data_6U7S

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6U7S   
BMRB  30668  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6U7S
_pdbx_vrpt_summary.PDB_deposition_date         2019-09-03
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:18:26
_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  "GLY-ARG-CYS-TYR-LYS-SER-LYS-PRO-PRO-ILE-CYS-PHE-PRO-ASP inhibitor"
#
_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  98.20  158937  ?     ?     
2  2  1  89.45   12864  ?     ?     
3  1  2  23.52  154571  ?     ?     
4  2  2  70.74   11451  ?     ?     
5  1  3  81.83  154315  ?     ?     
6  2  3  96.77   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  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  100.00  
 8  6  3  A   2  1  A  100.00  
 9  3  2  A   3  1  A    0.64  
10  4  2  A   3  1  A    0.64  
11  5  3  A   3  1  A  100.00  
12  6  3  A   3  1  A  100.00  
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  100.00  
16  6  3  A   4  1  A  100.00  
17  3  2  A   5  1  A    0.64  
18  4  2  A   5  1  A    0.64  
19  5  3  A   5  1  A  100.00  
20  6  3  A   5  1  A  100.00  
21  3  2  A   6  1  A  100.00  
22  4  2  A   6  1  A  100.00  
23  5  3  A   6  1  A  100.00  
24  6  3  A   6  1  A  100.00  
25  3  2  A   7  1  A  100.00  
26  4  2  A   7  1  A  100.00  
27  5  3  A   7  1  A  100.00  
28  6  3  A   7  1  A  100.00  
29  3  2  A   8  1  A  100.00  
30  4  2  A   8  1  A  100.00  
31  5  3  A   8  1  A  100.00  
32  6  3  A   8  1  A  100.00  
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   12.54  
36  6  3  A   9  1  A   12.54  
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  100.00  
40  6  3  A  10  1  A  100.00  
41  3  2  A  11  1  A  100.00  
42  4  2  A  11  1  A  100.00  
43  5  3  A  11  1  A   12.54  
44  6  3  A  11  1  A   12.54  
45  3  2  A  12  1  A  100.00  
46  4  2  A  12  1  A  100.00  
47  5  3  A  12  1  A  100.00  
48  6  3  A  12  1  A  100.00  
49  3  2  A  13  1  A  100.00  
50  4  2  A  13  1  A  100.00  
51  5  3  A  13  1  A  100.00  
52  6  3  A  13  1  A  100.00  
53  3  2  A  14  1  A  100.00  
54  4  2  A  14  1  A  100.00  
55  5  3  A  14  1  A  100.00  
56  6  3  A  14  1  A  100.00  
57  3  2  A  15  1  A  100.00  
58  4  2  A  15  1  A  100.00  
59  5  3  A  15  1  A  100.00  
60  6  3  A  15  1  A  100.00  
61  3  2  A  16  1  A  100.00  
62  4  2  A  16  1  A  100.00  
63  5  3  A  16  1  A  100.00  
64  6  3  A  16  1  A  100.00  
65  3  2  A  17  1  A  100.00  
66  4  2  A  17  1  A  100.00  
67  5  3  A  17  1  A  100.00  
68  6  3  A  17  1  A  100.00  
69  3  2  A  18  1  A  100.00  
70  4  2  A  18  1  A  100.00  
71  5  3  A  18  1  A  100.00  
72  6  3  A  18  1  A  100.00  
73  3  2  A  19  1  A  100.00  
74  4  2  A  19  1  A  100.00  
75  5  3  A  19  1  A  100.00  
76  6  3  A  19  1  A  100.00  
77  3  2  A  20  1  A  100.00  
78  4  2  A  20  1  A  100.00  
79  5  3  A  20  1  A  100.00  
80  6  3  A  20  1  A  100.00  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  0.53  0.76  115  154  
 2   2  1  A  A  0.66  0.76  115  154  
 3   3  1  A  A  0.58  0.65  115  154  
 4   4  1  A  A  0.58  0.69  115  154  
 5   5  1  A  A  0.65  0.84  115  154  
 6   6  1  A  A  0.55  0.83  115  154  
 7   7  1  A  A  0.63  0.83  115  154  
 8   8  1  A  A  0.59  0.81  115  154  
 9   9  1  A  A  0.58  0.76  115  154  
10  10  1  A  A  0.70  0.76  115  154  
11  11  1  A  A  0.72  0.76  115  154  
12  12  1  A  A  0.58  0.75  115  154  
13  13  1  A  A  0.57  0.77  115  154  
14  14  1  A  A  0.58  0.78  115  154  
15  15  1  A  A  0.54  0.68  115  154  
16  16  1  A  A  0.54  0.77  115  154  
17  17  1  A  A  0.58  0.82  115  154  
18  18  1  A  A  0.62  0.74  115  154  
19  19  1  A  A  0.59  0.68  115  154  
20  20  1  A  A  0.61  0.75  115  154  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              0.83
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  0.83
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   0.77
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       0.77
_pdbx_vrpt_summary_geometry.clashscore                                 0.23
_pdbx_vrpt_summary_geometry.clashscore_full_length                     0.23
_pdbx_vrpt_summary_geometry.num_H_reduce                               2180
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2300
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.76
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            3080
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.60
#
_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            11
_pdbx_vrpt_summary_nmr.medoid_model                             1
_pdbx_vrpt_summary_nmr.nmrclust_number_of_outliers              2
_pdbx_vrpt_summary_nmr.nmrclust_number_of_models                20
_pdbx_vrpt_summary_nmr.nmrclust_number_of_clusters              3
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              78.61
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  78.61
#
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  GLY  A   1  .  ?        ?  
  2   1  1  A   2  ARG  A   2  .  ?        ?  
  3   1  1  A   3  CYS  A   3  .  ?        ?  
  4   1  1  A   4  TYR  A   4  .  ?        ?  
  5   1  1  A   5  LYS  A   5  .  ?        ?  
  6   1  1  A   6  SER  A   6  .  ?        ?  
  7   1  1  A   7  LYS  A   7  .  ?        ?  
  8   1  1  A   8  PRO  A   8  .  ?        ?  
  9   1  1  A   9  PRO  A   9  .  ?        ?  
 10   1  1  A  10  ILE  A  10  .  ?        ?  
 11   1  1  A  11  CYS  A  11  .  ?        ?  
 12   1  1  A  12  PHE  A  12  .  ?        ?  
 13   1  1  A  13  PRO  A  13  .  ?        ?  
 14   1  1  A  14  ASP  A  14  .  ?        ?  
 15   2  1  A   1  GLY  A   1  .  ?        ?  
 16   2  1  A   2  ARG  A   2  .  ?        ?  
 17   2  1  A   3  CYS  A   3  .  ?        ?  
 18   2  1  A   4  TYR  A   4  .  ?        ?  
 19   2  1  A   5  LYS  A   5  .  ?        ?  
 20   2  1  A   6  SER  A   6  .  ?        ?  
 21   2  1  A   7  LYS  A   7  .  ?        ?  
 22   2  1  A   8  PRO  A   8  .  ?        ?  
 23   2  1  A   9  PRO  A   9  .  ?        ?  
 24   2  1  A  10  ILE  A  10  .  ?        ?  
 25   2  1  A  11  CYS  A  11  .  ?        ?  
 26   2  1  A  12  PHE  A  12  .  ?        ?  
 27   2  1  A  13  PRO  A  13  .  ?        ?  
 28   2  1  A  14  ASP  A  14  .  ?        ?  
 29   3  1  A   1  GLY  A   1  .  ?        ?  
 30   3  1  A   2  ARG  A   2  .  ?        ?  
 31   3  1  A   3  CYS  A   3  .  ?        ?  
 32   3  1  A   4  TYR  A   4  .  ?        ?  
 33   3  1  A   5  LYS  A   5  .  ?        ?  
 34   3  1  A   6  SER  A   6  .  ?        ?  
 35   3  1  A   7  LYS  A   7  .  ?        ?  
 36   3  1  A   8  PRO  A   8  .  ?        ?  
 37   3  1  A   9  PRO  A   9  .  ?        ?  
 38   3  1  A  10  ILE  A  10  .  ?        ?  
 39   3  1  A  11  CYS  A  11  .  ?        ?  
 40   3  1  A  12  PHE  A  12  .  ?        ?  
 41   3  1  A  13  PRO  A  13  .  ?        ?  
 42   3  1  A  14  ASP  A  14  .  ?        ?  
 43   4  1  A   1  GLY  A   1  .  ?        ?  
 44   4  1  A   2  ARG  A   2  .  ?        ?  
 45   4  1  A   3  CYS  A   3  .  ?        ?  
 46   4  1  A   4  TYR  A   4  .  ?        ?  
 47   4  1  A   5  LYS  A   5  .  ?        ?  
 48   4  1  A   6  SER  A   6  .  ?        ?  
 49   4  1  A   7  LYS  A   7  .  ?        ?  
 50   4  1  A   8  PRO  A   8  .  ?        ?  
 51   4  1  A   9  PRO  A   9  .  ?        ?  
 52   4  1  A  10  ILE  A  10  .  ?        ?  
 53   4  1  A  11  CYS  A  11  .  ?        ?  
 54   4  1  A  12  PHE  A  12  .  ?        ?  
 55   4  1  A  13  PRO  A  13  .  ?        ?  
 56   4  1  A  14  ASP  A  14  .  ?        ?  
 57   5  1  A   1  GLY  A   1  .  ?        ?  
 58   5  1  A   2  ARG  A   2  .  ?        ?  
 59   5  1  A   3  CYS  A   3  .  ?        ?  
 60   5  1  A   4  TYR  A   4  .  ?        ?  
 61   5  1  A   5  LYS  A   5  .  ?        ?  
 62   5  1  A   6  SER  A   6  .  ?        ?  
 63   5  1  A   7  LYS  A   7  .  ?        ?  
 64   5  1  A   8  PRO  A   8  .  ?        ?  
 65   5  1  A   9  PRO  A   9  .  ?        ?  
 66   5  1  A  10  ILE  A  10  .  ?        ?  
 67   5  1  A  11  CYS  A  11  .  ?        ?  
 68   5  1  A  12  PHE  A  12  .  ?        ?  
 69   5  1  A  13  PRO  A  13  .  ?        ?  
 70   5  1  A  14  ASP  A  14  .  ?        ?  
 71   6  1  A   1  GLY  A   1  .  ?        ?  
 72   6  1  A   2  ARG  A   2  .  ?        ?  
 73   6  1  A   3  CYS  A   3  .  ?        ?  
 74   6  1  A   4  TYR  A   4  .  ?        ?  
 75   6  1  A   5  LYS  A   5  .  ?        ?  
 76   6  1  A   6  SER  A   6  .  ?        ?  
 77   6  1  A   7  LYS  A   7  .  ?        ?  
 78   6  1  A   8  PRO  A   8  .  ?        ?  
 79   6  1  A   9  PRO  A   9  .  ?        ?  
 80   6  1  A  10  ILE  A  10  .  ?        ?  
 81   6  1  A  11  CYS  A  11  .  ?        ?  
 82   6  1  A  12  PHE  A  12  .  ?        ?  
 83   6  1  A  13  PRO  A  13  .  ?        ?  
 84   6  1  A  14  ASP  A  14  .  ?        ?  
 85   7  1  A   1  GLY  A   1  .  ?        ?  
 86   7  1  A   2  ARG  A   2  .  ?        ?  
 87   7  1  A   3  CYS  A   3  .  ?        ?  
 88   7  1  A   4  TYR  A   4  .  ?        ?  
 89   7  1  A   5  LYS  A   5  .  ?        ?  
 90   7  1  A   6  SER  A   6  .  ?        ?  
 91   7  1  A   7  LYS  A   7  .  ?        ?  
 92   7  1  A   8  PRO  A   8  .  ?        ?  
 93   7  1  A   9  PRO  A   9  .  ?        ?  
 94   7  1  A  10  ILE  A  10  .  ?        ?  
 95   7  1  A  11  CYS  A  11  .  ?        ?  
 96   7  1  A  12  PHE  A  12  .  ?        ?  
 97   7  1  A  13  PRO  A  13  .  ?        ?  
 98   7  1  A  14  ASP  A  14  .  ?        ?  
 99   8  1  A   1  GLY  A   1  .  ?        ?  
100   8  1  A   2  ARG  A   2  .  ?        ?  
101   8  1  A   3  CYS  A   3  .  ?        ?  
102   8  1  A   4  TYR  A   4  .  ?        ?  
103   8  1  A   5  LYS  A   5  .  ?        ?  
104   8  1  A   6  SER  A   6  .  ?        ?  
105   8  1  A   7  LYS  A   7  .  ?        ?  
106   8  1  A   8  PRO  A   8  .  ?        ?  
107   8  1  A   9  PRO  A   9  .  ?        ?  
108   8  1  A  10  ILE  A  10  .  ?        ?  
109   8  1  A  11  CYS  A  11  .  ?        ?  
110   8  1  A  12  PHE  A  12  .  ?        ?  
111   8  1  A  13  PRO  A  13  .  ?        ?  
112   8  1  A  14  ASP  A  14  .  ?        ?  
113   9  1  A   1  GLY  A   1  .  ?        ?  
114   9  1  A   2  ARG  A   2  .  ?        ?  
115   9  1  A   3  CYS  A   3  .  ?        ?  
116   9  1  A   4  TYR  A   4  .  ?        ?  
117   9  1  A   5  LYS  A   5  .  ?        ?  
118   9  1  A   6  SER  A   6  .  ?        ?  
119   9  1  A   7  LYS  A   7  .  ?        ?  
120   9  1  A   8  PRO  A   8  .  ?        ?  
121   9  1  A   9  PRO  A   9  .  ?        ?  
122   9  1  A  10  ILE  A  10  .  ?        ?  
123   9  1  A  11  CYS  A  11  .  ?        ?  
124   9  1  A  12  PHE  A  12  .  ?        ?  
125   9  1  A  13  PRO  A  13  .  ?        ?  
126   9  1  A  14  ASP  A  14  .  ?        ?  
127  10  1  A   1  GLY  A   1  .  ?        ?  
128  10  1  A   2  ARG  A   2  .  ?        ?  
129  10  1  A   3  CYS  A   3  .  ?        ?  
130  10  1  A   4  TYR  A   4  .  ?        ?  
131  10  1  A   5  LYS  A   5  .  ?        ?  
132  10  1  A   6  SER  A   6  .  ?        ?  
133  10  1  A   7  LYS  A   7  .  ?        ?  
134  10  1  A   8  PRO  A   8  .  ?        ?  
135  10  1  A   9  PRO  A   9  .  ?        ?  
136  10  1  A  10  ILE  A  10  .  ?        ?  
137  10  1  A  11  CYS  A  11  .  ?        ?  
138  10  1  A  12  PHE  A  12  .  ?        ?  
139  10  1  A  13  PRO  A  13  .  ?        ?  
140  10  1  A  14  ASP  A  14  .  ?        ?  
141  11  1  A   1  GLY  A   1  .  ?        ?  
142  11  1  A   2  ARG  A   2  .  ?        ?  
143  11  1  A   3  CYS  A   3  .  ?        ?  
144  11  1  A   4  TYR  A   4  .  ?        ?  
145  11  1  A   5  LYS  A   5  .  ?        ?  
146  11  1  A   6  SER  A   6  .  ?        ?  
147  11  1  A   7  LYS  A   7  .  ?        ?  
148  11  1  A   8  PRO  A   8  .  ?        ?  
149  11  1  A   9  PRO  A   9  .  ?        ?  
150  11  1  A  10  ILE  A  10  .  ?        ?  
151  11  1  A  11  CYS  A  11  .  ?        ?  
152  11  1  A  12  PHE  A  12  .  ?        ?  
153  11  1  A  13  PRO  A  13  .  ?        ?  
154  11  1  A  14  ASP  A  14  .  ?        ?  
155  12  1  A   1  GLY  A   1  .  ?        ?  
156  12  1  A   2  ARG  A   2  .  ?        ?  
157  12  1  A   3  CYS  A   3  .  ?        ?  
158  12  1  A   4  TYR  A   4  .  ?        ?  
159  12  1  A   5  LYS  A   5  .  ?        ?  
160  12  1  A   6  SER  A   6  .  ?        ?  
161  12  1  A   7  LYS  A   7  .  ?        ?  
162  12  1  A   8  PRO  A   8  .  ?        ?  
163  12  1  A   9  PRO  A   9  .  ?        ?  
164  12  1  A  10  ILE  A  10  .  ?        ?  
165  12  1  A  11  CYS  A  11  .  ?        ?  
166  12  1  A  12  PHE  A  12  .  ?        ?  
167  12  1  A  13  PRO  A  13  .  ?        ?  
168  12  1  A  14  ASP  A  14  .  ?        ?  
169  13  1  A   1  GLY  A   1  .  ?        ?  
170  13  1  A   2  ARG  A   2  .  ?        ?  
171  13  1  A   3  CYS  A   3  .  ?        ?  
172  13  1  A   4  TYR  A   4  .  ?        ?  
173  13  1  A   5  LYS  A   5  .  ?        ?  
174  13  1  A   6  SER  A   6  .  ?        ?  
175  13  1  A   7  LYS  A   7  .  ?        ?  
176  13  1  A   8  PRO  A   8  .  ?        ?  
177  13  1  A   9  PRO  A   9  .  ?        ?  
178  13  1  A  10  ILE  A  10  .  ?        ?  
179  13  1  A  11  CYS  A  11  .  ?        ?  
180  13  1  A  12  PHE  A  12  .  ?        ?  
181  13  1  A  13  PRO  A  13  .  ?        ?  
182  13  1  A  14  ASP  A  14  .  ?        ?  
183  14  1  A   1  GLY  A   1  .  ?        ?  
184  14  1  A   2  ARG  A   2  .  ?        ?  
185  14  1  A   3  CYS  A   3  .  ?        ?  
186  14  1  A   4  TYR  A   4  .  ?        ?  
187  14  1  A   5  LYS  A   5  .  ?        ?  
188  14  1  A   6  SER  A   6  .  ?        ?  
189  14  1  A   7  LYS  A   7  .  ?        ?  
190  14  1  A   8  PRO  A   8  .  ?        ?  
191  14  1  A   9  PRO  A   9  .  ?        ?  
192  14  1  A  10  ILE  A  10  .  ?        ?  
193  14  1  A  11  CYS  A  11  .  ?        ?  
194  14  1  A  12  PHE  A  12  .  ?        ?  
195  14  1  A  13  PRO  A  13  .  ?        ?  
196  14  1  A  14  ASP  A  14  .  ?        ?  
197  15  1  A   1  GLY  A   1  .  ?        ?  
198  15  1  A   2  ARG  A   2  .  ?        ?  
199  15  1  A   3  CYS  A   3  .  ?        ?  
200  15  1  A   4  TYR  A   4  .  ?        ?  
201  15  1  A   5  LYS  A   5  .  ?        ?  
202  15  1  A   6  SER  A   6  .  ?        ?  
203  15  1  A   7  LYS  A   7  .  ?        ?  
204  15  1  A   8  PRO  A   8  .  ?        ?  
205  15  1  A   9  PRO  A   9  .  ?        ?  
206  15  1  A  10  ILE  A  10  .  ?        ?  
207  15  1  A  11  CYS  A  11  .  ?        ?  
208  15  1  A  12  PHE  A  12  .  ?        ?  
209  15  1  A  13  PRO  A  13  .  ?        ?  
210  15  1  A  14  ASP  A  14  .  ?        ?  
211  16  1  A   1  GLY  A   1  .  ?        ?  
212  16  1  A   2  ARG  A   2  .  ?        ?  
213  16  1  A   3  CYS  A   3  .  ?        ?  
214  16  1  A   4  TYR  A   4  .  ?        ?  
215  16  1  A   5  LYS  A   5  .  ?        ?  
216  16  1  A   6  SER  A   6  .  ?        ?  
217  16  1  A   7  LYS  A   7  .  ?        ?  
218  16  1  A   8  PRO  A   8  .  ?        ?  
219  16  1  A   9  PRO  A   9  .  ?        ?  
220  16  1  A  10  ILE  A  10  .  ?        ?  
221  16  1  A  11  CYS  A  11  .  ?        ?  
222  16  1  A  12  PHE  A  12  .  ?        ?  
223  16  1  A  13  PRO  A  13  .  ?        ?  
224  16  1  A  14  ASP  A  14  .  ?        ?  
225  17  1  A   1  GLY  A   1  .  ?        ?  
226  17  1  A   2  ARG  A   2  .  ?        ?  
227  17  1  A   3  CYS  A   3  .  ?        ?  
228  17  1  A   4  TYR  A   4  .  ?        ?  
229  17  1  A   5  LYS  A   5  .  ?        ?  
230  17  1  A   6  SER  A   6  .  ?        ?  
231  17  1  A   7  LYS  A   7  .  ?        1  
232  17  1  A   8  PRO  A   8  .  ?        1  
233  17  1  A   9  PRO  A   9  .  ?        ?  
234  17  1  A  10  ILE  A  10  .  ?        ?  
235  17  1  A  11  CYS  A  11  .  ?        ?  
236  17  1  A  12  PHE  A  12  .  ?        ?  
237  17  1  A  13  PRO  A  13  .  ?        ?  
238  17  1  A  14  ASP  A  14  .  ?        ?  
239  18  1  A   1  GLY  A   1  .  ?        ?  
240  18  1  A   2  ARG  A   2  .  ?        ?  
241  18  1  A   3  CYS  A   3  .  ?        ?  
242  18  1  A   4  TYR  A   4  .  ?        ?  
243  18  1  A   5  LYS  A   5  .  ?        ?  
244  18  1  A   6  SER  A   6  .  ?        ?  
245  18  1  A   7  LYS  A   7  .  ?        ?  
246  18  1  A   8  PRO  A   8  .  ?        ?  
247  18  1  A   9  PRO  A   9  .  ?        ?  
248  18  1  A  10  ILE  A  10  .  ?        ?  
249  18  1  A  11  CYS  A  11  .  ?        ?  
250  18  1  A  12  PHE  A  12  .  ?        ?  
251  18  1  A  13  PRO  A  13  .  ?        ?  
252  18  1  A  14  ASP  A  14  .  ?        ?  
253  19  1  A   1  GLY  A   1  .  ?        ?  
254  19  1  A   2  ARG  A   2  .  ?        ?  
255  19  1  A   3  CYS  A   3  .  ?        ?  
256  19  1  A   4  TYR  A   4  .  ?        ?  
257  19  1  A   5  LYS  A   5  .  ?        ?  
258  19  1  A   6  SER  A   6  .  ?        ?  
259  19  1  A   7  LYS  A   7  .  ?        ?  
260  19  1  A   8  PRO  A   8  .  ?        ?  
261  19  1  A   9  PRO  A   9  .  ?        ?  
262  19  1  A  10  ILE  A  10  .  ?        ?  
263  19  1  A  11  CYS  A  11  .  ?        ?  
264  19  1  A  12  PHE  A  12  .  ?        ?  
265  19  1  A  13  PRO  A  13  .  ?        ?  
266  19  1  A  14  ASP  A  14  .  ?        ?  
267  20  1  A   1  GLY  A   1  .  ?        ?  
268  20  1  A   2  ARG  A   2  .  ?        ?  
269  20  1  A   3  CYS  A   3  .  ?        ?  
270  20  1  A   4  TYR  A   4  .  ?        ?  
271  20  1  A   5  LYS  A   5  .  ?        ?  
272  20  1  A   6  SER  A   6  .  ?        ?  
273  20  1  A   7  LYS  A   7  .  ?        ?  
274  20  1  A   8  PRO  A   8  .  ?        ?  
275  20  1  A   9  PRO  A   9  .  ?        ?  
276  20  1  A  10  ILE  A  10  .  ?        ?  
277  20  1  A  11  CYS  A  11  .  ?        ?  
278  20  1  A  12  PHE  A  12  .  ?        ?  
279  20  1  A  13  PRO  A  13  .  ?        ?  
280  20  1  A  14  ASP  A  14  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.cis_peptide
_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  ?             ?       ?  ?        ?      3   4  0.70   5  0.26  molprobity  1  True  
  2    2  mtt180    -85.2   105.8  Favored  ?     13  11  0.71  14  0.52  molprobity  1  True  
  3    3  m        -117.1   128.2  Favored  ?      4   6  0.90   8  0.51  molprobity  1  True  
  4    4  m-85     -111.3   123.4  Favored  ?      9  13  0.72  18  0.40  molprobity  1  True  
  5    5  mttp      -80.2    93.0  Favored  ?     13   9  0.98  11  0.50  molprobity  1  True  
  6    6  m        -150.4  -177.0  Favored  ?      5   6  1.22   8  0.60  molprobity  1  True  
  7    7  mmtm     -124.3   110.1  Favored  Y     13   9  0.47  12  0.62  molprobity  1  True  
  8    8  Cg_exo    -78.2   151.5  Favored  ?      7   8  0.67  12  0.55  molprobity  1  True  
  9    9  Cg_endo   -71.2   108.9  Favored  ?      7   8  0.68  11  0.40  molprobity  1  True  
 10   10  mt        -84.2   118.8  Favored  ?     11   8  0.67  11  0.43  molprobity  1  True  
 11   11  m        -123.9   123.3  Favored  ?      4   6  1.12   8  0.66  molprobity  1  True  
 12   12  m-85      -95.1   133.4  Favored  ?      9  12  0.63  17  0.65  molprobity  1  True  
 13   13  Cg_endo   -57.3    -5.5  Allowed  ?      7   8  0.67  11  0.44  molprobity  1  True  
 14   14  m-20          ?       ?  ?        ?      4   7  0.50   8  0.63  molprobity  1  True  
 15   15  ?             ?       ?  ?        ?      3   4  0.83   5  0.26  molprobity  1  True  
 16   16  mtm180   -141.3   110.8  Favored  ?     13  11  0.68  14  1.16  molprobity  1  True  
 17   17  m        -103.5   126.0  Favored  ?      4   6  1.03   8  0.37  molprobity  1  True  
 18   18  m-85     -103.2   129.6  Favored  ?      9  13  0.76  18  0.46  molprobity  1  True  
 19   19  pttt      -75.0   103.2  Favored  ?     13   9  0.96  11  0.87  molprobity  1  True  
 20   20  p        -152.3   176.8  Favored  ?      5   6  1.27   8  0.91  molprobity  1  True  
 21   21  pttt     -123.7   109.2  Favored  Y     13   9  0.47  12  0.75  molprobity  1  True  
 22   22  Cg_endo   -76.2   159.7  Favored  ?      7   8  0.74  12  0.39  molprobity  1  True  
 23   23  Cg_exo    -73.0   127.0  Favored  ?      7   8  0.66  11  0.43  molprobity  1  True  
 24   24  mt        -90.3   114.8  Favored  ?     11   8  0.70  11  0.39  molprobity  1  True  
 25   25  m        -111.0   111.5  Favored  ?      4   6  0.96   8  0.45  molprobity  1  True  
 26   26  m-85      -79.7   132.7  Favored  ?      9  12  0.64  17  0.66  molprobity  1  True  
 27   27  Cg_exo    -46.5   -27.6  Favored  ?      7   8  0.45  11  0.41  molprobity  1  True  
 28   28  p30           ?       ?  ?        ?      4   7  0.37   8  0.85  molprobity  1  True  
 29   29  ?             ?       ?  ?        ?      3   4  0.67   5  0.47  molprobity  1  True  
 30   30  mtt180   -115.5    92.6  Favored  ?     13  11  0.46  14  0.73  molprobity  1  True  
 31   31  m        -132.6   126.4  Favored  ?      4   6  0.89   8  0.39  molprobity  1  True  
 32   32  m-85      -93.9   144.8  Favored  ?      9  13  0.48  18  0.31  molprobity  1  True  
 33   33  mmtm      -85.1   -21.0  Favored  ?     13   9  0.47  11  0.51  molprobity  1  True  
 34   34  p         -62.5   146.0  Favored  ?      5   6  0.80   8  0.86  molprobity  1  True  
 35   35  mmtm      -97.5   138.7  Favored  Y     13   9  0.43  12  0.57  molprobity  1  True  
 36   36  Cg_exo    -70.6   145.5  Favored  ?      7   8  0.62  12  0.47  molprobity  1  True  
 37   37  Cg_exo    -69.7   103.7  Allowed  ?      7   8  0.63  11  0.56  molprobity  1  True  
 38   38  mt        -82.1   109.6  Favored  ?     11   8  0.69  11  0.52  molprobity  1  True  
 39   39  t        -126.8   108.0  Favored  ?      4   6  0.82   8  0.61  molprobity  1  True  
 40   40  m-85      -91.9   132.6  Favored  ?      9  12  0.59  17  0.60  molprobity  1  True  
 41   41  Cg_endo   -64.4    24.7  OUTLIER  ?      7   8  1.09  11  0.56  molprobity  1  True  
 42   42  t70           ?       ?  ?        ?      4   7  0.40   8  0.82  molprobity  1  True  
 43   43  ?             ?       ?  ?        ?      3   4  1.02   5  0.60  molprobity  1  True  
 44   44  mtt180   -115.9    89.3  Favored  ?     13  11  0.67  14  0.87  molprobity  1  True  
 45   45  m        -126.4   126.9  Favored  ?      4   6  0.97   8  0.49  molprobity  1  True  
 46   46  m-85     -104.0   124.7  Favored  ?      9  13  0.78  18  0.34  molprobity  1  True  
 47   47  mttp      -82.0    80.5  Favored  ?     13   9  0.68  11  0.56  molprobity  1  True  
 48   48  m        -150.7  -178.4  Favored  ?      5   6  0.76   8  0.57  molprobity  1  True  
 49   49  mttt     -123.2   126.8  Favored  Y     13   9  0.47  12  0.78  molprobity  1  True  
 50   50  Cg_exo    -68.6   153.0  Favored  ?      7   8  0.61  12  0.57  molprobity  1  True  
 51   51  Cg_endo   -66.9    95.4  Allowed  ?      7   8  0.64  11  0.42  molprobity  1  True  
 52   52  mt        -88.0   105.0  Favored  ?     11   8  0.70  11  0.48  molprobity  1  True  
 53   53  t        -133.3   107.1  Favored  ?      4   6  1.02   8  0.47  molprobity  1  True  
 54   54  m-85      -89.2   132.2  Favored  ?      9  12  0.62  17  0.58  molprobity  1  True  
 55   55  Cg_endo   -61.8    -7.6  Favored  ?      7   8  0.31  11  0.39  molprobity  1  True  
 56   56  t70           ?       ?  ?        ?      4   7  0.21   8  0.74  molprobity  1  True  
 57   57  ?             ?       ?  ?        ?      3   4  0.88   5  0.65  molprobity  1  True  
 58   58  mtt180   -104.2    96.8  Favored  ?     13  11  0.90  14  0.98  molprobity  1  True  
 59   59  m        -108.2   126.9  Favored  ?      4   6  0.96   8  0.36  molprobity  1  True  
 60   60  m-85      -97.5   148.0  Favored  ?      9  13  0.89  18  0.50  molprobity  1  True  
 61   61  mttt      -85.5    86.9  Favored  ?     13   9  0.93  11  0.63  molprobity  1  True  
 62   62  m        -144.7   175.6  Favored  ?      5   6  1.16   8  0.65  molprobity  1  True  
 63   63  tttp     -123.5   111.8  Favored  Y     13   9  0.60  12  0.63  molprobity  1  True  
 64   64  Cg_endo   -75.2   163.4  Favored  ?      7   8  0.76  12  0.40  molprobity  1  True  
 65   65  Cg_exo    -72.2   101.8  Allowed  ?      7   8  0.70  11  0.52  molprobity  1  True  
 66   66  mt        -81.2   125.8  Favored  ?     11   8  0.82  11  0.44  molprobity  1  True  
 67   67  m        -116.5   137.9  Favored  ?      4   6  1.16   8  0.46  molprobity  1  True  
 68   68  m-85     -105.5   132.1  Favored  ?      9  12  0.65  17  0.74  molprobity  1  True  
 69   69  Cg_exo    -33.5   -31.9  OUTLIER  ?      7   8  0.74  11  0.81  molprobity  1  True  
 70   70  m-20          ?       ?  ?        ?      4   7  0.59   8  0.89  molprobity  1  True  
 71   71  ?             ?       ?  ?        ?      3   4  0.78   5  0.24  molprobity  1  True  
 72   72  mtt85     -91.8   117.8  Favored  ?     13  11  0.96  14  0.46  molprobity  1  True  
 73   73  m        -134.9   133.1  Favored  ?      4   6  1.16   8  0.50  molprobity  1  True  
 74   74  t80      -125.5   131.2  Favored  ?      9  13  0.84  18  0.45  molprobity  1  True  
 75   75  mttp      -81.5    93.9  Favored  ?     13   9  0.84  11  0.67  molprobity  1  True  
 76   76  t        -122.7  -173.7  Favored  ?      5   6  1.21   8  0.82  molprobity  1  True  
 77   77  mttt     -123.1   105.2  Favored  Y     13   9  0.55  12  0.70  molprobity  1  True  
 78   78  Cg_endo   -77.5   160.1  Favored  ?      7   8  0.77  12  0.48  molprobity  1  True  
 79   79  Cg_exo    -61.1   132.8  Favored  ?      7   8  0.65  11  0.39  molprobity  1  True  
 80   80  pt       -120.1   105.4  Favored  ?     11   8  0.86  11  0.40  molprobity  1  True  
 81   81  t        -114.8   114.9  Favored  ?      4   6  1.22   8  0.81  molprobity  1  True  
 82   82  m-85      -93.5   132.2  Favored  ?      9  12  0.72  17  0.49  molprobity  1  True  
 83   83  Cg_endo   -57.8   -13.4  Favored  ?      7   8  0.38  11  0.37  molprobity  1  True  
 84   84  p30           ?       ?  ?        ?      4   7  0.36   8  0.78  molprobity  1  True  
 85   85  ?             ?       ?  ?        ?      3   4  1.53   5  0.98  molprobity  1  True  
 86   86  ttm180   -126.6    96.1  Favored  ?     13  11  1.05  14  0.64  molprobity  1  True  
 87   87  m        -105.8   128.7  Favored  ?      4   6  1.06   8  0.40  molprobity  1  True  
 88   88  m-85      -91.3   111.1  Favored  ?      9  13  0.83  18  0.51  molprobity  1  True  
 89   89  mmtp      -66.6    90.6  Allowed  ?     13   9  0.78  11  0.81  molprobity  1  True  
 90   90  m        -152.3   178.5  Favored  ?      5   6  1.01   8  0.89  molprobity  1  True  
 91   91  mmtt     -123.6   112.5  Favored  Y     13   9  0.44  12  0.68  molprobity  1  True  
 92   92  Cg_endo   -79.6   149.8  Favored  ?      7   8  0.51  12  0.49  molprobity  1  True  
 93   93  Cg_endo   -72.8   121.6  Favored  ?      7   8  0.78  11  0.39  molprobity  1  True  
 94   94  mt        -79.5   107.2  Favored  ?     11   8  0.74  11  0.52  molprobity  1  True  
 95   95  m        -107.4   125.4  Favored  ?      4   6  1.00   8  0.63  molprobity  1  True  
 96   96  m-85     -101.4   133.1  Favored  ?      9  12  0.68  17  0.64  molprobity  1  True  
 97   97  Cg_exo    -43.3   -20.9  Allowed  ?      7   8  0.77  11  0.60  molprobity  1  True  
 98   98  t70           ?       ?  ?        ?      4   7  0.33   8  0.75  molprobity  1  True  
 99   99  ?             ?       ?  ?        ?      3   4  0.89   5  0.76  molprobity  1  True  
100  100  mtp180   -111.0    96.8  Favored  ?     13  11  0.95  14  0.41  molprobity  1  True  
101  101  m        -104.6   127.1  Favored  ?      4   6  1.01   8  0.38  molprobity  1  True  
102  102  m-85      -97.8   143.3  Favored  ?      9  13  0.95  18  0.46  molprobity  1  True  
103  103  mmmm      -90.0    31.2  Allowed  ?     13   9  0.69  11  0.72  molprobity  1  True  
104  104  p         -80.4  -173.9  Favored  ?      5   6  1.16   8  0.96  molprobity  1  True  
105  105  tppp?    -123.6   104.9  Favored  Y     13   9  0.65  12  0.69  molprobity  1  True  
106  106  Cg_endo   -79.9   161.0  Favored  ?      7   8  0.67  12  0.50  molprobity  1  True  
107  107  Cg_exo    -72.0   107.7  Favored  ?      7   8  0.81  11  0.54  molprobity  1  True  
108  108  tt        -94.8   135.7  Favored  ?     11   8  0.70  11  0.26  molprobity  1  True  
109  109  m        -117.9   118.8  Favored  ?      4   6  0.84   8  0.54  molprobity  1  True  
110  110  m-85      -93.0   133.4  Favored  ?      9  12  0.66  17  0.62  molprobity  1  True  
111  111  Cg_endo   -46.1   -19.7  Allowed  ?      7   8  0.88  11  0.70  molprobity  1  True  
112  112  t70           ?       ?  ?        ?      4   7  0.37   8  0.73  molprobity  1  True  
113  113  ?             ?       ?  ?        ?      3   4  0.58   5  0.27  molprobity  1  True  
114  114  tpt180    -74.7    95.9  Favored  ?     13  11  0.91  14  0.59  molprobity  1  True  
115  115  m        -105.3   130.8  Favored  ?      4   6  1.12   8  0.42  molprobity  1  True  
116  116  m-85      -86.2   155.8  Favored  ?      9  13  0.93  18  0.46  molprobity  1  True  
117  117  mtpt      -93.0    10.1  Favored  ?     13   9  0.65  11  0.53  molprobity  1  True  
118  118  p         -72.4   163.5  Favored  ?      5   6  1.18   8  0.68  molprobity  1  True  
119  119  OUTLIER  -110.7   119.7  Favored  Y     13   9  0.57  12  0.90  molprobity  1  True  
120  120  Cg_exo    -77.8   157.9  Favored  ?      7   8  0.71  12  0.49  molprobity  1  True  
121  121  Cg_exo    -68.6   109.8  Favored  ?      7   8  0.47  11  0.45  molprobity  1  True  
122  122  mm        -75.2   109.2  Favored  ?     11   8  0.71  11  0.47  molprobity  1  True  
123  123  m        -103.1   116.2  Favored  ?      4   6  0.90   8  0.53  molprobity  1  True  
124  124  m-85      -87.0   133.2  Favored  ?      9  12  0.51  17  0.68  molprobity  1  True  
125  125  Cg_exo    -34.1   -39.3  Allowed  ?      7   8  0.61  11  0.68  molprobity  1  True  
126  126  t70           ?       ?  ?        ?      4   7  0.42   8  0.58  molprobity  1  True  
127  127  ?             ?       ?  ?        ?      3   4  0.69   5  0.50  molprobity  1  True  
128  128  ttm180   -137.3   116.4  Favored  ?     13  11  0.67  14  0.47  molprobity  1  True  
129  129  m        -130.2   137.2  Favored  ?      4   6  0.89   8  0.64  molprobity  1  True  
130  130  m-85     -109.2   119.9  Favored  ?      9  13  0.80  18  0.51  molprobity  1  True  
131  131  mttt      -83.0    76.7  Favored  ?     13   9  0.88  11  1.25  molprobity  1  True  
132  132  p        -105.4  -173.3  Favored  ?      5   6  1.23   8  1.13  molprobity  1  True  
133  133  ttpm?    -123.7   106.4  Favored  Y     13   9  0.66  12  0.81  molprobity  1  True  
134  134  Cg_endo   -76.3   159.5  Favored  ?      7   8  0.54  12  0.52  molprobity  1  True  
135  135  Cg_endo   -63.8   129.4  Favored  ?      7   8  0.67  11  0.42  molprobity  1  True  
136  136  mt        -90.0   103.6  Favored  ?     11   8  0.75  11  0.52  molprobity  1  True  
137  137  m        -113.7   128.1  Favored  ?      4   6  1.06   8  0.79  molprobity  1  True  
138  138  m-85     -108.3   132.8  Favored  ?      9  12  0.61  17  0.68  molprobity  1  True  
139  139  Cg_endo   -66.7    10.3  Allowed  ?      7   8  0.67  11  0.42  molprobity  1  True  
140  140  m-20          ?       ?  ?        ?      4   7  0.27   8  0.77  molprobity  1  True  
141  141  ?             ?       ?  ?        ?      3   4  1.05   5  0.62  molprobity  1  True  
142  142  mmt180   -131.1   126.5  Favored  ?     13  11  0.68  14  0.73  molprobity  1  True  
143  143  m        -135.2   126.8  Favored  ?      4   6  0.71   8  0.47  molprobity  1  True  
144  144  m-85      -94.3   123.0  Favored  ?      9  13  0.58  18  0.47  molprobity  1  True  
145  145  ptmm?     -77.0    87.6  Favored  ?     13   9  1.05  11  1.09  molprobity  1  True  
146  146  t        -131.9  -178.7  Favored  ?      5   6  1.38   8  1.35  molprobity  1  True  
147  147  OUTLIER  -124.2   110.4  Favored  Y     13   9  0.67  12  1.03  molprobity  1  True  
148  148  Cg_endo   -77.3   157.0  Favored  ?      7   8  0.62  12  0.42  molprobity  1  True  
149  149  Cg_exo    -65.9   120.8  Favored  ?      7   8  0.65  11  0.42  molprobity  1  True  
150  150  mm        -86.5   117.0  Favored  ?     11   8  0.64  11  0.45  molprobity  1  True  
151  151  m        -114.8   140.2  Favored  ?      4   6  0.80   8  0.68  molprobity  1  True  
152  152  m-85     -116.3   133.3  Favored  ?      9  12  0.62  17  0.62  molprobity  1  True  
153  153  Cg_endo   -54.6    -5.3  Allowed  ?      7   8  0.82  11  0.53  molprobity  1  True  
154  154  m-20          ?       ?  ?        ?      4   7  0.35   8  0.80  molprobity  1  True  
155  155  ?             ?       ?  ?        ?      3   4  0.98   5  0.16  molprobity  1  True  
156  156  mtt180   -132.2   124.2  Favored  ?     13  11  0.88  14  0.55  molprobity  1  True  
157  157  m        -127.8   128.7  Favored  ?      4   6  1.11   8  0.60  molprobity  1  True  
158  158  m-85     -108.9   108.7  Favored  ?      9  13  0.87  18  0.54  molprobity  1  True  
159  159  mtmt      -79.2    98.1  Favored  ?     13   9  0.87  11  0.77  molprobity  1  True  
160  160  m        -152.6  -174.2  Favored  ?      5   6  0.97   8  0.92  molprobity  1  True  
161  161  ttmt     -123.7   118.2  Favored  Y     13   9  0.59  12  0.61  molprobity  1  True  
162  162  Cg_endo   -75.8   146.9  Favored  ?      7   8  0.53  12  0.52  molprobity  1  True  
163  163  Cg_endo   -68.6   120.0  Favored  ?      7   8  0.60  11  0.38  molprobity  1  True  
164  164  mt        -94.0   116.8  Favored  ?     11   8  0.60  11  0.45  molprobity  1  True  
165  165  m        -124.9   134.6  Favored  ?      4   6  0.82   8  0.69  molprobity  1  True  
166  166  m-85     -109.6   133.1  Favored  ?      9  12  0.52  17  0.58  molprobity  1  True  
167  167  Cg_endo   -54.0   -24.4  Favored  ?      7   8  0.63  11  0.48  molprobity  1  True  
168  168  m-20          ?       ?  ?        ?      4   7  0.36   8  0.59  molprobity  1  True  
169  169  ?             ?       ?  ?        ?      3   4  1.23   5  0.39  molprobity  1  True  
170  170  ttp180   -159.6   109.7  Allowed  ?     13  11  0.70  14  0.50  molprobity  1  True  
171  171  m        -110.2   129.8  Favored  ?      4   6  0.95   8  0.38  molprobity  1  True  
172  172  m-85     -100.2   126.2  Favored  ?      9  13  0.97  18  0.53  molprobity  1  True  
173  173  pttt      -74.8   106.6  Favored  ?     13   9  0.87  11  0.84  molprobity  1  True  
174  174  m        -152.3  -173.6  Favored  ?      5   6  1.08   8  0.71  molprobity  1  True  
175  175  mttm     -121.5   104.7  Favored  Y     13   9  0.47  12  0.59  molprobity  1  True  
176  176  Cg_endo   -81.5   165.1  Favored  ?      7   8  0.65  12  0.46  molprobity  1  True  
177  177  Cg_exo    -63.1   128.2  Favored  ?      7   8  0.58  11  0.39  molprobity  1  True  
178  178  mt        -94.0   105.7  Favored  ?     11   8  0.67  11  0.49  molprobity  1  True  
179  179  m        -106.7   118.7  Favored  ?      4   6  0.97   8  0.35  molprobity  1  True  
180  180  m-85      -88.9   130.6  Favored  ?      9  12  0.59  17  0.67  molprobity  1  True  
181  181  Cg_endo   -49.8   -23.6  Favored  ?      7   8  0.55  11  0.60  molprobity  1  True  
182  182  t70           ?       ?  ?        ?      4   7  0.28   8  0.69  molprobity  1  True  
183  183  ?             ?       ?  ?        ?      3   4  1.16   5  0.50  molprobity  1  True  
184  184  tpp180   -117.3    98.9  Favored  ?     13  11  0.78  14  0.54  molprobity  1  True  
185  185  m        -100.8   126.8  Favored  ?      4   6  1.14   8  0.49  molprobity  1  True  
186  186  t80      -105.0   140.2  Favored  ?      9  13  0.78  18  0.34  molprobity  1  True  
187  187  pttt      -71.4    98.3  Allowed  ?     13   9  0.61  11  0.76  molprobity  1  True  
188  188  m        -149.2   178.2  Favored  ?      5   6  0.53   8  0.49  molprobity  1  True  
189  189  tttt     -124.6   104.3  Favored  Y     13   9  0.44  12  0.63  molprobity  1  True  
190  190  Cg_exo    -76.7   159.2  Favored  ?      7   8  0.80  12  0.56  molprobity  1  True  
191  191  Cg_exo    -59.1   120.9  Favored  ?      7   8  0.58  11  0.45  molprobity  1  True  
192  192  mt        -77.3   103.7  Favored  ?     11   8  0.88  11  0.68  molprobity  1  True  
193  193  t        -121.3   117.0  Favored  ?      4   6  1.17   8  0.76  molprobity  1  True  
194  194  m-85      -77.8   133.5  Favored  ?      9  12  0.69  17  0.59  molprobity  1  True  
195  195  Cg_endo   -46.6   -19.2  Allowed  ?      7   8  0.82  11  0.66  molprobity  1  True  
196  196  t70           ?       ?  ?        ?      4   7  0.44   8  0.67  molprobity  1  True  
197  197  ?             ?       ?  ?        ?      3   4  1.13   5  0.31  molprobity  1  True  
198  198  tpp180   -136.1    86.8  Favored  ?     13  11  0.71  14  0.51  molprobity  1  True  
199  199  m        -101.0   136.8  Favored  ?      4   6  0.85   8  0.34  molprobity  1  True  
200  200  m-85     -105.5   139.1  Favored  ?      9  13  0.63  18  0.26  molprobity  1  True  
201  201  ptmm?     -80.3    83.6  Favored  ?     13   9  0.73  11  0.84  molprobity  1  True  
202  202  m        -152.2   159.9  Favored  ?      5   6  0.97   8  0.60  molprobity  1  True  
203  203  mtmt     -123.9   123.1  Favored  Y     13   9  0.50  12  0.63  molprobity  1  True  
204  204  Cg_endo   -65.5   146.1  Favored  ?      7   8  0.44  12  0.43  molprobity  1  True  
205  205  Cg_exo    -62.2   108.3  Allowed  ?      7   8  0.57  11  0.41  molprobity  1  True  
206  206  mt        -91.2   108.6  Favored  ?     11   8  0.72  11  0.45  molprobity  1  True  
207  207  t        -133.9   139.5  Favored  ?      4   6  0.90   8  0.40  molprobity  1  True  
208  208  m-85      -94.4   132.1  Favored  ?      9  12  0.58  17  0.63  molprobity  1  True  
209  209  Cg_endo   -52.0   -23.4  Favored  ?      7   8  0.54  11  0.60  molprobity  1  True  
210  210  t70           ?       ?  ?        ?      4   7  0.34   8  0.75  molprobity  1  True  
211  211  ?             ?       ?  ?        ?      3   4  0.96   5  0.31  molprobity  1  True  
212  212  tpp180   -138.7   113.3  Favored  ?     13  11  0.84  14  0.83  molprobity  1  True  
213  213  m        -124.2   134.4  Favored  ?      4   6  0.94   8  0.40  molprobity  1  True  
214  214  m-85      -86.9   151.0  Favored  ?      9  13  0.84  18  0.49  molprobity  1  True  
215  215  ptpt      -97.3    -9.9  Favored  ?     13   9  0.64  11  0.51  molprobity  1  True  
216  216  m         -81.7   121.4  Favored  ?      5   6  0.94   8  0.55  molprobity  1  True  
217  217  mttt      -77.7   141.6  Favored  Y     13   9  0.47  12  0.59  molprobity  1  True  
218  218  Cg_endo   -71.2   131.4  Favored  ?      7   8  0.49  12  0.38  molprobity  1  True  
219  219  Cg_exo    -68.4   103.0  Allowed  ?      7   8  0.91  11  0.58  molprobity  1  True  
220  220  mm        -82.6   122.4  Favored  ?     11   8  0.93  11  0.40  molprobity  1  True  
221  221  m        -114.2   124.0  Favored  ?      4   6  1.16   8  0.50  molprobity  1  True  
222  222  m-85      -98.4   132.1  Favored  ?      9  12  0.70  17  0.62  molprobity  1  True  
223  223  Cg_endo   -55.5   -17.9  Favored  ?      7   8  0.46  11  0.39  molprobity  1  True  
224  224  t70           ?       ?  ?        ?      4   7  0.26   8  0.55  molprobity  1  True  
225  225  ?             ?       ?  ?        ?      3   4  1.41   5  0.42  molprobity  1  True  
226  226  tpm_?    -139.4    90.1  Favored  ?     13  11  1.17  14  0.72  molprobity  1  True  
227  227  m        -120.7   139.3  Favored  ?      4   6  1.31   8  0.76  molprobity  1  True  
228  228  m-85      -87.0   137.9  Favored  ?      9  13  0.68  18  0.40  molprobity  1  True  
229  229  tptp      -76.3   -35.7  Favored  ?     13   9  0.54  11  0.39  molprobity  1  True  
230  230  m         -86.0   140.2  Favored  ?      5   6  0.86   8  0.54  molprobity  1  True  
231  231  mttp      -77.1   151.7  Favored  Y     13   9  0.67  12  0.68  molprobity  1  True  
232  232  Cg_endo   -59.4   131.6  Favored  ?      7   8  0.51  12  0.54  molprobity  1  True  
233  233  Cg_endo   -74.3    89.6  Allowed  ?      7   8  0.89  11  0.52  molprobity  1  True  
234  234  mm        -92.0   107.2  Favored  ?     11   8  0.93  11  0.56  molprobity  1  True  
235  235  t        -114.9   105.1  Favored  ?      4   6  0.87   8  0.67  molprobity  1  True  
236  236  m-85      -82.4   131.8  Favored  ?      9  12  0.50  17  0.56  molprobity  1  True  
237  237  Cg_exo    -51.3   -24.2  Favored  ?      7   8  0.50  11  0.55  molprobity  1  True  
238  238  m-20          ?       ?  ?        ?      4   7  0.42   8  0.69  molprobity  1  True  
239  239  ?             ?       ?  ?        ?      3   4  0.86   5  0.30  molprobity  1  True  
240  240  tpp180    -88.1    93.5  Favored  ?     13  11  0.74  14  0.39  molprobity  1  True  
241  241  m        -106.2   128.1  Favored  ?      4   6  0.87   8  0.75  molprobity  1  True  
242  242  m-85     -104.5   133.6  Favored  ?      9  13  0.84  18  0.55  molprobity  1  True  
243  243  tttt      -86.8   -13.1  Favored  ?     13   9  0.43  11  0.70  molprobity  1  True  
244  244  m         -68.1   116.5  Favored  ?      5   6  0.66   8  0.90  molprobity  1  True  
245  245  ttpt      -64.6   131.6  Favored  Y     13   9  0.52  12  0.76  molprobity  1  True  
246  246  Cg_exo    -72.6   131.4  Favored  ?      7   8  0.46  12  0.55  molprobity  1  True  
247  247  Cg_endo   -65.4   113.0  Favored  ?      7   8  0.54  11  0.38  molprobity  1  True  
248  248  pt       -110.6   132.6  Favored  ?     11   8  0.90  11  0.46  molprobity  1  True  
249  249  t        -133.5   132.3  Favored  ?      4   6  1.22   8  0.70  molprobity  1  True  
250  250  m-85      -98.4   132.4  Favored  ?      9  12  0.67  17  0.63  molprobity  1  True  
251  251  Cg_endo   -49.0    -9.8  Allowed  ?      7   8  0.98  11  0.73  molprobity  1  True  
252  252  t70           ?       ?  ?        ?      4   7  0.26   8  0.65  molprobity  1  True  
253  253  ?             ?       ?  ?        ?      3   4  0.86   5  0.45  molprobity  1  True  
254  254  tpp180   -146.1   123.8  Favored  ?     13  11  0.70  14  0.41  molprobity  1  True  
255  255  m        -132.1   141.0  Favored  ?      4   6  0.49   8  0.70  molprobity  1  True  
256  256  m-85      -92.0   137.4  Favored  ?      9  13  0.61  18  0.52  molprobity  1  True  
257  257  mtpt      -80.0    82.3  Favored  ?     13   9  0.76  11  0.66  molprobity  1  True  
258  258  m        -152.4   164.7  Favored  ?      5   6  0.82   8  0.78  molprobity  1  True  
259  259  mttp     -124.0   130.1  Favored  Y     13   9  0.41  12  0.69  molprobity  1  True  
260  260  Cg_exo    -67.9   141.1  Favored  ?      7   8  0.60  12  0.52  molprobity  1  True  
261  261  Cg_endo   -65.9   114.9  Favored  ?      7   8  0.59  11  0.45  molprobity  1  True  
262  262  tp        -89.2   107.9  Favored  ?     11   8  0.89  11  0.55  molprobity  1  True  
263  263  m        -114.6   141.8  Favored  ?      4   6  0.93   8  0.60  molprobity  1  True  
264  264  m-85     -108.8   132.5  Favored  ?      9  12  0.64  17  0.63  molprobity  1  True  
265  265  Cg_endo   -62.6     6.1  Allowed  ?      7   8  0.78  11  0.47  molprobity  1  True  
266  266  t70           ?       ?  ?        ?      4   7  0.21   8  0.76  molprobity  1  True  
267  267  ?             ?       ?  ?        ?      3   4  0.49   5  0.35  molprobity  1  True  
268  268  tpp180    -61.2   121.0  Favored  ?     13  11  0.84  14  0.61  molprobity  1  True  
269  269  m        -131.9   131.8  Favored  ?      4   6  0.95   8  0.51  molprobity  1  True  
270  270  m-85      -86.0   114.2  Favored  ?      9  13  0.86  18  0.59  molprobity  1  True  
271  271  mtpp      -84.7    29.9  Allowed  ?     13   9  0.82  11  0.42  molprobity  1  True  
272  272  m         -96.3  -174.5  Favored  ?      5   6  0.97   8  0.81  molprobity  1  True  
273  273  pttp     -117.8   126.9  Favored  Y     13   9  0.53  12  0.76  molprobity  1  True  
274  274  Cg_endo   -77.9   145.6  Favored  ?      7   8  0.33  12  0.48  molprobity  1  True  
275  275  Cg_endo   -62.6   126.5  Favored  ?      7   8  0.70  11  0.55  molprobity  1  True  
276  276  mt       -106.6   109.4  Favored  ?     11   8  0.69  11  0.45  molprobity  1  True  
277  277  m        -115.0   137.0  Favored  ?      4   6  1.01   8  0.81  molprobity  1  True  
278  278  m-85     -105.8   132.2  Favored  ?      9  12  0.74  17  0.77  molprobity  1  True  
279  279  Cg_endo   -64.2     6.6  Allowed  ?      7   8  0.75  11  0.39  molprobity  1  True  
280  280  m-20          ?       ?  ?        ?      4   7  0.30   8  0.73  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  231  HA  1  0.42  2.34  
2  232  C   1  0.42  2.34  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  3        True  
 2  1        ?     
 3  2        True  
 4  2        ?     
 5  1        ?     
 6  outlier  ?     
 7  1        ?     
 8  outlier  ?     
 9  1        ?     
10  3        ?     
11  1        True  
12  3        ?     
13  1        ?     
14  1        ?     
15  1        ?     
16  2        ?     
17  2        ?     
18  2        ?     
19  1        ?     
20  3        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  14
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.470
_pdbx_vrpt_cyrange_domain.medoid_model        1
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.545
_pdbx_vrpt_cyrange_domain.residue_string      A:1-A:14
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        starch_output
_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           148
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           148
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            148
_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  GLY   1  0.023  
 2  A  ARG   2  0.019  
 3  A  CYS   3  0.013  
 4  A  TYR   4  0.014  
 5  A  LYS   5  0.017  
 6  A  SER   6  0.019  
 7  A  LYS   7  0.020  
 8  A  PRO   8  0.020  
 9  A  PRO   9  0.018  
10  A  ILE  10  0.016  
11  A  CYS  11  0.015  
12  A  PHE  12  0.020  
13  A  PRO  13  0.025  
14  A  ASP  14  0.029  
#
_pdbx_vrpt_chemical_shift_outlier.ordinal        1
_pdbx_vrpt_chemical_shift_outlier.auth_asym_id   A
_pdbx_vrpt_chemical_shift_outlier.rescode        ARG
_pdbx_vrpt_chemical_shift_outlier.auth_seq_id    2
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  NE
_pdbx_vrpt_chemical_shift_outlier.value          125.758
_pdbx_vrpt_chemical_shift_outlier.zscore         25.540
_pdbx_vrpt_chemical_shift_outlier.prediction     76.53~92.65
_pdbx_vrpt_chemical_shift_outlier.method         BMRB-Statistics
#
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  14  
3  CB  0.50  0.00  0.00  12  
4  N   0.50  0.00  0.00  11  
#
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  147  40  187  overall    Total  
 2   50  15   65  backbone   Total  
 3   91  12  103  sidechain  Total  
 4    6  13   19  aromatic   Total  
 5   92   9  101  overall    H      
 6   25   1   26  backbone   H      
 7   61   5   66  sidechain  H      
 8    6   3    9  aromatic   H      
 9   43  27   70  overall    C      
10   14  14   28  backbone   C      
11   29   3   32  sidechain  C      
12    0  10   10  aromatic   C      
13   12   4   16  overall    N      
14   11   0   11  backbone   N      
15    1   4    5  sidechain  N      
#
loop_
_pdbx_vrpt_assign_completeness_full_length.ordinal
_pdbx_vrpt_assign_completeness_full_length.number_of_assigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_unassigned_shifts
_pdbx_vrpt_assign_completeness_full_length.number_of_shifts
_pdbx_vrpt_assign_completeness_full_length.type
_pdbx_vrpt_assign_completeness_full_length.element
 1  147  40  187  overall    Total  
 2   50  15   65  backbone   Total  
 3   91  12  103  sidechain  Total  
 4    6  13   19  aromatic   Total  
 5   92   9  101  overall    H      
 6   25   1   26  backbone   H      
 7   61   5   66  sidechain  H      
 8    6   3    9  aromatic   H      
 9   43  27   70  overall    C      
10   14  14   28  backbone   C      
11   29   3   32  sidechain  C      
12    0  10   10  aromatic   C      
13   12   4   16  overall    N      
14   11   0   11  backbone   N      
15    1   4    5  sidechain  N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                    100  
 2  "Intra-residue (|i-j|=0)"                       34  
 3  "Sequential (|i-j|=1)"                          40  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             5  
 5  "Long range (|i-j|>=5)"                         19  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 2  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               18  
10  "Number of unmapped restraints"                  6  
11  "Number of restraints per residue"             8.4  
12  "Number of long range restraints per residue"  1.5  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  34   34.0  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    31   31.0  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain    3    3.0  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  40   40.0  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone     13   13.0  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    23   23.0  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain    4    4.0  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                   5    5.0  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone      0    0.0  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain     5    5.0  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain    0    0.0  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  19   19.0  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone      8    8.0  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain     7    7.0  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain    4    4.0  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                   2    2.0  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                 100  100.0  0  0.0  0.0  0  0.0  0.0  
24  Total          BackboneBackbone     21   21.0  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain    66   66.0  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain   11   11.0  0  0.0  0.0  0  0.0  0.0  
#
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  0.00  0.00  0.00  0.00  
 2   2  0.00  0.00  0.00  0.00  
 3   3  0.00  0.00  0.00  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  0.00  0.00  0.00  0.00  
 8   8  0.00  0.00  0.00  0.00  
 9   9  0.00  0.00  0.00  0.00  
10  10  0.00  0.00  0.00  0.00  
11  11  0.00  0.00  0.00  0.00  
12  12  0.00  0.00  0.00  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  0.00  0.00  0.00  0.00  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  0.00  0.00  0.00  0.00  
#
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    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
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    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_distance_violation_ensemble.ordinal
_pdbx_vrpt_distance_violation_ensemble.ensemble_distance_count
_pdbx_vrpt_distance_violation_ensemble.dist_rest_type
_pdbx_vrpt_distance_violation_ensemble.violations_count
  1   1  intraresidue  0  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         0  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  0  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         0  
 19   4  intraresidue  0  
 20   4  sequential    0  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         0  
 25   5  intraresidue  0  
 26   5  sequential    0  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         0  
 31   6  intraresidue  0  
 32   6  sequential    0  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         0  
 37   7  intraresidue  0  
 38   7  sequential    0  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         0  
 43   8  intraresidue  0  
 44   8  sequential    0  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         0  
 49   9  intraresidue  0  
 50   9  sequential    0  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         0  
 55  10  intraresidue  0  
 56  10  sequential    0  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         0  
 61  11  intraresidue  0  
 62  11  sequential    0  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         0  
 67  12  intraresidue  0  
 68  12  sequential    0  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         0  
 73  13  intraresidue  0  
 74  13  sequential    0  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         0  
 79  14  intraresidue  0  
 80  14  sequential    0  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         0  
 85  15  intraresidue  0  
 86  15  sequential    0  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         0  
 91  16  intraresidue  0  
 92  16  sequential    0  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         0  
 97  17  intraresidue  0  
 98  17  sequential    0  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         0  
103  18  intraresidue  0  
104  18  sequential    0  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         0  
109  19  intraresidue  0  
110  19  sequential    0  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         0  
115  20  intraresidue  0  
116  20  sequential    0  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         0  
#
loop_
_pdbx_vrpt_dihedralangle_violations_summary.ordinal
_pdbx_vrpt_dihedralangle_violations_summary.restraint_type
_pdbx_vrpt_dihedralangle_violations_summary.restraints_count
_pdbx_vrpt_dihedralangle_violations_summary.percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_count
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.consistently_violated_percent_type
_pdbx_vrpt_dihedralangle_violations_summary.violated_count
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_total
_pdbx_vrpt_dihedralangle_violations_summary.violated_percent_type
1  PHI     8   44.4  0  0.0  0.0  2  11.1  25.0  
2  CHI1    1    5.6  0  0.0  0.0  0   0.0   0.0  
3  PSI     9   50.0  0  0.0  0.0  2  11.1  22.2  
4  Total  18  100.0  0  0.0  0.0  4  22.2  22.2  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model_summary.ordinal
_pdbx_vrpt_dihedralangle_violation_model_summary.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model_summary.max_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.mean_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.median_violation
_pdbx_vrpt_dihedralangle_violation_model_summary.standard_deviation
 1   1  1.90  1.55  1.55  0.35  
 2   2  1.20  1.20  1.20  0.00  
 3   3  1.10  1.10  1.10  0.00  
 4   4  0.00  0.00  0.00  0.00  
 5   5  0.00  0.00  0.00  0.00  
 6   6  0.00  0.00  0.00  0.00  
 7   7  1.60  1.60  1.60  0.00  
 8   8  1.90  1.90  1.90  0.00  
 9   9  1.70  1.70  1.70  0.00  
10  10  1.30  1.30  1.30  0.00  
11  11  1.80  1.80  1.80  0.00  
12  12  1.60  1.60  1.60  0.00  
13  13  0.00  0.00  0.00  0.00  
14  14  2.00  1.70  1.70  0.30  
15  15  0.00  0.00  0.00  0.00  
16  16  0.00  0.00  0.00  0.00  
17  17  0.00  0.00  0.00  0.00  
18  18  0.00  0.00  0.00  0.00  
19  19  0.00  0.00  0.00  0.00  
20  20  1.10  1.10  1.10  0.00  
#
loop_
_pdbx_vrpt_dihedralangle_violation_model.ordinal
_pdbx_vrpt_dihedralangle_violation_model.PDB_model_num
_pdbx_vrpt_dihedralangle_violation_model.ang_rest_type
_pdbx_vrpt_dihedralangle_violation_model.violations_count
 1   1  PHI    1  
 2   1  CHI1   0  
 3   1  PSI    1  
 4   1  Total  2  
 5   2  PHI    0  
 6   2  CHI1   0  
 7   2  PSI    2  
 8   2  Total  2  
 9   3  PHI    0  
10   3  CHI1   0  
11   3  PSI    1  
12   3  Total  1  
13   4  PHI    0  
14   4  CHI1   0  
15   4  PSI    0  
16   4  Total  0  
17   5  PHI    0  
18   5  CHI1   0  
19   5  PSI    0  
20   5  Total  0  
21   6  PHI    0  
22   6  CHI1   0  
23   6  PSI    0  
24   6  Total  0  
25   7  PHI    0  
26   7  CHI1   0  
27   7  PSI    1  
28   7  Total  1  
29   8  PHI    0  
30   8  CHI1   0  
31   8  PSI    1  
32   8  Total  1  
33   9  PHI    0  
34   9  CHI1   0  
35   9  PSI    1  
36   9  Total  1  
37  10  PHI    0  
38  10  CHI1   0  
39  10  PSI    1  
40  10  Total  1  
41  11  PHI    0  
42  11  CHI1   0  
43  11  PSI    1  
44  11  Total  1  
45  12  PHI    0  
46  12  CHI1   0  
47  12  PSI    1  
48  12  Total  1  
49  13  PHI    0  
50  13  CHI1   0  
51  13  PSI    0  
52  13  Total  0  
53  14  PHI    1  
54  14  CHI1   0  
55  14  PSI    1  
56  14  Total  2  
57  15  PHI    0  
58  15  CHI1   0  
59  15  PSI    0  
60  15  Total  0  
61  16  PHI    0  
62  16  CHI1   0  
63  16  PSI    0  
64  16  Total  0  
65  17  PHI    0  
66  17  CHI1   0  
67  17  PSI    0  
68  17  Total  0  
69  18  PHI    0  
70  18  CHI1   0  
71  18  PSI    0  
72  18  Total  0  
73  19  PHI    0  
74  19  CHI1   0  
75  19  PSI    0  
76  19  Total  0  
77  20  PHI    1  
78  20  CHI1   0  
79  20  PSI    0  
80  20  Total  1  
#
loop_
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.id
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_count
_pdbx_vrpt_dihedralangle_violation_ensemble_summary.fraction_of_ensemble_percent
 1   1    5.0  
 2   2   10.0  
 3   3   15.0  
 4   4   20.0  
 5   5   25.0  
 6   6   30.0  
 7   7   35.0  
 8   8   40.0  
 9   9   45.0  
10  10   50.0  
11  11   55.0  
12  12   60.0  
13  13   65.0  
14  14   70.0  
15  15   75.0  
16  16   80.0  
17  17   85.0  
18  18   90.0  
19  19   95.0  
20  20  100.0  
#
loop_
_pdbx_vrpt_dihedralangle_ensemble_violation.ordinal
_pdbx_vrpt_dihedralangle_ensemble_violation.ensemble_dihedral_count
_pdbx_vrpt_dihedralangle_ensemble_violation.ang_rest_type
_pdbx_vrpt_dihedralangle_ensemble_violation.violations_count
 1   1  PHI    1  
 2   1  CHI1   0  
 3   1  PSI    1  
 4   1  Total  2  
 5   2  PHI    1  
 6   2  CHI1   0  
 7   2  PSI    0  
 8   2  Total  1  
 9   3  PHI    0  
10   3  CHI1   0  
11   3  PSI    0  
12   3  Total  0  
13   4  PHI    0  
14   4  CHI1   0  
15   4  PSI    0  
16   4  Total  0  
17   5  PHI    0  
18   5  CHI1   0  
19   5  PSI    0  
20   5  Total  0  
21   6  PHI    0  
22   6  CHI1   0  
23   6  PSI    0  
24   6  Total  0  
25   7  PHI    0  
26   7  CHI1   0  
27   7  PSI    0  
28   7  Total  0  
29   8  PHI    0  
30   8  CHI1   0  
31   8  PSI    0  
32   8  Total  0  
33   9  PHI    0  
34   9  CHI1   0  
35   9  PSI    0  
36   9  Total  0  
37  10  PHI    0  
38  10  CHI1   0  
39  10  PSI    1  
40  10  Total  1  
41  11  PHI    0  
42  11  CHI1   0  
43  11  PSI    0  
44  11  Total  0  
45  12  PHI    0  
46  12  CHI1   0  
47  12  PSI    0  
48  12  Total  0  
49  13  PHI    0  
50  13  CHI1   0  
51  13  PSI    0  
52  13  Total  0  
53  14  PHI    0  
54  14  CHI1   0  
55  14  PSI    0  
56  14  Total  0  
57  15  PHI    0  
58  15  CHI1   0  
59  15  PSI    0  
60  15  Total  0  
61  16  PHI    0  
62  16  CHI1   0  
63  16  PSI    0  
64  16  Total  0  
65  17  PHI    0  
66  17  CHI1   0  
67  17  PSI    0  
68  17  Total  0  
69  18  PHI    0  
70  18  CHI1   0  
71  18  PSI    0  
72  18  Total  0  
73  19  PHI    0  
74  19  CHI1   0  
75  19  PSI    0  
76  19  Total  0  
77  20  PHI    0  
78  20  CHI1   0  
79  20  PSI    0  
80  20  Total  0  
#
loop_
_pdbx_vrpt_residual_angle_violations.ordinal
_pdbx_vrpt_residual_angle_violations.bins
_pdbx_vrpt_residual_angle_violations.max_violation
_pdbx_vrpt_residual_angle_violations.violations_per_model
1  1.0-10.0   2.0   0.7   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
loop_
_pdbx_vrpt_most_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_most_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_most_violated_dihedralangle_restraints.chain_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.altcode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resnum_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.resname_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.seq_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.said_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.ent_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.icode_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_most_violated_dihedralangle_restraints.violated_models
_pdbx_vrpt_most_violated_dihedralangle_restraints.mean_angle_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.median_violation
_pdbx_vrpt_most_violated_dihedralangle_restraints.standard_deviation
1  16  1  .  A  12  PHE  ?     1  A  12  N  A  .  12  PHE  12  A  1  ?     CA  .  A  12  PHE  ?     1  A  12  C   A  .  13  PRO  13  A  1  ?     N  10  1.61  1.65  0.30  
2   7  1  .  A   6  SER  ?     1  A   6  C  A  .   7  LYS   7  A  1  ?     N   .  A   7  LYS  ?     1  A   7  CA  A  .   7  LYS   7  A  1  ?     C   2  1.30  1.30  0.10  
#
loop_
_pdbx_vrpt_violated_dihedralangle_restraints.ordinal
_pdbx_vrpt_violated_dihedralangle_restraints.rest_id
_pdbx_vrpt_violated_dihedralangle_restraints.rlist_id
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_1
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_2
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_3
_pdbx_vrpt_violated_dihedralangle_restraints.instance_id_4
_pdbx_vrpt_violated_dihedralangle_restraints.atom_1
_pdbx_vrpt_violated_dihedralangle_restraints.atom_2
_pdbx_vrpt_violated_dihedralangle_restraints.atom_3
_pdbx_vrpt_violated_dihedralangle_restraints.atom_4
_pdbx_vrpt_violated_dihedralangle_restraints.violation
 1  16  1  194  194  194  195  N  CA  C   N  2.00  
 2  16  1   12   12   12   13  N  CA  C   N  1.90  
 3  16  1  110  110  110  111  N  CA  C   N  1.90  
 4  16  1  152  152  152  153  N  CA  C   N  1.80  
 5  16  1  124  124  124  125  N  CA  C   N  1.70  
 6  16  1   96   96   96   97  N  CA  C   N  1.60  
 7  16  1  166  166  166  167  N  CA  C   N  1.60  
 8   7  1  188  189  189  189  C  N   CA  C  1.40  
 9  16  1  138  138  138  139  N  CA  C   N  1.30  
10   7  1    6    7    7    7  C  N   CA  C  1.20  
11   2  1   17   17   17   18  N  CA  C   N  1.20  
12  16  1   26   26   26   27  N  CA  C   N  1.20  
13   3  1  269  270  270  270  C  N   CA  C  1.10  
14  16  1   40   40   40   41  N  CA  C   N  1.10  
#
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  
##
