data_6GIF

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6GIF   
BMRB  34270  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6GIF
_pdbx_vrpt_summary.PDB_deposition_date         2018-05-11
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-06:12:23
_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  AapA1
#
_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   18.64  158937  ?     ?     
2  2  1   43.31   12864  ?     ?     
3  1  2  100.00  154571  ?     ?     
4  2  2  100.00   11451  ?     ?     
5  1  3    4.20  154315  ?     ?     
6  2  3   37.66   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    5.31  
 4  6  3  A   1  1  A    5.31  
 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    1.20  
 8  6  3  A   2  1  A    1.20  
 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    2.45  
12  6  3  A   3  1  A    2.45  
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    5.31  
16  6  3  A   4  1  A    5.31  
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    2.45  
20  6  3  A   5  1  A    2.45  
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    2.45  
24  6  3  A   6  1  A    2.45  
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    5.31  
28  6  3  A   7  1  A    5.31  
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    5.31  
32  6  3  A   8  1  A    5.31  
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    2.45  
36  6  3  A   9  1  A    2.45  
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    2.45  
40  6  3  A  10  1  A    2.45  
#
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  0.61  0.49  245  324  
 2   2  1  A  A  0.61  0.50  245  324  
 3   3  1  A  A  0.62  0.50  245  324  
 4   4  1  A  A  0.61  0.51  245  324  
 5   5  1  A  A  0.62  0.49  245  324  
 6   6  1  A  A  0.59  0.49  245  324  
 7   7  1  A  A  0.62  0.50  245  324  
 8   8  1  A  A  0.60  0.48  245  324  
 9   9  1  A  A  0.61  0.48  245  324  
10  10  1  A  A  0.61  0.49  245  324  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   18.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       14.23
_pdbx_vrpt_summary_geometry.clashscore                                 14.43
_pdbx_vrpt_summary_geometry.clashscore_full_length                     10.92
_pdbx_vrpt_summary_geometry.num_H_reduce                               2720
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2450
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.49
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            3240
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.61
#
_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            6
_pdbx_vrpt_summary_nmr.medoid_model                             6
_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              2
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              58.58
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  57.34
#
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  MET  A   1  .  ?        ?  
  2   1  1  A   2  ALA  A   2  .  ?        ?  
  3   1  1  A   3  THR  A   3  .  ?        ?  
  4   1  1  A   4  LYS  A   4  .  ?        ?  
  5   1  1  A   5  HIS  A   5  .  ?        ?  
  6   1  1  A   6  GLY  A   6  .  ?        ?  
  7   1  1  A   7  LYS  A   7  .  ?        ?  
  8   1  1  A   8  ASN  A   8  .  ?        ?  
  9   1  1  A   9  SER  A   9  .  ?        ?  
 10   1  1  A  10  TRP  A  10  .  ?        ?  
 11   1  1  A  11  LYS  A  11  .  ?        ?  
 12   1  1  A  12  THR  A  12  .  ?        ?  
 13   1  1  A  13  LEU  A  13  .  ?        1  
 14   1  1  A  14  TYR  A  14  .  ?        ?  
 15   1  1  A  15  LEU  A  15  .  ?        ?  
 16   1  1  A  16  LYS  A  16  .  ?        2  
 17   1  1  A  17  ILE  A  17  .  ?        1  
 18   1  1  A  18  SER  A  18  .  ?        ?  
 19   1  1  A  19  PHE  A  19  .  ?        ?  
 20   1  1  A  20  LEU  A  20  .  ?        1  
 21   1  1  A  21  GLY  A  21  .  ?        ?  
 22   1  1  A  22  CYS  A  22  .  ?        ?  
 23   1  1  A  23  LYS  A  23  .  ?        ?  
 24   1  1  A  24  VAL  A  24  .  ?        2  
 25   1  1  A  25  VAL  A  25  .  ?        ?  
 26   1  1  A  26  ALA  A  26  .  ?        ?  
 27   1  1  A  27  LEU  A  27  .  ?        1  
 28   1  1  A  28  LEU  A  28  .  ?        1  
 29   1  1  A  29  LYS  A  29  .  ?        1  
 30   1  1  A  30  ARG  A  30  .  ?        ?  
 31   2  1  A   1  MET  A   1  .  ?        ?  
 32   2  1  A   2  ALA  A   2  .  ?        ?  
 33   2  1  A   3  THR  A   3  .  ?        ?  
 34   2  1  A   4  LYS  A   4  .  ?        ?  
 35   2  1  A   5  HIS  A   5  .  ?        ?  
 36   2  1  A   6  GLY  A   6  .  ?        ?  
 37   2  1  A   7  LYS  A   7  .  ?        ?  
 38   2  1  A   8  ASN  A   8  .  ?        ?  
 39   2  1  A   9  SER  A   9  .  ?        ?  
 40   2  1  A  10  TRP  A  10  .  ?        ?  
 41   2  1  A  11  LYS  A  11  .  ?        ?  
 42   2  1  A  12  THR  A  12  .  ?        ?  
 43   2  1  A  13  LEU  A  13  .  ?        1  
 44   2  1  A  14  TYR  A  14  .  ?        ?  
 45   2  1  A  15  LEU  A  15  .  ?        ?  
 46   2  1  A  16  LYS  A  16  .  ?        2  
 47   2  1  A  17  ILE  A  17  .  ?        1  
 48   2  1  A  18  SER  A  18  .  ?        ?  
 49   2  1  A  19  PHE  A  19  .  ?        ?  
 50   2  1  A  20  LEU  A  20  .  ?        1  
 51   2  1  A  21  GLY  A  21  .  ?        ?  
 52   2  1  A  22  CYS  A  22  .  ?        ?  
 53   2  1  A  23  LYS  A  23  .  ?        ?  
 54   2  1  A  24  VAL  A  24  .  ?        2  
 55   2  1  A  25  VAL  A  25  .  ?        ?  
 56   2  1  A  26  ALA  A  26  .  ?        1  
 57   2  1  A  27  LEU  A  27  .  ?        1  
 58   2  1  A  28  LEU  A  28  .  ?        ?  
 59   2  1  A  29  LYS  A  29  .  ?        ?  
 60   2  1  A  30  ARG  A  30  .  ?        1  
 61   3  1  A   1  MET  A   1  .  ?        ?  
 62   3  1  A   2  ALA  A   2  .  ?        ?  
 63   3  1  A   3  THR  A   3  .  ?        ?  
 64   3  1  A   4  LYS  A   4  .  ?        ?  
 65   3  1  A   5  HIS  A   5  .  ?        ?  
 66   3  1  A   6  GLY  A   6  .  ?        ?  
 67   3  1  A   7  LYS  A   7  .  ?        ?  
 68   3  1  A   8  ASN  A   8  .  ?        ?  
 69   3  1  A   9  SER  A   9  .  ?        ?  
 70   3  1  A  10  TRP  A  10  .  ?        ?  
 71   3  1  A  11  LYS  A  11  .  ?        ?  
 72   3  1  A  12  THR  A  12  .  ?        ?  
 73   3  1  A  13  LEU  A  13  .  ?        1  
 74   3  1  A  14  TYR  A  14  .  ?        ?  
 75   3  1  A  15  LEU  A  15  .  ?        ?  
 76   3  1  A  16  LYS  A  16  .  ?        2  
 77   3  1  A  17  ILE  A  17  .  ?        1  
 78   3  1  A  18  SER  A  18  .  ?        ?  
 79   3  1  A  19  PHE  A  19  .  ?        1  
 80   3  1  A  20  LEU  A  20  .  ?        2  
 81   3  1  A  21  GLY  A  21  .  ?        ?  
 82   3  1  A  22  CYS  A  22  .  ?        ?  
 83   3  1  A  23  LYS  A  23  .  ?        ?  
 84   3  1  A  24  VAL  A  24  .  ?        2  
 85   3  1  A  25  VAL  A  25  .  ?        ?  
 86   3  1  A  26  ALA  A  26  .  ?        1  
 87   3  1  A  27  LEU  A  27  .  ?        1  
 88   3  1  A  28  LEU  A  28  .  ?        ?  
 89   3  1  A  29  LYS  A  29  .  ?        ?  
 90   3  1  A  30  ARG  A  30  .  ?        1  
 91   4  1  A   1  MET  A   1  .  ?        ?  
 92   4  1  A   2  ALA  A   2  .  ?        ?  
 93   4  1  A   3  THR  A   3  .  ?        ?  
 94   4  1  A   4  LYS  A   4  .  ?        ?  
 95   4  1  A   5  HIS  A   5  .  ?        ?  
 96   4  1  A   6  GLY  A   6  .  ?        ?  
 97   4  1  A   7  LYS  A   7  .  ?        ?  
 98   4  1  A   8  ASN  A   8  .  ?        ?  
 99   4  1  A   9  SER  A   9  .  ?        ?  
100   4  1  A  10  TRP  A  10  .  ?        ?  
101   4  1  A  11  LYS  A  11  .  ?        ?  
102   4  1  A  12  THR  A  12  .  ?        1  
103   4  1  A  13  LEU  A  13  .  ?        1  
104   4  1  A  14  TYR  A  14  .  ?        1  
105   4  1  A  15  LEU  A  15  .  ?        1  
106   4  1  A  16  LYS  A  16  .  ?        2  
107   4  1  A  17  ILE  A  17  .  ?        2  
108   4  1  A  18  SER  A  18  .  ?        ?  
109   4  1  A  19  PHE  A  19  .  ?        ?  
110   4  1  A  20  LEU  A  20  .  ?        1  
111   4  1  A  21  GLY  A  21  .  ?        ?  
112   4  1  A  22  CYS  A  22  .  ?        ?  
113   4  1  A  23  LYS  A  23  .  ?        ?  
114   4  1  A  24  VAL  A  24  .  ?        2  
115   4  1  A  25  VAL  A  25  .  ?        ?  
116   4  1  A  26  ALA  A  26  .  ?        ?  
117   4  1  A  27  LEU  A  27  .  ?        1  
118   4  1  A  28  LEU  A  28  .  ?        1  
119   4  1  A  29  LYS  A  29  .  ?        1  
120   4  1  A  30  ARG  A  30  .  ?        ?  
121   5  1  A   1  MET  A   1  .  ?        ?  
122   5  1  A   2  ALA  A   2  .  ?        ?  
123   5  1  A   3  THR  A   3  .  ?        ?  
124   5  1  A   4  LYS  A   4  .  ?        ?  
125   5  1  A   5  HIS  A   5  .  ?        ?  
126   5  1  A   6  GLY  A   6  .  ?        ?  
127   5  1  A   7  LYS  A   7  .  ?        ?  
128   5  1  A   8  ASN  A   8  .  ?        ?  
129   5  1  A   9  SER  A   9  .  ?        1  
130   5  1  A  10  TRP  A  10  .  ?        ?  
131   5  1  A  11  LYS  A  11  .  ?        ?  
132   5  1  A  12  THR  A  12  .  ?        ?  
133   5  1  A  13  LEU  A  13  .  ?        2  
134   5  1  A  14  TYR  A  14  .  ?        ?  
135   5  1  A  15  LEU  A  15  .  ?        ?  
136   5  1  A  16  LYS  A  16  .  ?        2  
137   5  1  A  17  ILE  A  17  .  ?        1  
138   5  1  A  18  SER  A  18  .  ?        ?  
139   5  1  A  19  PHE  A  19  .  ?        ?  
140   5  1  A  20  LEU  A  20  .  ?        1  
141   5  1  A  21  GLY  A  21  .  ?        ?  
142   5  1  A  22  CYS  A  22  .  ?        ?  
143   5  1  A  23  LYS  A  23  .  ?        ?  
144   5  1  A  24  VAL  A  24  .  ?        2  
145   5  1  A  25  VAL  A  25  .  ?        ?  
146   5  1  A  26  ALA  A  26  .  ?        ?  
147   5  1  A  27  LEU  A  27  .  ?        1  
148   5  1  A  28  LEU  A  28  .  ?        ?  
149   5  1  A  29  LYS  A  29  .  ?        ?  
150   5  1  A  30  ARG  A  30  .  ?        ?  
151   6  1  A   1  MET  A   1  .  ?        ?  
152   6  1  A   2  ALA  A   2  .  ?        ?  
153   6  1  A   3  THR  A   3  .  ?        ?  
154   6  1  A   4  LYS  A   4  .  ?        ?  
155   6  1  A   5  HIS  A   5  .  ?        ?  
156   6  1  A   6  GLY  A   6  .  ?        ?  
157   6  1  A   7  LYS  A   7  .  ?        ?  
158   6  1  A   8  ASN  A   8  .  ?        ?  
159   6  1  A   9  SER  A   9  .  ?        ?  
160   6  1  A  10  TRP  A  10  .  ?        ?  
161   6  1  A  11  LYS  A  11  .  ?        ?  
162   6  1  A  12  THR  A  12  .  ?        ?  
163   6  1  A  13  LEU  A  13  .  ?        1  
164   6  1  A  14  TYR  A  14  .  ?        1  
165   6  1  A  15  LEU  A  15  .  ?        ?  
166   6  1  A  16  LYS  A  16  .  ?        2  
167   6  1  A  17  ILE  A  17  .  ?        2  
168   6  1  A  18  SER  A  18  .  ?        ?  
169   6  1  A  19  PHE  A  19  .  ?        ?  
170   6  1  A  20  LEU  A  20  .  ?        1  
171   6  1  A  21  GLY  A  21  .  ?        ?  
172   6  1  A  22  CYS  A  22  .  ?        ?  
173   6  1  A  23  LYS  A  23  .  ?        ?  
174   6  1  A  24  VAL  A  24  .  ?        2  
175   6  1  A  25  VAL  A  25  .  ?        1  
176   6  1  A  26  ALA  A  26  .  ?        1  
177   6  1  A  27  LEU  A  27  .  ?        1  
178   6  1  A  28  LEU  A  28  .  ?        ?  
179   6  1  A  29  LYS  A  29  .  ?        1  
180   6  1  A  30  ARG  A  30  .  ?        1  
181   7  1  A   1  MET  A   1  .  ?        ?  
182   7  1  A   2  ALA  A   2  .  ?        ?  
183   7  1  A   3  THR  A   3  .  ?        ?  
184   7  1  A   4  LYS  A   4  .  ?        ?  
185   7  1  A   5  HIS  A   5  .  ?        ?  
186   7  1  A   6  GLY  A   6  .  ?        ?  
187   7  1  A   7  LYS  A   7  .  ?        ?  
188   7  1  A   8  ASN  A   8  .  ?        ?  
189   7  1  A   9  SER  A   9  .  ?        ?  
190   7  1  A  10  TRP  A  10  .  ?        ?  
191   7  1  A  11  LYS  A  11  .  ?        ?  
192   7  1  A  12  THR  A  12  .  ?        ?  
193   7  1  A  13  LEU  A  13  .  ?        ?  
194   7  1  A  14  TYR  A  14  .  ?        1  
195   7  1  A  15  LEU  A  15  .  ?        ?  
196   7  1  A  16  LYS  A  16  .  ?        2  
197   7  1  A  17  ILE  A  17  .  ?        1  
198   7  1  A  18  SER  A  18  .  ?        ?  
199   7  1  A  19  PHE  A  19  .  ?        ?  
200   7  1  A  20  LEU  A  20  .  ?        1  
201   7  1  A  21  GLY  A  21  .  ?        ?  
202   7  1  A  22  CYS  A  22  .  ?        ?  
203   7  1  A  23  LYS  A  23  .  ?        ?  
204   7  1  A  24  VAL  A  24  .  ?        2  
205   7  1  A  25  VAL  A  25  .  ?        ?  
206   7  1  A  26  ALA  A  26  .  ?        1  
207   7  1  A  27  LEU  A  27  .  ?        1  
208   7  1  A  28  LEU  A  28  .  ?        ?  
209   7  1  A  29  LYS  A  29  .  ?        ?  
210   7  1  A  30  ARG  A  30  .  ?        1  
211   8  1  A   1  MET  A   1  .  ?        ?  
212   8  1  A   2  ALA  A   2  .  ?        ?  
213   8  1  A   3  THR  A   3  .  ?        ?  
214   8  1  A   4  LYS  A   4  .  ?        ?  
215   8  1  A   5  HIS  A   5  .  ?        ?  
216   8  1  A   6  GLY  A   6  .  ?        ?  
217   8  1  A   7  LYS  A   7  .  ?        ?  
218   8  1  A   8  ASN  A   8  .  ?        ?  
219   8  1  A   9  SER  A   9  .  ?        1  
220   8  1  A  10  TRP  A  10  .  ?        ?  
221   8  1  A  11  LYS  A  11  .  ?        ?  
222   8  1  A  12  THR  A  12  .  ?        1  
223   8  1  A  13  LEU  A  13  .  ?        2  
224   8  1  A  14  TYR  A  14  .  ?        ?  
225   8  1  A  15  LEU  A  15  .  ?        1  
226   8  1  A  16  LYS  A  16  .  ?        2  
227   8  1  A  17  ILE  A  17  .  ?        1  
228   8  1  A  18  SER  A  18  .  ?        ?  
229   8  1  A  19  PHE  A  19  .  ?        ?  
230   8  1  A  20  LEU  A  20  .  ?        1  
231   8  1  A  21  GLY  A  21  .  ?        ?  
232   8  1  A  22  CYS  A  22  .  ?        ?  
233   8  1  A  23  LYS  A  23  .  ?        ?  
234   8  1  A  24  VAL  A  24  .  ?        2  
235   8  1  A  25  VAL  A  25  .  ?        ?  
236   8  1  A  26  ALA  A  26  .  ?        ?  
237   8  1  A  27  LEU  A  27  .  ?        1  
238   8  1  A  28  LEU  A  28  .  ?        ?  
239   8  1  A  29  LYS  A  29  .  ?        ?  
240   8  1  A  30  ARG  A  30  .  ?        ?  
241   9  1  A   1  MET  A   1  .  ?        ?  
242   9  1  A   2  ALA  A   2  .  ?        ?  
243   9  1  A   3  THR  A   3  .  ?        ?  
244   9  1  A   4  LYS  A   4  .  ?        ?  
245   9  1  A   5  HIS  A   5  .  ?        ?  
246   9  1  A   6  GLY  A   6  .  ?        ?  
247   9  1  A   7  LYS  A   7  .  ?        ?  
248   9  1  A   8  ASN  A   8  .  ?        ?  
249   9  1  A   9  SER  A   9  .  ?        1  
250   9  1  A  10  TRP  A  10  .  ?        ?  
251   9  1  A  11  LYS  A  11  .  ?        ?  
252   9  1  A  12  THR  A  12  .  ?        ?  
253   9  1  A  13  LEU  A  13  .  ?        2  
254   9  1  A  14  TYR  A  14  .  ?        ?  
255   9  1  A  15  LEU  A  15  .  ?        ?  
256   9  1  A  16  LYS  A  16  .  ?        2  
257   9  1  A  17  ILE  A  17  .  ?        1  
258   9  1  A  18  SER  A  18  .  ?        ?  
259   9  1  A  19  PHE  A  19  .  ?        ?  
260   9  1  A  20  LEU  A  20  .  ?        1  
261   9  1  A  21  GLY  A  21  .  ?        ?  
262   9  1  A  22  CYS  A  22  .  ?        ?  
263   9  1  A  23  LYS  A  23  .  ?        ?  
264   9  1  A  24  VAL  A  24  .  ?        2  
265   9  1  A  25  VAL  A  25  .  ?        ?  
266   9  1  A  26  ALA  A  26  .  ?        ?  
267   9  1  A  27  LEU  A  27  .  ?        1  
268   9  1  A  28  LEU  A  28  .  ?        1  
269   9  1  A  29  LYS  A  29  .  ?        1  
270   9  1  A  30  ARG  A  30  .  ?        ?  
271  10  1  A   1  MET  A   1  .  ?        ?  
272  10  1  A   2  ALA  A   2  .  ?        ?  
273  10  1  A   3  THR  A   3  .  ?        ?  
274  10  1  A   4  LYS  A   4  .  ?        ?  
275  10  1  A   5  HIS  A   5  .  ?        ?  
276  10  1  A   6  GLY  A   6  .  ?        ?  
277  10  1  A   7  LYS  A   7  .  ?        ?  
278  10  1  A   8  ASN  A   8  .  ?        ?  
279  10  1  A   9  SER  A   9  .  ?        ?  
280  10  1  A  10  TRP  A  10  .  ?        ?  
281  10  1  A  11  LYS  A  11  .  ?        ?  
282  10  1  A  12  THR  A  12  .  ?        ?  
283  10  1  A  13  LEU  A  13  .  ?        ?  
284  10  1  A  14  TYR  A  14  .  ?        1  
285  10  1  A  15  LEU  A  15  .  ?        ?  
286  10  1  A  16  LYS  A  16  .  ?        2  
287  10  1  A  17  ILE  A  17  .  ?        1  
288  10  1  A  18  SER  A  18  .  ?        ?  
289  10  1  A  19  PHE  A  19  .  ?        1  
290  10  1  A  20  LEU  A  20  .  ?        2  
291  10  1  A  21  GLY  A  21  .  ?        ?  
292  10  1  A  22  CYS  A  22  .  ?        ?  
293  10  1  A  23  LYS  A  23  .  ?        ?  
294  10  1  A  24  VAL  A  24  .  ?        1  
295  10  1  A  25  VAL  A  25  .  ?        ?  
296  10  1  A  26  ALA  A  26  .  ?        ?  
297  10  1  A  27  LEU  A  27  .  ?        ?  
298  10  1  A  28  LEU  A  28  .  ?        ?  
299  10  1  A  29  LYS  A  29  .  ?        ?  
300  10  1  A  30  ARG  A  30  .  ?        ?  
#
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  tpt           ?       ?  ?        11   8  0.43  10  0.33  molprobity     ?  False  
  2    2  ?          61.3    53.5  Favored   5   5  0.28   7  0.40  molprobity     ?  False  
  3    3  t        -158.9    13.9  Allowed   7   7  0.36  10  0.51  molprobity     ?  False  
  4    4  mmtt     -105.9    18.2  Favored  13   9  0.24  11  0.29  molprobity     ?  False  
  5    5  m80       -87.6   -27.5  Favored   7  11  0.16  15  0.38  molprobity     ?  False  
  6    6  ?         107.7   164.7  Favored   3   4  0.39   5  0.24  molprobity     ?  False  
  7    7  pttp      -85.4     6.0  Favored  13   9  0.50  11  0.53  molprobity     ?  False  
  8    8  p-10      -99.3   -23.1  Favored   6   8  0.33  11  0.32  molprobity     ?  False  
  9    9  t         -47.9   -48.9  Favored   5   6  0.23   8  0.34  molprobity     1  True   
 10   10  p-90      -57.6   -31.5  Favored  10  16  0.23  23  0.43  molprobity     1  True   
 11   11  ttpt      -82.9   -30.3  Favored  13   9  0.64  11  0.56  molprobity     1  True   
 12   12  m         -68.0   -31.9  Favored   7   7  0.44  10  0.79  molprobity     1  True   
 13   13  mt        -68.2   -30.1  Favored  11   8  0.52  11  1.05  molprobity     1  True   
 14   14  t80       -87.3   -50.9  Favored   9  13  0.90  18  0.72  molprobity     1  True   
 15   15  pp        -63.5   -23.1  Favored  11   8  0.27  11  0.58  molprobity     1  True   
 16   16  tmmm?     -78.6   -45.4  Favored  13   9  0.38  11  0.71  molprobity     1  True   
 17   17  tp        -56.3   -34.0  Favored  11   8  0.62  11  0.69  molprobity     1  True   
 18   18  t         -86.7   -36.1  Favored   5   6  0.55   8  0.71  molprobity     1  True   
 19   19  OUTLIER   -54.5   -61.7  Favored   9  12  0.48  16  0.60  molprobity     1  True   
 20   20  pt?       -73.1   -22.9  Favored  11   8  0.29  11  0.68  molprobity     1  True   
 21   21  ?         -68.9   -12.0  Favored   3   4  0.72   5  0.63  molprobity     1  True   
 22   22  m         -84.8   -46.5  Favored   5   6  0.54   8  1.09  molprobity     1  True   
 23   23  mtpp      -52.7   -42.6  Favored  13   9  0.78  11  0.88  molprobity     1  True   
 24   24  t         -81.0   -25.1  Favored   9   7  0.76  10  0.51  molprobity     1  True   
 25   25  OUTLIER   -61.9   -35.2  Favored   9   7  0.62  10  0.78  molprobity     1  True   
 26   26  ?         -64.5   -31.1  Favored   5   5  0.52   7  0.47  molprobity     1  True   
 27   27  pp        -90.5   -29.1  Favored  11   8  0.31  11  0.54  molprobity     1  True   
 28   28  OUTLIER   -85.5   -68.2  Allowed  11   8  0.19  11  0.56  molprobity     1  True   
 29   29  mttm      -85.4   -32.6  Favored  13   9  0.36  11  0.69  molprobity     1  True   
 30   30  mtp180        ?       ?  ?        13  11  0.48  11  0.35  molprobity     1  True   
 31   31  ttp           ?       ?  ?        11   8  0.44  10  0.35  molprobity     ?  False  
 32   32  ?          54.4    78.6  Allowed   5   5  0.35   7  0.27  molprobity     ?  False  
 33   33  t        -105.0   122.2  Favored   7   7  0.39  10  0.54  molprobity     ?  False  
 34   34  ttpt     -117.5    94.3  Favored  13   9  0.33  11  0.29  molprobity     ?  False  
 35   35  t-80      -91.7    66.9  Favored   7  11  0.20  15  0.32  molprobity     ?  False  
 36   36  ?         -81.4   157.1  Favored   3   4  0.55   5  0.22  molprobity     ?  False  
 37   37  tptm      -83.1    11.3  Favored  13   9  0.35  11  0.42  molprobity     ?  False  
 38   38  p30      -114.4   -22.8  Favored   6   8  0.27  11  0.34  molprobity     ?  False  
 39   39  m         -47.6   -44.2  Favored   5   6  0.19   8  0.41  molprobity     1  True   
 40   40  p-90      -59.7   -31.9  Favored  10  16  0.24  23  0.41  molprobity     1  True   
 41   41  ttpt      -82.3   -28.8  Favored  13   9  0.67  11  0.59  molprobity     1  True   
 42   42  m         -69.6   -31.9  Favored   7   7  0.41  10  0.75  molprobity     1  True   
 43   43  mt        -67.5   -30.7  Favored  11   8  0.51  11  1.04  molprobity     1  True   
 44   44  t80       -87.1   -49.9  Favored   9  13  0.93  18  0.76  molprobity     1  True   
 45   45  pp        -64.5   -22.9  Favored  11   8  0.32  11  0.55  molprobity     1  True   
 46   46  OUTLIER   -78.1   -49.6  Favored  13   9  0.43  11  0.78  molprobity     1  True   
 47   47  OUTLIER   -52.6   -35.1  Favored  11   8  0.65  11  0.73  molprobity     1  True   
 48   48  t         -87.0   -32.6  Favored   5   6  0.62   8  0.69  molprobity     1  True   
 49   49  OUTLIER   -59.2   -60.1  Favored   9  12  0.47  16  0.58  molprobity     1  True   
 50   50  pt?       -72.6   -23.4  Favored  11   8  0.26  11  0.72  molprobity     1  True   
 51   51  ?         -70.4    -9.8  Favored   3   4  0.72   5  0.49  molprobity     1  True   
 52   52  m         -83.1   -48.9  Favored   5   6  0.56   8  1.13  molprobity     1  True   
 53   53  mttm      -55.8   -40.3  Favored  13   9  0.82  11  0.72  molprobity     1  True   
 54   54  t         -80.2   -23.3  Favored   9   7  0.76  10  0.55  molprobity     1  True   
 55   55  OUTLIER   -63.1   -35.1  Favored   9   7  0.61  10  0.85  molprobity     1  True   
 56   56  ?         -64.7   -30.1  Favored   5   5  0.45   7  0.45  molprobity     1  True   
 57   57  pp        -91.3   -29.1  Favored  11   8  0.30  11  0.55  molprobity     1  True   
 58   58  OUTLIER   -84.1   -68.8  Allowed  11   8  0.15  11  0.54  molprobity     1  True   
 59   59  mttm      -85.6   -31.8  Favored  13   9  0.37  11  0.72  molprobity     1  True   
 60   60  mtm180        ?       ?  ?        13  11  0.43  11  0.41  molprobity     1  True   
 61   61  ttt           ?       ?  ?        11   8  0.43  10  0.26  molprobity     ?  False  
 62   62  ?         -78.4  -178.1  Favored   5   5  0.14   7  0.39  molprobity     ?  False  
 63   63  p          51.1    82.7  Allowed   7   7  0.43  10  0.75  molprobity     ?  False  
 64   64  mmtt      -76.1    67.3  Favored  13   9  0.29  11  0.33  molprobity     ?  False  
 65   65  t-80     -137.6    85.6  Favored   7  11  0.18  15  0.27  molprobity     ?  False  
 66   66  ?        -147.7   145.8  Favored   3   4  0.45   5  0.32  molprobity     ?  False  
 67   67  ptmt      -85.2    64.4  Favored  13   9  0.43  11  0.44  molprobity     ?  False  
 68   68  p30      -139.3   -37.5  Allowed   6   8  0.37  11  0.22  molprobity     ?  False  
 69   69  t         -48.1   -46.4  Favored   5   6  0.27   8  0.22  molprobity     1  True   
 70   70  p-90      -59.3   -31.4  Favored  10  16  0.26  23  0.46  molprobity     1  True   
 71   71  ttpt      -83.2   -28.5  Favored  13   9  0.64  11  0.61  molprobity     1  True   
 72   72  m         -70.1   -31.3  Favored   7   7  0.44  10  0.79  molprobity     1  True   
 73   73  mt        -67.5   -30.2  Favored  11   8  0.51  11  1.04  molprobity     1  True   
 74   74  t80       -87.9   -49.6  Favored   9  13  0.97  18  0.80  molprobity     1  True   
 75   75  pp        -63.3   -24.6  Favored  11   8  0.32  11  0.58  molprobity     1  True   
 76   76  OUTLIER   -78.0   -47.7  Favored  13   9  0.38  11  0.71  molprobity     1  True   
 77   77  tp        -53.4   -34.9  Favored  11   8  0.63  11  0.74  molprobity     1  True   
 78   78  m         -86.7   -33.9  Favored   5   6  0.60   8  0.76  molprobity     1  True   
 79   79  OUTLIER   -57.9   -62.4  Allowed   9  12  0.46  16  0.59  molprobity     1  True   
 80   80  pt?       -72.1   -23.9  Favored  11   8  0.33  11  0.61  molprobity     1  True   
 81   81  ?         -67.2   -11.2  Favored   3   4  0.75   5  0.60  molprobity     1  True   
 82   82  m         -84.8   -48.1  Favored   5   6  0.55   8  1.10  molprobity     1  True   
 83   83  mtpp      -56.6   -40.3  Favored  13   9  0.78  11  0.81  molprobity     1  True   
 84   84  t         -80.7   -24.1  Favored   9   7  0.75  10  0.54  molprobity     1  True   
 85   85  OUTLIER   -62.1   -37.1  Favored   9   7  0.61  10  0.81  molprobity     1  True   
 86   86  ?         -63.3   -29.5  Favored   5   5  0.41   7  0.45  molprobity     1  True   
 87   87  pp        -90.3   -29.3  Favored  11   8  0.28  11  0.56  molprobity     1  True   
 88   88  OUTLIER   -84.8   -69.5  Allowed  11   8  0.24  11  0.59  molprobity     1  True   
 89   89  mttt      -86.9   -28.2  Favored  13   9  0.34  11  0.68  molprobity     1  True   
 90   90  mtt180        ?       ?  ?        13  11  0.47  11  0.34  molprobity     1  True   
 91   91  mtt           ?       ?  ?        11   8  0.50  10  0.31  molprobity     ?  False  
 92   92  ?          60.6    24.6  Favored   5   5  0.27   7  0.30  molprobity     ?  False  
 93   93  m         -81.5   117.0  Favored   7   7  0.36  10  0.48  molprobity     ?  False  
 94   94  mttp      -97.1    83.4  Favored  13   9  0.35  11  0.43  molprobity     ?  False  
 95   95  m-70       52.5    58.0  Favored   7  11  0.21  15  0.30  molprobity     ?  False  
 96   96  ?         -90.5   150.8  Favored   3   4  0.43   5  0.27  molprobity     ?  False  
 97   97  pttp      -78.1    62.9  Favored  13   9  0.62  11  0.56  molprobity     ?  False  
 98   98  m-20     -122.8   -19.1  Favored   6   8  0.38  11  0.24  molprobity     ?  False  
 99   99  m         -53.5   -37.7  Favored   5   6  0.19   8  0.28  molprobity     1  True   
100  100  p-90      -60.3   -33.0  Favored  10  16  0.25  23  0.48  molprobity     1  True   
101  101  ttpt      -81.4   -27.2  Favored  13   9  0.64  11  0.65  molprobity     1  True   
102  102  m         -70.4   -35.5  Favored   7   7  0.40  10  0.62  molprobity     1  True   
103  103  mt        -64.0   -28.9  Favored  11   8  0.54  11  1.05  molprobity     1  True   
104  104  t80       -88.1   -47.6  Favored   9  13  1.08  18  0.83  molprobity     1  True   
105  105  pp        -66.7   -23.4  Favored  11   8  0.38  11  0.58  molprobity     1  True   
106  106  tmmm?     -78.5   -45.1  Favored  13   9  0.37  11  0.72  molprobity     1  True   
107  107  tp        -53.2   -36.3  Favored  11   8  0.61  11  0.70  molprobity     1  True   
108  108  m         -87.0   -31.9  Favored   5   6  0.55   8  0.70  molprobity     1  True   
109  109  OUTLIER   -59.1   -59.1  Favored   9  12  0.45  16  0.57  molprobity     1  True   
110  110  pt?       -73.2   -24.0  Favored  11   8  0.32  11  0.65  molprobity     1  True   
111  111  ?         -67.2   -10.6  Favored   3   4  0.70   5  0.62  molprobity     1  True   
112  112  m         -85.2   -47.6  Favored   5   6  0.46   8  0.93  molprobity     1  True   
113  113  mttm      -55.6   -39.4  Favored  13   9  0.74  11  0.78  molprobity     1  True   
114  114  t         -82.2   -22.6  Favored   9   7  0.79  10  0.53  molprobity     1  True   
115  115  OUTLIER   -63.5   -34.5  Favored   9   7  0.57  10  0.80  molprobity     1  True   
116  116  ?         -64.0   -31.9  Favored   5   5  0.44   7  0.41  molprobity     1  True   
117  117  pp        -90.8   -28.9  Favored  11   8  0.26  11  0.53  molprobity     1  True   
118  118  OUTLIER   -84.8   -67.7  Allowed  11   8  0.16  11  0.52  molprobity     1  True   
119  119  mmtt      -82.5   -35.0  Favored  13   9  0.36  11  0.79  molprobity     1  True   
120  120  mtm180        ?       ?  ?        13  11  0.42  11  0.45  molprobity     1  True   
121  121  mtp           ?       ?  ?        11   8  0.47  10  0.35  molprobity     ?  False  
122  122  ?          60.0    27.0  Favored   5   5  0.32   7  0.56  molprobity     ?  False  
123  123  m         -86.1   139.2  Favored   7   7  0.36  10  0.38  molprobity     ?  False  
124  124  mmtm      -91.3    61.7  Favored  13   9  0.29  11  0.33  molprobity     ?  False  
125  125  t-80     -116.8    40.2  Favored   7  11  0.21  15  0.39  molprobity     ?  False  
126  126  ?         -72.8   112.2  Favored   3   4  0.50   5  0.29  molprobity     ?  False  
127  127  ptmt      -80.6     2.4  Favored  13   9  0.49  11  0.53  molprobity     ?  False  
128  128  p-10     -106.4   -17.4  Favored   6   8  0.31  11  0.27  molprobity     ?  False  
129  129  m         -50.9   -38.9  Favored   5   6  0.16   8  0.40  molprobity     1  True   
130  130  p-90      -60.0   -32.2  Favored  10  16  0.26  23  0.47  molprobity     1  True   
131  131  ttpt      -82.9   -28.4  Favored  13   9  0.62  11  0.58  molprobity     1  True   
132  132  OUTLIER   -67.8   -37.2  Favored   7   7  0.39  10  0.85  molprobity     1  True   
133  133  mt        -63.4   -30.6  Favored  11   8  0.57  11  1.07  molprobity     1  True   
134  134  t80       -87.2   -47.7  Favored   9  13  0.91  18  0.75  molprobity     1  True   
135  135  pp        -67.2   -21.4  Favored  11   8  0.26  11  0.59  molprobity     1  True   
136  136  tmmm?     -80.3   -45.5  Favored  13   9  0.38  11  0.71  molprobity     1  True   
137  137  tp        -55.2   -34.9  Favored  11   8  0.60  11  0.71  molprobity     1  True   
138  138  t         -86.7   -32.7  Favored   5   6  0.60   8  0.61  molprobity     1  True   
139  139  OUTLIER   -55.3   -62.1  Allowed   9  12  0.45  16  0.52  molprobity     1  True   
140  140  pt?       -72.2   -24.1  Favored  11   8  0.25  11  0.67  molprobity     1  True   
141  141  ?         -69.3   -10.1  Favored   3   4  0.68   5  0.56  molprobity     1  True   
142  142  m         -84.3   -46.8  Favored   5   6  0.56   8  1.04  molprobity     1  True   
143  143  mttt      -55.7   -41.3  Favored  13   9  0.78  11  0.75  molprobity     1  True   
144  144  t         -79.6   -22.9  Favored   9   7  0.74  10  0.54  molprobity     1  True   
145  145  OUTLIER   -63.1   -34.5  Favored   9   7  0.57  10  0.83  molprobity     1  True   
146  146  ?         -66.6   -27.7  Favored   5   5  0.42   7  0.41  molprobity     1  True   
147  147  pp        -91.2   -29.2  Favored  11   8  0.27  11  0.59  molprobity     1  True   
148  148  OUTLIER   -84.9   -68.7  Allowed  11   8  0.20  11  0.54  molprobity     1  True   
149  149  mmtt      -85.0   -30.7  Favored  13   9  0.36  11  0.76  molprobity     1  True   
150  150  mtt180        ?       ?  ?        13  11  0.52  11  0.48  molprobity     1  True   
151  151  ttt           ?       ?  ?        11   8  0.52  10  0.30  molprobity     ?  False  
152  152  ?        -141.6   148.1  Favored   5   5  0.35   7  0.34  molprobity     ?  False  
153  153  t        -147.2   127.9  Favored   7   7  0.43  10  0.41  molprobity     ?  False  
154  154  ptpt     -145.5    34.9  Allowed  13   9  0.29  11  0.36  molprobity     ?  False  
155  155  p-80     -127.6   152.3  Favored   7  11  0.23  15  0.33  molprobity     ?  False  
156  156  ?          78.0  -161.3  Favored   3   4  0.36   5  0.23  molprobity     ?  False  
157  157  ptpp?    -112.4    83.4  Allowed  13   9  0.30  11  0.35  molprobity     ?  False  
158  158  p-10     -125.8   -29.5  Favored   6   8  0.29  11  0.18  molprobity     ?  False  
159  159  t         -51.5   -43.9  Favored   5   6  0.26   8  0.16  molprobity     1  True   
160  160  p-90      -59.0   -33.8  Favored  10  16  0.21  23  0.39  molprobity     1  True   
161  161  ttpt      -79.6   -28.0  Favored  13   9  0.67  11  0.64  molprobity     1  True   
162  162  m         -72.1   -29.6  Favored   7   7  0.46  10  0.76  molprobity     1  True   
163  163  mt        -69.0   -29.6  Favored  11   8  0.53  11  1.11  molprobity     1  True   
164  164  t80       -87.0   -49.4  Favored   9  13  0.96  18  0.76  molprobity     1  True   
165  165  pp        -64.6   -23.6  Favored  11   8  0.36  11  0.55  molprobity     1  True   
166  166  OUTLIER   -78.7   -45.9  Favored  13   9  0.38  11  0.73  molprobity     1  True   
167  167  tp        -53.8   -35.0  Favored  11   8  0.68  11  0.74  molprobity     1  True   
168  168  m         -86.7   -33.3  Favored   5   6  0.61   8  0.77  molprobity     1  True   
169  169  OUTLIER   -58.9   -60.3  Favored   9  12  0.48  16  0.59  molprobity     1  True   
170  170  pt?       -72.0   -23.6  Favored  11   8  0.25  11  0.64  molprobity     1  True   
171  171  ?         -67.5   -10.5  Favored   3   4  0.62   5  0.60  molprobity     1  True   
172  172  m         -84.8   -47.4  Favored   5   6  0.50   8  0.89  molprobity     1  True   
173  173  mttm      -56.6   -38.7  Favored  13   9  0.74  11  0.76  molprobity     1  True   
174  174  t         -79.6   -22.0  Favored   9   7  0.72  10  0.56  molprobity     1  True   
175  175  OUTLIER   -63.8   -38.5  Favored   9   7  0.53  10  0.80  molprobity     1  True   
176  176  ?         -63.3   -26.4  Favored   5   5  0.45   7  0.46  molprobity     1  True   
177  177  pp        -91.7   -27.1  Favored  11   8  0.25  11  0.55  molprobity     1  True   
178  178  OUTLIER   -84.3   -71.4  Allowed  11   8  0.23  11  0.48  molprobity     1  True   
179  179  ptmt      -88.5   -26.9  Favored  13   9  0.36  11  0.63  molprobity     1  True   
180  180  mtm180        ?       ?  ?        13  11  0.41  11  0.43  molprobity     1  True   
181  181  mmm           ?       ?  ?        11   8  0.44  10  0.25  molprobity     ?  False  
182  182  ?        -130.5   147.7  Favored   5   5  0.20   7  0.45  molprobity     ?  False  
183  183  p          48.5    46.8  Favored   7   7  0.37  10  0.63  molprobity     ?  False  
184  184  mtpm?     -89.3    14.3  Favored  13   9  0.39  11  0.43  molprobity     ?  False  
185  185  p-80     -138.5   146.1  Favored   7  11  0.23  15  0.31  molprobity     ?  False  
186  186  ?         144.1   -31.9  Allowed   3   4  0.46   5  0.56  molprobity     ?  False  
187  187  ptpp?     -76.5    93.5  Favored  13   9  0.33  11  0.35  molprobity     ?  False  
188  188  p30      -119.0   -23.2  Favored   6   8  0.29  11  0.20  molprobity     ?  False  
189  189  m         -53.6   -38.6  Favored   5   6  0.17   8  0.27  molprobity     1  True   
190  190  p-90      -61.1   -33.0  Favored  10  16  0.27  23  0.46  molprobity     1  True   
191  191  ttpt      -82.8   -27.7  Favored  13   9  0.67  11  0.61  molprobity     1  True   
192  192  m         -69.5   -31.5  Favored   7   7  0.44  10  0.74  molprobity     1  True   
193  193  mt        -66.7   -29.0  Favored  11   8  0.57  11  1.10  molprobity     1  True   
194  194  t80       -86.9   -48.5  Favored   9  13  0.99  18  0.78  molprobity     1  True   
195  195  pp        -66.3   -21.2  Favored  11   8  0.30  11  0.64  molprobity     1  True   
196  196  tmmm?     -81.1   -40.0  Favored  13   9  0.37  11  0.63  molprobity     1  True   
197  197  tp        -59.4   -30.5  Favored  11   8  0.61  11  0.71  molprobity     1  True   
198  198  t         -85.9   -34.9  Favored   5   6  0.61   8  0.83  molprobity     1  True   
199  199  OUTLIER   -57.7   -60.3  Favored   9  12  0.48  16  0.62  molprobity     1  True   
200  200  pt?       -72.2   -23.7  Favored  11   8  0.27  11  0.63  molprobity     1  True   
201  201  ?         -67.6   -10.6  Favored   3   4  0.75   5  0.58  molprobity     1  True   
202  202  m         -85.5   -46.1  Favored   5   6  0.54   8  0.98  molprobity     1  True   
203  203  mttm      -54.8   -40.0  Favored  13   9  0.75  11  0.80  molprobity     1  True   
204  204  t         -83.6   -22.7  Favored   9   7  0.73  10  0.51  molprobity     1  True   
205  205  OUTLIER   -64.3   -35.0  Favored   9   7  0.65  10  0.89  molprobity     1  True   
206  206  ?         -63.9   -27.5  Favored   5   5  0.45   7  0.46  molprobity     1  True   
207  207  pp        -91.8   -30.7  Favored  11   8  0.29  11  0.61  molprobity     1  True   
208  208  OUTLIER   -84.2   -67.6  Allowed  11   8  0.18  11  0.52  molprobity     1  True   
209  209  mtpt      -84.6   -34.5  Favored  13   9  0.39  11  0.72  molprobity     1  True   
210  210  mtt180        ?       ?  ?        13  11  0.47  11  0.33  molprobity     1  True   
211  211  tpt           ?       ?  ?        11   8  0.41  10  0.33  molprobity     ?  False  
212  212  ?          53.6    53.2  Favored   5   5  0.26   7  0.33  molprobity     ?  False  
213  213  t         -69.9   148.2  Favored   7   7  0.44  10  0.54  molprobity     ?  False  
214  214  mttp      -90.0    93.3  Favored  13   9  0.34  11  0.31  molprobity     ?  False  
215  215  t-80      -91.1    68.7  Favored   7  11  0.19  15  0.27  molprobity     ?  False  
216  216  ?         146.5   175.8  Favored   3   4  0.53   5  0.32  molprobity     ?  False  
217  217  pttt      -85.2    85.9  Favored  13   9  0.29  11  0.29  molprobity     ?  False  
218  218  p-10     -116.6   -24.9  Favored   6   8  0.28  11  0.30  molprobity     ?  False  
219  219  m         -48.2   -45.5  Favored   5   6  0.13   8  0.38  molprobity     1  True   
220  220  p-90      -58.2   -32.1  Favored  10  16  0.22  23  0.41  molprobity     1  True   
221  221  ttpt      -82.8   -28.4  Favored  13   9  0.68  11  0.62  molprobity     1  True   
222  222  m         -73.5   -28.1  Favored   7   7  0.42  10  0.69  molprobity     1  True   
223  223  mt        -68.8   -29.4  Favored  11   8  0.51  11  1.10  molprobity     1  True   
224  224  t80       -87.2   -51.1  Favored   9  13  0.90  18  0.75  molprobity     1  True   
225  225  pp        -62.8   -22.8  Favored  11   8  0.31  11  0.58  molprobity     1  True   
226  226  tmmm?     -80.2   -46.3  Favored  13   9  0.38  11  0.72  molprobity     1  True   
227  227  tp        -55.2   -34.4  Favored  11   8  0.59  11  0.69  molprobity     1  True   
228  228  t         -86.1   -35.6  Favored   5   6  0.58   8  0.70  molprobity     1  True   
229  229  OUTLIER   -55.7   -62.7  Allowed   9  12  0.48  16  0.58  molprobity     1  True   
230  230  pt?       -74.3   -23.3  Favored  11   8  0.32  11  0.64  molprobity     1  True   
231  231  ?         -66.5   -11.3  Favored   3   4  0.70   5  0.65  molprobity     1  True   
232  232  m         -84.8   -47.5  Favored   5   6  0.59   8  1.04  molprobity     1  True   
233  233  mtpp      -54.8   -42.7  Favored  13   9  0.79  11  0.80  molprobity     1  True   
234  234  t         -79.2   -22.7  Favored   9   7  0.67  10  0.52  molprobity     1  True   
235  235  OUTLIER   -60.5   -35.9  Favored   9   7  0.56  10  0.79  molprobity     1  True   
236  236  ?         -63.4   -30.9  Favored   5   5  0.36   7  0.48  molprobity     1  True   
237  237  pp        -89.7   -26.8  Favored  11   8  0.31  11  0.60  molprobity     1  True   
238  238  OUTLIER   -85.2   -71.0  Allowed  11   8  0.17  11  0.56  molprobity     1  True   
239  239  mttp      -87.8   -28.5  Favored  13   9  0.38  11  0.68  molprobity     1  True   
240  240  mtt180        ?       ?  ?        13  11  0.46  11  0.47  molprobity     1  True   
241  241  mpp?          ?       ?  ?        11   8  0.41  10  0.40  molprobity     ?  False  
242  242  ?          56.4    39.5  Favored   5   5  0.16   7  0.50  molprobity     ?  False  
243  243  p          49.8    49.2  Favored   7   7  0.33  10  0.66  molprobity     ?  False  
244  244  tttm      -73.3    96.4  Favored  13   9  0.29  11  0.26  molprobity     ?  False  
245  245  m80       -89.6    96.1  Favored   7  11  0.21  15  0.29  molprobity     ?  False  
246  246  ?         -73.7   162.6  Favored   3   4  0.28   5  0.23  molprobity     ?  False  
247  247  tptp      -84.4     2.2  Favored  13   9  0.40  11  0.54  molprobity     ?  False  
248  248  p-10     -130.8   -30.4  Allowed   6   8  0.27  11  0.39  molprobity     ?  False  
249  249  t         -43.4   -44.1  Favored   5   6  0.25   8  0.31  molprobity     1  True   
250  250  p-90      -57.4   -32.2  Favored  10  16  0.24  23  0.39  molprobity     1  True   
251  251  ttpt      -83.2   -30.0  Favored  13   9  0.68  11  0.63  molprobity     1  True   
252  252  m         -70.3   -32.4  Favored   7   7  0.46  10  0.66  molprobity     1  True   
253  253  mt        -66.3   -30.1  Favored  11   8  0.50  11  1.13  molprobity     1  True   
254  254  t80       -87.1   -50.4  Favored   9  13  0.91  18  0.75  molprobity     1  True   
255  255  pp        -63.5   -23.3  Favored  11   8  0.29  11  0.55  molprobity     1  True   
256  256  OUTLIER   -80.5   -44.2  Favored  13   9  0.43  11  0.68  molprobity     1  True   
257  257  tp        -56.2   -35.4  Favored  11   8  0.61  11  0.67  molprobity     1  True   
258  258  t         -87.9   -33.1  Favored   5   6  0.46   8  0.72  molprobity     1  True   
259  259  OUTLIER   -57.2   -57.4  Favored   9  12  0.50  16  0.61  molprobity     1  True   
260  260  pt?       -73.2   -24.0  Favored  11   8  0.29  11  0.65  molprobity     1  True   
261  261  ?         -67.8   -11.5  Favored   3   4  0.69   5  0.66  molprobity     1  True   
262  262  m         -84.9   -46.2  Favored   5   6  0.49   8  0.90  molprobity     1  True   
263  263  mttt      -55.0   -40.4  Favored  13   9  0.74  11  0.85  molprobity     1  True   
264  264  t         -80.3   -22.8  Favored   9   7  0.79  10  0.53  molprobity     1  True   
265  265  OUTLIER   -61.5   -36.0  Favored   9   7  0.58  10  0.84  molprobity     1  True   
266  266  ?         -64.0   -30.3  Favored   5   5  0.42   7  0.44  molprobity     1  True   
267  267  pp        -91.0   -29.3  Favored  11   8  0.29  11  0.56  molprobity     1  True   
268  268  OUTLIER   -85.0   -69.3  Allowed  11   8  0.17  11  0.59  molprobity     1  True   
269  269  mmtt      -86.5   -29.2  Favored  13   9  0.33  11  0.67  molprobity     1  True   
270  270  mtt180        ?       ?  ?        13  11  0.49  11  0.43  molprobity     1  True   
271  271  OUTLIER       ?       ?  ?        11   8  0.49  10  0.39  molprobity     ?  False  
272  272  ?        -121.4    13.3  Favored   5   5  0.26   7  0.27  molprobity     ?  False  
273  273  p         -89.2    13.0  Favored   7   7  0.24  10  0.53  molprobity     ?  False  
274  274  mmtm       60.3    35.1  Favored  13   9  0.28  11  0.41  molprobity     ?  False  
275  275  t-80     -131.2   132.0  Favored   7  11  0.20  15  0.32  molprobity     ?  False  
276  276  ?          79.1    38.0  Favored   3   4  0.51   5  0.41  molprobity     ?  False  
277  277  mtpp      -96.9    -1.9  Favored  13   9  0.50  11  0.38  molprobity     ?  False  
278  278  p-10     -148.2   -34.2  Allowed   6   8  0.32  11  0.25  molprobity     ?  False  
279  279  m         -48.9   -43.8  Favored   5   6  0.16   8  0.25  molprobity     1  True   
280  280  p-90      -60.2   -32.0  Favored  10  16  0.28  23  0.46  molprobity     1  True   
281  281  ttpt      -83.1   -26.9  Favored  13   9  0.69  11  0.65  molprobity     1  True   
282  282  m         -72.0   -28.3  Favored   7   7  0.43  10  0.77  molprobity     1  True   
283  283  mt        -69.1   -29.7  Favored  11   8  0.48  11  1.06  molprobity     1  True   
284  284  t80       -87.4   -49.5  Favored   9  13  0.97  18  0.76  molprobity     1  True   
285  285  pp        -65.4   -20.9  Favored  11   8  0.30  11  0.61  molprobity     1  True   
286  286  tmmm?     -79.9   -43.6  Favored  13   9  0.37  11  0.66  molprobity     1  True   
287  287  tp        -56.7   -32.4  Favored  11   8  0.59  11  0.71  molprobity     1  True   
288  288  t         -86.0   -33.8  Favored   5   6  0.55   8  0.80  molprobity     1  True   
289  289  OUTLIER   -58.9   -61.6  Favored   9  12  0.48  16  0.59  molprobity     1  True   
290  290  pt?       -70.6   -24.4  Favored  11   8  0.25  11  0.63  molprobity     1  True   
291  291  ?         -67.2   -11.4  Favored   3   4  0.76   5  0.53  molprobity     1  True   
292  292  m         -83.6   -47.7  Favored   5   6  0.55   8  1.04  molprobity     1  True   
293  293  mttm      -57.4   -40.4  Favored  13   9  0.83  11  0.76  molprobity     1  True   
294  294  t         -79.6   -21.7  Favored   9   7  0.68  10  0.50  molprobity     1  True   
295  295  OUTLIER   -61.1   -35.2  Favored   9   7  0.53  10  0.80  molprobity     1  True   
296  296  ?         -63.9   -31.4  Favored   5   5  0.42   7  0.45  molprobity     1  True   
297  297  pp        -91.9   -26.9  Favored  11   8  0.29  11  0.54  molprobity     1  True   
298  298  OUTLIER   -84.3   -68.1  Allowed  11   8  0.18  11  0.48  molprobity     1  True   
299  299  mttp      -84.1   -36.0  Favored  13   9  0.37  11  0.76  molprobity     1  True   
300  300  mtm180        ?       ?  ?        13  11  0.45  11  0.43  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   13  O      1  0.44  2.12  
  2   16  HD2    2  0.51  2.26  
  3   16  C      2  0.51  2.26  
  4   17  HB     1  0.44  2.12  
  5   20  O      3  0.49  2.07  
  6   24  HG23   3  0.49  2.07  
  7   24  O      4  0.40  2.14  
  8   27  HG     4  0.40  2.14  
  9   28  CD2    5  0.40  2.46  
 10   29  HG3    5  0.40  2.46  
 11   43  O      6  0.45  2.11  
 12   46  HD2    7  0.51  2.26  
 13   46  C      7  0.51  2.26  
 14   47  HB     6  0.45  2.11  
 15   50  O      8  0.50  2.06  
 16   54  HG23   8  0.50  2.06  
 17   54  O      9  0.42  2.14  
 18   56  O     10  0.41  2.15  
 19   57  HG     9  0.42  2.14  
 20   60  HG2   10  0.41  2.15  
 21   73  O     11  0.43  2.13  
 22   76  HD2   12  0.47  2.29  
 23   76  C     12  0.47  2.29  
 24   77  HB    11  0.43  2.13  
 25   79  CG    13  0.42  2.88  
 26   80  O     14  0.54  2.03  
 27   80  N     13  0.42  2.88  
 28   84  HG23  14  0.54  2.03  
 29   84  O     15  0.46  2.10  
 30   86  O     16  0.41  2.15  
 31   87  HG    15  0.46  2.10  
 32   90  HA    16  0.41  2.15  
 33  102  HA    17  0.42  2.44  
 34  103  O     18  0.42  2.14  
 35  104  O     19  0.45  2.12  
 36  105  CD2   17  0.42  2.44  
 37  106  HD2   20  0.52  2.25  
 38  106  C     20  0.52  2.25  
 39  107  HG22  19  0.45  2.12  
 40  107  HB    18  0.42  2.14  
 41  110  O     21  0.52  2.05  
 42  114  HG23  21  0.52  2.05  
 43  114  O     22  0.40  2.15  
 44  117  HG    22  0.40  2.15  
 45  118  CD2   23  0.43  2.44  
 46  119  HG2   23  0.43  2.44  
 47  129  O     24  0.43  2.13  
 48  133  O     25  0.46  2.11  
 49  133  HG    24  0.43  2.13  
 50  136  HD2   26  0.52  2.26  
 51  136  C     26  0.52  2.26  
 52  137  HB    25  0.46  2.11  
 53  140  O     27  0.48  2.07  
 54  144  HG23  27  0.48  2.07  
 55  144  O     28  0.43  2.12  
 56  147  HG    28  0.43  2.12  
 57  163  O     29  0.43  2.12  
 58  164  O     30  0.42  2.15  
 59  166  HD2   31  0.46  2.32  
 60  166  C     31  0.46  2.32  
 61  167  HB    29  0.43  2.12  
 62  167  HG22  30  0.42  2.15  
 63  170  O     32  0.52  2.05  
 64  174  HG23  32  0.52  2.05  
 65  174  O     33  0.46  2.09  
 66  175  HG13  34  0.41  2.45  
 67  176  O     35  0.43  2.13  
 68  177  HG    33  0.46  2.09  
 69  179  CG    34  0.41  2.45  
 70  180  HG2   35  0.43  2.13  
 71  194  O     36  0.43  2.13  
 72  196  HD2   37  0.53  2.24  
 73  196  C     37  0.53  2.24  
 74  197  HG22  36  0.43  2.13  
 75  200  O     38  0.47  2.09  
 76  204  HG23  38  0.47  2.09  
 77  204  O     39  0.42  2.13  
 78  206  O     40  0.43  2.14  
 79  207  HG    39  0.42  2.13  
 80  210  HG2   40  0.43  2.14  
 81  219  O     41  0.40  2.16  
 82  222  HA    42  0.41  2.46  
 83  223  O     43  0.44  2.11  
 84  223  HG    41  0.40  2.16  
 85  225  CD2   42  0.41  2.46  
 86  226  HD2   44  0.51  2.25  
 87  226  C     44  0.51  2.25  
 88  227  HB    43  0.44  2.11  
 89  230  O     45  0.52  2.05  
 90  234  HG23  45  0.52  2.05  
 91  234  O     46  0.42  2.14  
 92  237  HG    46  0.42  2.14  
 93  249  O     47  0.41  2.16  
 94  253  O     48  0.47  2.10  
 95  253  HG    47  0.41  2.16  
 96  256  HD2   49  0.54  2.23  
 97  256  C     49  0.54  2.23  
 98  257  HB    48  0.47  2.10  
 99  260  O     50  0.51  2.05  
100  264  HG23  50  0.51  2.05  
101  264  O     51  0.41  2.15  
102  267  HG    51  0.41  2.15  
103  268  CD2   52  0.44  2.43  
104  269  HG2   52  0.44  2.43  
105  284  O     53  0.41  2.16  
106  286  HD2   54  0.54  2.22  
107  286  C     54  0.54  2.22  
108  287  HG22  53  0.41  2.16  
109  289  CG    55  0.40  2.89  
110  290  O     56  0.51  2.05  
111  290  N     55  0.40  2.89  
112  294  HG23  56  0.51  2.05  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1  ?     
 2  2  ?     
 3  1  ?     
 4  1  ?     
 5  2  True  
 6  1  True  
 7  1  ?     
 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  22
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.170
_pdbx_vrpt_cyrange_domain.medoid_model        6
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.206
_pdbx_vrpt_cyrange_domain.residue_string      A:9-A:30
#
_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                        V1star
_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           254
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           254
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            254
_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  MET   1  0.390  
 2  A  ALA   2  0.344  
 3  A  THR   3  0.306  
 4  A  LYS   4  0.251  
 5  A  HIS   5  0.247  
 6  A  GLY   6  0.217  
 7  A  LYS   7  0.210  
 8  A  ASN   8  0.171  
 9  A  SER   9  0.120  
10  A  TRP  10  0.061  
11  A  LYS  11  0.027  
12  A  THR  12  0.025  
13  A  LEU  13  0.025  
14  A  TYR  14  0.023  
15  A  LEU  15  0.020  
16  A  LYS  16  0.020  
17  A  ILE  17  0.022  
18  A  SER  18  0.025  
19  A  PHE  19  0.028  
20  A  LEU  20  0.028  
21  A  GLY  21  0.027  
22  A  CYS  22  0.024  
23  A  LYS  23  0.020  
24  A  VAL  24  0.016  
25  A  VAL  25  0.015  
26  A  ALA  26  0.019  
27  A  LEU  27  0.029  
28  A  LEU  28  0.040  
29  A  LYS  29  0.047  
#
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  0.45  0.47  28  
#
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    7    7  stereomethyl  stereomethyl  
 2  198  140  338  overall       Total         
 3   64   47  111  backbone      Total         
 4  119   77  196  sidechain     Total         
 5   15   16   31  aromatic      Total         
 6  176   14  190  overall       H             
 7   43    2   45  backbone      H             
 8  119   11  130  sidechain     H             
 9   14    1   15  aromatic      H             
10    0  118  118  overall       C             
11    0   44   44  backbone      C             
12    0   59   59  sidechain     C             
13    0   15   15  aromatic      C             
14   22    8   30  overall       N             
15   21    1   22  backbone      N             
16    0    7    7  sidechain     N             
17    1    0    1  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    7    7  stereomethyl  stereomethyl  
 2  254  189  443  overall       Total         
 3   87   65  152  backbone      Total         
 4  150  102  252  sidechain     Total         
 5   17   22   39  aromatic      Total         
 6  224   23  247  overall       H             
 7   59    3   62  backbone      H             
 8  149   17  166  sidechain     H             
 9   16    3   19  aromatic      H             
10    0  153  153  overall       C             
11    0   60   60  backbone      C             
12    0   76   76  sidechain     C             
13    0   17   17  aromatic      C             
14   30   13   43  overall       N             
15   28    2   30  backbone      N             
16    1    9   10  sidechain     N             
17    1    2    3  aromatic      N             
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     363  
 2  "Intra-residue (|i-j|=0)"                         1  
 3  "Sequential (|i-j|=1)"                          195  
 4  "Medium range (|i-j|>1 and |i-j|<5)"            165  
 5  "Long range (|i-j|>=5)"                           2  
 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"             12.1  
12  "Number of long range restraints per residue"   0.1  
#
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                   1    0.3  0  0.0  0.0   0  0.0  0.0  
 2  Intra-residue  BackboneBackbone      0    0.0  0  0.0  0.0   0  0.0  0.0  
 3  Intra-residue  BackboneSidechain     1    0.3  0  0.0  0.0   0  0.0  0.0  
 4  Intra-residue  SidechainSidechain    0    0.0  0  0.0  0.0   0  0.0  0.0  
 5  Sequential     all                 195   53.7  2  0.6  1.0   4  1.1  2.1  
 6  Sequential     BackboneBackbone     60   16.5  0  0.0  0.0   0  0.0  0.0  
 7  Sequential     BackboneSidechain   108   29.8  1  0.3  0.9   2  0.6  1.9  
 8  Sequential     SidechainSidechain   27    7.4  1  0.3  3.7   2  0.6  7.4  
 9  MediumRange    all                 165   45.5  3  0.8  1.8   7  1.9  4.2  
10  MediumRange    BackboneBackbone     51   14.0  1  0.3  2.0   1  0.3  2.0  
11  MediumRange    BackboneSidechain    75   20.7  2  0.6  2.7   6  1.7  8.0  
12  MediumRange    SidechainSidechain   39   10.7  0  0.0  0.0   0  0.0  0.0  
13  LongRange      all                   2    0.6  0  0.0  0.0   0  0.0  0.0  
14  LongRange      BackboneBackbone      1    0.3  0  0.0  0.0   0  0.0  0.0  
15  LongRange      BackboneSidechain     1    0.3  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                 363  100.0  5  1.4  1.4  11  3.0  3.0  
24  Total          BackboneBackbone    112   30.9  1  0.3  0.9   1  0.3  0.9  
25  Total          BackboneSidechain   185   51.0  3  0.8  1.6   8  2.2  4.3  
26  Total          SidechainSidechain   66   18.2  1  0.3  1.5   2  0.6  3.0  
#
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  0.93  0.24  0.14  0.25  
 2   2  0.93  0.25  0.16  0.26  
 3   3  0.93  0.24  0.16  0.25  
 4   4  0.93  0.24  0.14  0.26  
 5   5  0.92  0.28  0.16  0.29  
 6   6  0.91  0.27  0.17  0.25  
 7   7  0.92  0.29  0.17  0.28  
 8   8  0.92  0.28  0.15  0.29  
 9   9  0.93  0.31  0.16  0.28  
10  10  0.93  0.29  0.16  0.29  
#
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  0  
 2   1  sequential    3  
 3   1  medium        6  
 4   1  long          0  
 5   1  interchain    0  
 6   1  total         9  
 7   2  intraresidue  0  
 8   2  sequential    2  
 9   2  medium        6  
10   2  long          0  
11   2  interchain    0  
12   2  total         8  
13   3  intraresidue  0  
14   3  sequential    3  
15   3  medium        6  
16   3  long          0  
17   3  interchain    0  
18   3  total         9  
19   4  intraresidue  0  
20   4  sequential    3  
21   4  medium        5  
22   4  long          0  
23   4  interchain    0  
24   4  total         8  
25   5  intraresidue  0  
26   5  sequential    2  
27   5  medium        4  
28   5  long          0  
29   5  interchain    0  
30   5  total         6  
31   6  intraresidue  0  
32   6  sequential    3  
33   6  medium        5  
34   6  long          0  
35   6  interchain    0  
36   6  total         8  
37   7  intraresidue  0  
38   7  sequential    2  
39   7  medium        4  
40   7  long          0  
41   7  interchain    0  
42   7  total         6  
43   8  intraresidue  0  
44   8  sequential    2  
45   8  medium        4  
46   8  long          0  
47   8  interchain    0  
48   8  total         6  
49   9  intraresidue  0  
50   9  sequential    3  
51   9  medium        4  
52   9  long          0  
53   9  interchain    0  
54   9  total         7  
55  10  intraresidue  0  
56  10  sequential    2  
57  10  medium        4  
58  10  long          0  
59  10  interchain    0  
60  10  total         6  
#
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    1  
 3   1  medium        0  
 4   1  long          0  
 5   1  interchain    0  
 6   1  total         1  
 7   2  intraresidue  0  
 8   2  sequential    0  
 9   2  medium        2  
10   2  long          0  
11   2  interchain    0  
12   2  total         2  
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    1  
21   4  medium        0  
22   4  long          0  
23   4  interchain    0  
24   4  total         1  
25   5  intraresidue  0  
26   5  sequential    0  
27   5  medium        1  
28   5  long          0  
29   5  interchain    0  
30   5  total         1  
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        1  
52   9  long          0  
53   9  interchain    0  
54   9  total         1  
55  10  intraresidue  0  
56  10  sequential    2  
57  10  medium        3  
58  10  long          0  
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  5.9  
2  0.2-0.5  0.5  0.4  
3  >0.5     0.9  1.0  
#
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  245  1  .  A  26  ALA  ?     1  A  26  HA   A  .  27  LEU  27  A  1  ?     HB2   10  0.93  0.93  0.01  
 2  146  1  .  A  14  TYR  ?     1  A  14  HD1  A  .  13  LEU  13  A  1  ?     HG    10  0.18  0.18  0.02  
 3  146  1  .  A  14  TYR  ?     1  A  14  HD2  A  .  13  LEU  13  A  1  ?     HG    10  0.18  0.18  0.02  
 4  178  1  .  A  25  VAL  ?     1  A  25  H    A  .  23  LYS  23  A  1  ?     HB2   10  0.16  0.17  0.02  
 5    9  2  .  A  22  CYS  ?     1  A  22  H    A  .  24  VAL  24  A  1  ?     HA    10  0.15  0.15  0.01  
 6   90  1  .  A  27  LEU  ?     1  A  27  H    A  .  24  VAL  24  A  1  ?     HB    10  0.13  0.13  0.00  
 7  218  1  .  A   9  SER  ?     1  A   9  H    A  .  12  THR  12  A  1  ?     HG21   9  0.15  0.15  0.02  
 8  218  1  .  A   9  SER  ?     1  A   9  H    A  .  12  THR  12  A  1  ?     HG22   9  0.15  0.15  0.02  
 9  218  1  .  A   9  SER  ?     1  A   9  H    A  .  12  THR  12  A  1  ?     HG23   9  0.15  0.15  0.02  
10   44  1  .  A  14  TYR  ?     1  A  14  H    A  .  17  ILE  17  A  1  ?     HB     5  0.11  0.11  0.00  
11  140  1  .  A  10  TRP  ?     1  A  10  HD1  A  .   9  SER   9  A  1  ?     HB2    4  0.31  0.28  0.11  
12  227  1  .  A  16  LYS  ?     1  A  16  HA   A  .  12  THR  12  A  1  ?     HG21   2  0.12  0.12  0.01  
13  227  1  .  A  16  LYS  ?     1  A  16  HA   A  .  12  THR  12  A  1  ?     HG22   2  0.12  0.12  0.01  
14  227  1  .  A  16  LYS  ?     1  A  16  HA   A  .  12  THR  12  A  1  ?     HG23   2  0.12  0.12  0.01  
15    3  3  .  A  10  TRP  ?     1  A  10  H    A  .  13  LEU  13  A  1  ?     HB2    2  0.11  0.11  0.00  
16    3  3  .  A  10  TRP  ?     1  A  10  H    A  .  13  LEU  13  A  1  ?     HB3    2  0.11  0.11  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  245  1   26   27  HA   HB2   0.93  
  2  245  1   56   57  HA   HB2   0.93  
  3  245  1   86   87  HA   HB2   0.93  
  4  245  1  116  117  HA   HB2   0.93  
  5  245  1  266  267  HA   HB2   0.93  
  6  245  1  296  297  HA   HB2   0.93  
  7  245  1  146  147  HA   HB2   0.92  
  8  245  1  206  207  HA   HB2   0.92  
  9  245  1  236  237  HA   HB2   0.92  
 10  245  1  176  177  HA   HB2   0.91  
 11  140  1  250  249  HD1  HB2   0.48  
 12  140  1  160  159  HD1  HB2   0.30  
 13  140  1   10    9  HD1  HB2   0.26  
 14  146  1  194  193  HD1  HG    0.22  
 15  146  1  194  193  HD2  HG    0.22  
 16  178  1  175  173  H    HB2   0.19  
 17  146  1  104  103  HD1  HG    0.19  
 18  146  1  104  103  HD2  HG    0.19  
 19  146  1  134  133  HD1  HG    0.19  
 20  146  1  134  133  HD2  HG    0.19  
 21  146  1  164  163  HD1  HG    0.19  
 22  146  1  164  163  HD2  HG    0.19  
 23  140  1   70   69  HD1  HB2   0.19  
 24  178  1   55   53  H    HB2   0.18  
 25  178  1  205  203  H    HB2   0.18  
 26  146  1   14   13  HD1  HG    0.18  
 27  146  1   14   13  HD2  HG    0.18  
 28  146  1   74   73  HD1  HG    0.18  
 29  146  1   74   73  HD2  HG    0.18  
 30  146  1  284  283  HD1  HG    0.18  
 31  146  1  284  283  HD2  HG    0.18  
 32    9  2   22   24  H    HA    0.17  
 33  218  1   39   42  H    HG21  0.17  
 34  218  1   39   42  H    HG22  0.17  
 35  218  1   39   42  H    HG23  0.17  
 36  218  1  279  282  H    HG21  0.17  
 37  218  1  279  282  H    HG22  0.17  
 38  218  1  279  282  H    HG23  0.17  
 39  178  1  115  113  H    HB2   0.17  
 40  178  1  265  263  H    HB2   0.17  
 41    9  2   52   54  H    HA    0.16  
 42    9  2  202  204  H    HA    0.16  
 43  218  1   69   72  H    HG21  0.16  
 44  218  1   69   72  H    HG22  0.16  
 45  218  1   69   72  H    HG23  0.16  
 46  178  1   85   83  H    HB2   0.16  
 47  178  1  145  143  H    HB2   0.16  
 48  178  1  295  293  H    HB2   0.16  
 49  146  1   44   43  HD1  HG    0.16  
 50  146  1   44   43  HD2  HG    0.16  
 51  146  1  224  223  HD1  HG    0.16  
 52  146  1  224  223  HD2  HG    0.16  
 53  146  1  254  253  HD1  HG    0.16  
 54  146  1  254  253  HD2  HG    0.16  
 55    9  2   82   84  H    HA    0.15  
 56    9  2  112  114  H    HA    0.15  
 57    9  2  142  144  H    HA    0.15  
 58    9  2  172  174  H    HA    0.15  
 59    9  2  232  234  H    HA    0.15  
 60    9  2  292  294  H    HA    0.15  
 61  218  1  159  162  H    HG21  0.15  
 62  218  1  159  162  H    HG22  0.15  
 63  218  1  159  162  H    HG23  0.15  
 64  218  1  219  222  H    HG21  0.15  
 65  218  1  219  222  H    HG22  0.15  
 66  218  1  219  222  H    HG23  0.15  
 67    9  2  262  264  H    HA    0.14  
 68   90  1  177  174  H    HB    0.14  
 69  218  1    9   12  H    HG21  0.14  
 70  218  1    9   12  H    HG22  0.14  
 71  218  1    9   12  H    HG23  0.14  
 72  178  1  235  233  H    HB2   0.14  
 73   90  1   27   24  H    HB    0.13  
 74   90  1   57   54  H    HB    0.13  
 75   90  1   87   84  H    HB    0.13  
 76   90  1  147  144  H    HB    0.13  
 77   90  1  207  204  H    HB    0.13  
 78   90  1  237  234  H    HB    0.13  
 79   90  1  267  264  H    HB    0.13  
 80   90  1  297  294  H    HB    0.13  
 81  227  1   46   42  HA   HG21  0.13  
 82  227  1   46   42  HA   HG22  0.13  
 83  227  1   46   42  HA   HG23  0.13  
 84  218  1  249  252  H    HG21  0.13  
 85  218  1  249  252  H    HG22  0.13  
 86  218  1  249  252  H    HG23  0.13  
 87  178  1   25   23  H    HB2   0.13  
 88   90  1  117  114  H    HB    0.12  
 89   44  1  104  107  H    HB    0.12  
 90  218  1   99  102  H    HG21  0.12  
 91  218  1   99  102  H    HG22  0.12  
 92  218  1   99  102  H    HG23  0.12  
 93  218  1  189  192  H    HG21  0.12  
 94  218  1  189  192  H    HG22  0.12  
 95  218  1  189  192  H    HG23  0.12  
 96    3  3   10   13  H    HB2   0.11  
 97    3  3   10   13  H    HB3   0.11  
 98    3  3  130  133  H    HB2   0.11  
 99    3  3  130  133  H    HB3   0.11  
100   44  1   14   17  H    HB    0.11  
101   44  1   44   47  H    HB    0.11  
102   44  1   74   77  H    HB    0.11  
103   44  1  164  167  H    HB    0.11  
104  227  1   76   72  HA   HG21  0.11  
105  227  1   76   72  HA   HG22  0.11  
106  227  1   76   72  HA   HG23  0.11  
107  145  1  104  105  HE1  HA    0.11  
108  145  1  104  105  HE2  HA    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  
##
