1.24  molprobity     ?  False  
171  171  mm        -70.0  -45.0  Favored  11   8  1.29  11  1.28  molprobity     ?  False  
172  172  mptt      -63.3  -42.3  Favored  13   9  1.15  11  1.05  molprobity     ?  False  
173  173  ttp85     -67.7  -36.3  Favored  13  11  1.59  14  2.95  molprobity     ?  False  
174  174  mtp-105  -137.6   89.6  Favored  13  11  1.53  14  2.95  molprobity     ?  False  
175  175  OUTLIER       ?      ?  ?        13  11  2.64  11  3.55  molprobity     ?  False  
#
loop_
_pdbx_vrpt_instance_intra_bond_outliers.ordinal
_pdbx_vrpt_instance_intra_bond_outliers.instance_id
_pdbx_vrpt_instance_intra_bond_outliers.atom_1
_pdbx_vrpt_instance_intra_bond_outliers.atom_2
_pdbx_vrpt_instance_intra_bond_outliers.obs
_pdbx_vrpt_instance_intra_bond_outliers.mean
_pdbx_vrpt_instance_intra_bond_outliers.stdev
_pdbx_vrpt_instance_intra_bond_outliers.Z
 1    1  CD  OE2  1.360  1.252  0.011  9.81  
 2   35  C   OXT  1.366  1.229  0.019  7.20  
 3   36  CD  OE2  1.359  1.252  0.011  9.74  
 4   70  C   OXT  1.363  1.229  0.019  7.03  
 5   71  CD  OE2  1.359  1.252  0.011  9.74  
 6  105  C   OXT  1.364  1.229  0.019  7.08  
 7  106  CD  OE2  1.359  1.252  0.011  9.75  
 8  140  C   OXT  1.366  1.229  0.019  7.23  
 9  141  CD  OE2  1.360  1.252  0.011  9.83  
10  175  C   OXT  1.366  1.229  0.019  7.20  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
 1    3  NE  CZ  NH1  124.511  120.300  0.500   8.42  
 2    3  NE  CZ  NH2  117.295  120.300  0.500  -6.01  
 3   33  NE  CZ  NH1  124.399  120.300  0.500   8.20  
 4   33  NE  CZ  NH2  117.253  120.300  0.500  -6.09  
 5   34  NE  CZ  NH1  124.315  120.300  0.500   8.03  
 6   34  NE  CZ  NH2  117.305  120.300  0.500  -5.99  
 7   35  NE  CZ  NH1  124.812  120.300  0.500   9.03  
 8   35  NE  CZ  NH2  117.134  120.300  0.500  -6.33  
 9   38  NE  CZ  NH1  124.705  120.300  0.500   8.81  
10   38  NE  CZ  NH2  117.221  120.300  0.500  -6.16  
11   68  NE  CZ  NH1  124.995  120.300  0.500   9.39  
12   68  NE  CZ  NH2  117.617  120.300  0.500  -5.37  
13   69  NE  CZ  NH1  124.453  120.300  0.500   8.30  
14   69  NE  CZ  NH2  117.307  120.300  0.500  -5.99  
15   70  NE  CZ  NH1  124.585  120.300  0.500   8.57  
16   70  NE  CZ  NH2  117.209  120.300  0.500  -6.18  
17   73  NE  CZ  NH1  124.492  120.300  0.500   8.38  
18   73  NE  CZ  NH2  117.279  120.300  0.500  -6.04  
19  103  NE  CZ  NH1  124.452  120.300  0.500   8.30  
20  103  NE  CZ  NH2  117.240  120.300  0.500  -6.12  
21  104  NE  CZ  NH1  124.423  120.300  0.500   8.24  
22  104  NE  CZ  NH2  117.367  120.300  0.500  -5.87  
23  105  NE  CZ  NH1  124.391  120.300  0.500   8.18  
24  105  NE  CZ  NH2  117.363  120.300  0.500  -5.88  
25  108  NE  CZ  NH1  124.684  120.300  0.500   8.77  
26  108  NE  CZ  NH2  117.255  120.300  0.500  -6.09  
27  138  NE  CZ  NH1  124.404  120.300  0.500   8.21  
28  138  NE  CZ  NH2  117.381  120.300  0.500  -5.84  
29  139  NE  CZ  NH1  124.536  120.300  0.500   8.47  
30  139  NE  CZ  NH2  117.277  120.300  0.500  -6.05  
31  140  NE  CZ  NH1  124.549  120.300  0.500   8.50  
32  140  NE  CZ  NH2  117.451  120.300  0.500  -5.70  
33  143  NE  CZ  NH1  124.504  120.300  0.500   8.41  
34  143  NE  CZ  NH2  117.262  120.300  0.500  -6.08  
35  173  NE  CZ  NH1  124.432  120.300  0.500   8.26  
36  173  NE  CZ  NH2  117.497  120.300  0.500  -5.61  
37  174  NE  CZ  NH1  124.568  120.300  0.500   8.54  
38  174  NE  CZ  NH2  117.325  120.300  0.500  -5.95  
39  175  NE  CZ  NH1  124.690  120.300  0.500   8.78  
40  175  NE  CZ  NH2  117.227  120.300  0.500  -6.15  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
1  outlier  ?     
2  1        ?     
3  outlier  ?     
4  1        ?     
5  1        True  
#
_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  18
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.090
_pdbx_vrpt_cyrange_domain.medoid_model        5
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.066
_pdbx_vrpt_cyrange_domain.residue_string      A:5-A:22
#
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    2.26                                                                  Y  
3  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
