data_6NOX

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   6NOX   
BMRB  30562  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    6NOX
_pdbx_vrpt_summary.PDB_deposition_date         2019-01-16
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-03:20:16
_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  "SFTI-KLK5 Peptide"
#
_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    0.64  
 2  4  2  A   1  1  A    0.64  
 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  100.00  
10  4  2  A   3  1  A  100.00  
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  100.00  
18  4  2  A   5  1  A  100.00  
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  100.00  
36  6  3  A   9  1  A  100.00  
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  100.00  
44  6  3  A  11  1  A  100.00  
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    0.64  
50  4  2  A  13  1  A    0.64  
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   12.54  
68  6  3  A  17  1  A   12.54  
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   12.54  
72  6  3  A  18  1  A   12.54  
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  0.61  0.80  125  171  
 2   2  1  A  A  0.61  0.79  125  171  
 3   3  1  A  A  0.62  0.74  125  171  
 4   4  1  A  A  0.63  0.78  125  171  
 5   5  1  A  A  0.58  0.73  125  171  
 6   6  1  A  A  0.54  0.73  125  171  
 7   7  1  A  A  0.59  0.74  125  171  
 8   8  1  A  A  0.60  0.87  125  171  
 9   9  1  A  A  0.50  0.80  125  171  
10  10  1  A  A  0.55  0.71  125  171  
11  11  1  A  A  0.52  0.79  125  171  
12  12  1  A  A  0.51  0.72  125  171  
13  13  1  A  A  0.58  0.80  125  171  
14  14  1  A  A  0.51  0.67  125  171  
15  15  1  A  A  0.61  0.76  125  171  
16  16  1  A  A  0.55  0.75  125  171  
17  17  1  A  A  0.59  0.72  125  171  
18  18  1  A  A  0.61  0.73  125  171  
19  19  1  A  A  0.57  0.68  125  171  
20  20  1  A  A  0.58  0.72  125  171  
#
_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                               1940
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2500
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.75
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            3420
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.57
#
_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              1
_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              74.86
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  74.86
#
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  PHE  A   2  .  ?        ?  
  3   1  1  A   3  CYS  A   3  .  ?        ?  
  4   1  1  A   4  HIS  A   4  .  ?        ?  
  5   1  1  A   5  ARG  A   5  .  ?        ?  
  6   1  1  A   6  SER  A   6  .  ?        ?  
  7   1  1  A   7  TYR  A   7  .  ?        ?  
  8   1  1  A   8  PRO  A   8  .  ?        ?  
  9   1  1  A   9  PRO  A   9  .  ?        ?  
 10   1  1  A  10  GLU  A  10  .  ?        ?  
 11   1  1  A  11  CYS  A  11  .  ?        ?  
 12   1  1  A  12  TRP  A  12  .  ?        ?  
 13   1  1  A  13  PRO  A  13  .  ?        ?  
 14   1  1  A  14  ASN  A  14  .  ?        ?  
 15   2  1  A   1  GLY  A   1  .  ?        ?  
 16   2  1  A   2  PHE  A   2  .  ?        ?  
 17   2  1  A   3  CYS  A   3  .  ?        ?  
 18   2  1  A   4  HIS  A   4  .  ?        ?  
 19   2  1  A   5  ARG  A   5  .  ?        ?  
 20   2  1  A   6  SER  A   6  .  ?        ?  
 21   2  1  A   7  TYR  A   7  .  ?        ?  
 22   2  1  A   8  PRO  A   8  .  ?        ?  
 23   2  1  A   9  PRO  A   9  .  ?        ?  
 24   2  1  A  10  GLU  A  10  .  ?        ?  
 25   2  1  A  11  CYS  A  11  .  ?        ?  
 26   2  1  A  12  TRP  A  12  .  ?        ?  
 27   2  1  A  13  PRO  A  13  .  ?        ?  
 28   2  1  A  14  ASN  A  14  .  ?        ?  
 29   3  1  A   1  GLY  A   1  .  ?        ?  
 30   3  1  A   2  PHE  A   2  .  ?        ?  
 31   3  1  A   3  CYS  A   3  .  ?        ?  
 32   3  1  A   4  HIS  A   4  .  ?        ?  
 33   3  1  A   5  ARG  A   5  .  ?        ?  
 34   3  1  A   6  SER  A   6  .  ?        ?  
 35   3  1  A   7  TYR  A   7  .  ?        ?  
 36   3  1  A   8  PRO  A   8  .  ?        ?  
 37   3  1  A   9  PRO  A   9  .  ?        ?  
 38   3  1  A  10  GLU  A  10  .  ?        ?  
 39   3  1  A  11  CYS  A  11  .  ?        ?  
 40   3  1  A  12  TRP  A  12  .  ?        ?  
 41   3  1  A  13  PRO  A  13  .  ?        ?  
 42   3  1  A  14  ASN  A  14  .  ?        ?  
 43   4  1  A   1  GLY  A   1  .  ?        ?  
 44   4  1  A   2  PHE  A   2  .  ?        ?  
 45   4  1  A   3  CYS  A   3  .  ?        ?  
 46   4  1  A   4  HIS  A   4  .  ?        ?  
 47   4  1  A   5  ARG  A   5  .  ?        ?  
 48   4  1  A   6  SER  A   6  .  ?        ?  
 49   4  1  A   7  TYR  A   7  .  ?        ?  
 50   4  1  A   8  PRO  A   8  .  ?        ?  
 51   4  1  A   9  PRO  A   9  .  ?        ?  
 52   4  1  A  10  GLU  A  10  .  ?        ?  
 53   4  1  A  11  CYS  A  11  .  ?        ?  
 54   4  1  A  12  TRP  A  12  .  ?        ?  
 55   4  1  A  13  PRO  A  13  .  ?        ?  
 56   4  1  A  14  ASN  A  14  .  ?        ?  
 57   5  1  A   1  GLY  A   1  .  ?        ?  
 58   5  1  A   2  PHE  A   2  .  ?        ?  
 59   5  1  A   3  CYS  A   3  .  ?        ?  
 60   5  1  A   4  HIS  A   4  .  ?        ?  
 61   5  1  A   5  ARG  A   5  .  ?        ?  
 62   5  1  A   6  SER  A   6  .  ?        ?  
 63   5  1  A   7  TYR  A   7  .  ?        ?  
 64   5  1  A   8  PRO  A   8  .  ?        ?  
 65   5  1  A   9  PRO  A   9  .  ?        ?  
 66   5  1  A  10  GLU  A  10  .  ?        ?  
 67   5  1  A  11  CYS  A  11  .  ?        ?  
 68   5  1  A  12  TRP  A  12  .  ?        ?  
 69   5  1  A  13  PRO  A  13  .  ?        ?  
 70   5  1  A  14  ASN  A  14  .  ?        ?  
 71   6  1  A   1  GLY  A   1  .  ?        ?  
 72   6  1  A   2  PHE  A   2  .  ?        ?  
 73   6  1  A   3  CYS  A   3  .  ?        ?  
 74   6  1  A   4  HIS  A   4  .  ?        ?  
 75   6  1  A   5  ARG  A   5  .  ?        ?  
 76   6  1  A   6  SER  A   6  .  ?        ?  
 77   6  1  A   7  TYR  A   7  .  ?        ?  
 78   6  1  A   8  PRO  A   8  .  ?        ?  
 79   6  1  A   9  PRO  A   9  .  ?        ?  
 80   6  1  A  10  GLU  A  10  .  ?        ?  
 81   6  1  A  11  CYS  A  11  .  ?        ?  
 82   6  1  A  12  TRP  A  12  .  ?        ?  
 83   6  1  A  13  PRO  A  13  .  ?        ?  
 84   6  1  A  14  ASN  A  14  .  ?        ?  
 85   7  1  A   1  GLY  A   1  .  ?        ?  
 86   7  1  A   2  PHE  A   2  .  ?        ?  
 87   7  1  A   3  CYS  A   3  .  ?        ?  
 88   7  1  A   4  HIS  A   4  .  ?        ?  
 89   7  1  A   5  ARG  A   5  .  ?        ?  
 90   7  1  A   6  SER  A   6  .  ?        ?  
 91   7  1  A   7  TYR  A   7  .  ?        ?  
 92   7  1  A   8  PRO  A   8  .  ?        ?  
 93   7  1  A   9  PRO  A   9  .  ?        ?  
 94   7  1  A  10  GLU  A  10  .  ?        ?  
 95   7  1  A  11  CYS  A  11  .  ?        ?  
 96   7  1  A  12  TRP  A  12  .  ?        ?  
 97   7  1  A  13  PRO  A  13  .  ?        ?  
 98   7  1  A  14  ASN  A  14  .  ?        ?  
 99   8  1  A   1  GLY  A   1  .  ?        ?  
100   8  1  A   2  PHE  A   2  .  ?        ?  
101   8  1  A   3  CYS  A   3  .  ?        ?  
102   8  1  A   4  HIS  A   4  .  ?        ?  
103   8  1  A   5  ARG  A   5  .  ?        ?  
104   8  1  A   6  SER  A   6  .  ?        ?  
105   8  1  A   7  TYR  A   7  .  ?        ?  
106   8  1  A   8  PRO  A   8  .  ?        ?  
107   8  1  A   9  PRO  A   9  .  ?        ?  
108   8  1  A  10  GLU  A  10  .  ?        ?  
109   8  1  A  11  CYS  A  11  .  ?        ?  
110   8  1  A  12  TRP  A  12  .  ?        ?  
111   8  1  A  13  PRO  A  13  .  ?        ?  
112   8  1  A  14  ASN  A  14  .  ?        ?  
113   9  1  A   1  GLY  A   1  .  ?        ?  
114   9  1  A   2  PHE  A   2  .  ?        ?  
115   9  1  A   3  CYS  A   3  .  ?        ?  
116   9  1  A   4  HIS  A   4  .  ?        ?  
117   9  1  A   5  ARG  A   5  .  ?        ?  
118   9  1  A   6  SER  A   6  .  ?        ?  
119   9  1  A   7  TYR  A   7  .  ?        ?  
120   9  1  A   8  PRO  A   8  .  ?        ?  
121   9  1  A   9  PRO  A   9  .  ?        ?  
122   9  1  A  10  GLU  A  10  .  ?        ?  
123   9  1  A  11  CYS  A  11  .  ?        ?  
124   9  1  A  12  TRP  A  12  .  ?        ?  
125   9  1  A  13  PRO  A  13  .  ?        ?  
126   9  1  A  14  ASN  A  14  .  ?        ?  
127  10  1  A   1  GLY  A   1  .  ?        ?  
128  10  1  A   2  PHE  A   2  .  ?        ?  
129  10  1  A   3  CYS  A   3  .  ?        ?  
130  10  1  A   4  HIS  A   4  .  ?        ?  
131  10  1  A   5  ARG  A   5  .  ?        ?  
132  10  1  A   6  SER  A   6  .  ?        ?  
133  10  1  A   7  TYR  A   7  .  ?        ?  
134  10  1  A   8  PRO  A   8  .  ?        ?  
135  10  1  A   9  PRO  A   9  .  ?        ?  
136  10  1  A  10  GLU  A  10  .  ?        ?  
137  10  1  A  11  CYS  A  11  .  ?        ?  
138  10  1  A  12  TRP  A  12  .  ?        ?  
139  10  1  A  13  PRO  A  13  .  ?        ?  
140  10  1  A  14  ASN  A  14  .  ?        ?  
141  11  1  A   1  GLY  A   1  .  ?        ?  
142  11  1  A   2  PHE  A   2  .  ?        ?  
143  11  1  A   3  CYS  A   3  .  ?        ?  
144  11  1  A   4  HIS  A   4  .  ?        ?  
145  11  1  A   5  ARG  A   5  .  ?        ?  
146  11  1  A   6  SER  A   6  .  ?        ?  
147  11  1  A   7  TYR  A   7  .  ?        ?  
148  11  1  A   8  PRO  A   8  .  ?        ?  
149  11  1  A   9  PRO  A   9  .  ?        ?  
150  11  1  A  10  GLU  A  10  .  ?        ?  
151  11  1  A  11  CYS  A  11  .  ?        ?  
152  11  1  A  12  TRP  A  12  .  ?        ?  
153  11  1  A  13  PRO  A  13  .  ?        ?  
154  11  1  A  14  ASN  A  14  .  ?        ?  
155  12  1  A   1  GLY  A   1  .  ?        ?  
156  12  1  A   2  PHE  A   2  .  ?        ?  
157  12  1  A   3  CYS  A   3  .  ?        ?  
158  12  1  A   4  HIS  A   4  .  ?        ?  
159  12  1  A   5  ARG  A   5  .  ?        ?  
160  12  1  A   6  SER  A   6  .  ?        ?  
161  12  1  A   7  TYR  A   7  .  ?        ?  
162  12  1  A   8  PRO  A   8  .  ?        ?  
163  12  1  A   9  PRO  A   9  .  ?        ?  
164  12  1  A  10  GLU  A  10  .  ?        ?  
165  12  1  A  11  CYS  A  11  .  ?        ?  
166  12  1  A  12  TRP  A  12  .  ?        ?  
167  12  1  A  13  PRO  A  13  .  ?        ?  
168  12  1  A  14  ASN  A  14  .  ?        ?  
169  13  1  A   1  GLY  A   1  .  ?        ?  
170  13  1  A   2  PHE  A   2  .  ?        ?  
171  13  1  A   3  CYS  A   3  .  ?        ?  
172  13  1  A   4  HIS  A   4  .  ?        ?  
173  13  1  A   5  ARG  A   5  .  ?        ?  
174  13  1  A   6  SER  A   6  .  ?        ?  
175  13  1  A   7  TYR  A   7  .  ?        ?  
176  13  1  A   8  PRO  A   8  .  ?        ?  
177  13  1  A   9  PRO  A   9  .  ?        ?  
178  13  1  A  10  GLU  A  10  .  ?        ?  
179  13  1  A  11  CYS  A  11  .  ?        ?  
180  13  1  A  12  TRP  A  12  .  ?        ?  
181  13  1  A  13  PRO  A  13  .  ?        ?  
182  13  1  A  14  ASN  A  14  .  ?        ?  
183  14  1  A   1  GLY  A   1  .  ?        ?  
184  14  1  A   2  PHE  A   2  .  ?        ?  
185  14  1  A   3  CYS  A   3  .  ?        ?  
186  14  1  A   4  HIS  A   4  .  ?        ?  
187  14  1  A   5  ARG  A   5  .  ?        ?  
188  14  1  A   6  SER  A   6  .  ?        ?  
189  14  1  A   7  TYR  A   7  .  ?        ?  
190  14  1  A   8  PRO  A   8  .  ?        ?  
191  14  1  A   9  PRO  A   9  .  ?        ?  
192  14  1  A  10  GLU  A  10  .  ?        ?  
193  14  1  A  11  CYS  A  11  .  ?        ?  
194  14  1  A  12  TRP  A  12  .  ?        ?  
195  14  1  A  13  PRO  A  13  .  ?        ?  
196  14  1  A  14  ASN  A  14  .  ?        ?  
197  15  1  A   1  GLY  A   1  .  ?        ?  
198  15  1  A   2  PHE  A   2  .  ?        ?  
199  15  1  A   3  CYS  A   3  .  ?        ?  
200  15  1  A   4  HIS  A   4  .  ?        ?  
201  15  1  A   5  ARG  A   5  .  ?        ?  
202  15  1  A   6  SER  A   6  .  ?        ?  
203  15  1  A   7  TYR  A   7  .  ?        ?  
204  15  1  A   8  PRO  A   8  .  ?        ?  
205  15  1  A   9  PRO  A   9  .  ?        ?  
206  15  1  A  10  GLU  A  10  .  ?        ?  
207  15  1  A  11  CYS  A  11  .  ?        ?  
208  15  1  A  12  TRP  A  12  .  ?        ?  
209  15  1  A  13  PRO  A  13  .  ?        ?  
210  15  1  A  14  ASN  A  14  .  ?        ?  
211  16  1  A   1  GLY  A   1  .  ?        ?  
212  16  1  A   2  PHE  A   2  .  ?        ?  
213  16  1  A   3  CYS  A   3  .  ?        ?  
214  16  1  A   4  HIS  A   4  .  ?        ?  
215  16  1  A   5  ARG  A   5  .  ?        ?  
216  16  1  A   6  SER  A   6  .  ?        ?  
217  16  1  A   7  TYR  A   7  .  ?        ?  
218  16  1  A   8  PRO  A   8  .  ?        ?  
219  16  1  A   9  PRO  A   9  .  ?        ?  
220  16  1  A  10  GLU  A  10  .  ?        ?  
221  16  1  A  11  CYS  A  11  .  ?        ?  
222  16  1  A  12  TRP  A  12  .  ?        ?  
223  16  1  A  13  PRO  A  13  .  ?        ?  
224  16  1  A  14  ASN  A  14  .  ?        ?  
225  17  1  A   1  GLY  A   1  .  ?        ?  
226  17  1  A   2  PHE  A   2  .  ?        ?  
227  17  1  A   3  CYS  A   3  .  ?        ?  
228  17  1  A   4  HIS  A   4  .  ?        ?  
229  17  1  A   5  ARG  A   5  .  ?        ?  
230  17  1  A   6  SER  A   6  .  ?        ?  
231  17  1  A   7  TYR  A   7  .  ?        ?  
232  17  1  A   8  PRO  A   8  .  ?        ?  
233  17  1  A   9  PRO  A   9  .  ?        ?  
234  17  1  A  10  GLU  A  10  .  ?        ?  
235  17  1  A  11  CYS  A  11  .  ?        ?  
236  17  1  A  12  TRP  A  12  .  ?        ?  
237  17  1  A  13  PRO  A  13  .  ?        ?  
238  17  1  A  14  ASN  A  14  .  ?        ?  
239  18  1  A   1  GLY  A   1  .  ?        ?  
240  18  1  A   2  PHE  A   2  .  ?        ?  
241  18  1  A   3  CYS  A   3  .  ?        ?  
242  18  1  A   4  HIS  A   4  .  ?        ?  
243  18  1  A   5  ARG  A   5  .  ?        ?  
244  18  1  A   6  SER  A   6  .  ?        ?  
245  18  1  A   7  TYR  A   7  .  ?        ?  
246  18  1  A   8  PRO  A   8  .  ?        ?  
247  18  1  A   9  PRO  A   9  .  ?        ?  
248  18  1  A  10  GLU  A  10  .  ?        ?  
249  18  1  A  11  CYS  A  11  .  ?        ?  
250  18  1  A  12  TRP  A  12  .  ?        ?  
251  18  1  A  13  PRO  A  13  .  ?        ?  
252  18  1  A  14  ASN  A  14  .  ?        ?  
253  19  1  A   1  GLY  A   1  .  ?        ?  
254  19  1  A   2  PHE  A   2  .  ?        ?  
255  19  1  A   3  CYS  A   3  .  ?        ?  
256  19  1  A   4  HIS  A   4  .  ?        ?  
257  19  1  A   5  ARG  A   5  .  ?        ?  
258  19  1  A   6  SER  A   6  .  ?        ?  
259  19  1  A   7  TYR  A   7  .  ?        ?  
260  19  1  A   8  PRO  A   8  .  ?        ?  
261  19  1  A   9  PRO  A   9  .  ?        ?  
262  19  1  A  10  GLU  A  10  .  ?        ?  
263  19  1  A  11  CYS  A  11  .  ?        ?  
264  19  1  A  12  TRP  A  12  .  ?        ?  
265  19  1  A  13  PRO  A  13  .  ?        ?  
266  19  1  A  14  ASN  A  14  .  ?        ?  
267  20  1  A   1  GLY  A   1  .  ?        ?  
268  20  1  A   2  PHE  A   2  .  ?        ?  
269  20  1  A   3  CYS  A   3  .  ?        ?  
270  20  1  A   4  HIS  A   4  .  ?        1  
271  20  1  A   5  ARG  A   5  .  ?        ?  
272  20  1  A   6  SER  A   6  .  ?        ?  
273  20  1  A   7  TYR  A   7  .  ?        ?  
274  20  1  A   8  PRO  A   8  .  ?        ?  
275  20  1  A   9  PRO  A   9  .  ?        ?  
276  20  1  A  10  GLU  A  10  .  ?        ?  
277  20  1  A  11  CYS  A  11  .  ?        ?  
278  20  1  A  12  TRP  A  12  .  ?        1  
279  20  1  A  13  PRO  A  13  .  ?        ?  
280  20  1  A  14  ASN  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  0.94   5  0.37  molprobity  1  True  
  2    2  t80       -88.6   120.0  Favored  ?      9  12  0.70  16  0.48  molprobity  1  True  
  3    3  m        -111.2   140.1  Favored  ?      4   6  0.87   8  0.48  molprobity  1  True  
  4    4  m170      -99.7   136.1  Favored  ?      7  11  0.76  15  0.43  molprobity  1  True  
  5    5  ttt180    -86.4    79.5  Favored  ?     13  11  1.00  14  1.06  molprobity  1  True  
  6    6  p        -107.4  -169.4  Allowed  ?      5   6  1.08   8  1.05  molprobity  1  True  
  7    7  t80      -139.9   103.3  Favored  Y      9  13  0.51  19  0.72  molprobity  1  True  
  8    8  Cg_endo   -73.3   146.6  Favored  ?      7   8  0.48  12  0.53  molprobity  1  True  
  9    9  Cg_endo   -60.1   116.7  Favored  ?      7   8  0.52  11  0.39  molprobity  1  True  
 10   10  mt-10     -88.4   124.7  Favored  ?      6   9  1.18  12  0.57  molprobity  1  True  
 11   11  t        -132.7   146.4  Favored  ?      4   6  1.20   8  0.45  molprobity  1  True  
 12   12  m-90     -117.4   158.3  Favored  ?     10  16  0.52  24  0.48  molprobity  1  True  
 13   13  Cg_endo   -65.3    18.4  OUTLIER  ?      7   8  0.94  11  0.49  molprobity  1  True  
 14   14  t-20          ?       ?  ?        ?      6   7  0.58   8  0.45  molprobity  1  True  
 15   15  ?             ?       ?  ?        ?      3   4  0.99   5  0.36  molprobity  1  True  
 16   16  t80       -88.2    99.7  Favored  ?      9  12  0.74  16  0.48  molprobity  1  True  
 17   17  m        -105.1   113.4  Favored  ?      4   6  1.19   8  0.64  molprobity  1  True  
 18   18  t60       -77.4   139.1  Favored  ?      7  11  0.65  15  0.48  molprobity  1  True  
 19   19  tmm_?     -83.2    89.5  Favored  ?     13  11  0.96  14  0.95  molprobity  1  True  
 20   20  p        -132.8  -175.3  Favored  ?      5   6  1.14   8  0.69  molprobity  1  True  
 21   21  t80      -134.9   102.9  Favored  Y      9  13  0.78  19  0.66  molprobity  1  True  
 22   22  Cg_exo    -73.8   157.2  Favored  ?      7   8  0.78  12  0.57  molprobity  1  True  
 23   23  Cg_endo   -65.1   118.7  Favored  ?      7   8  0.54  11  0.33  molprobity  1  True  
 24   24  tp10      -82.4   120.7  Favored  ?      6   9  0.79  12  0.74  molprobity  1  True  
 25   25  t        -130.7   148.1  Favored  ?      4   6  0.99   8  0.56  molprobity  1  True  
 26   26  m-90     -115.1   143.0  Favored  ?     10  16  0.56  24  0.50  molprobity  1  True  
 27   27  Cg_endo   -54.5   -10.9  Favored  ?      7   8  0.71  11  0.69  molprobity  1  True  
 28   28  m-20          ?       ?  ?        ?      6   7  0.46   8  0.60  molprobity  1  True  
 29   29  ?             ?       ?  ?        ?      3   4  1.21   5  0.75  molprobity  1  True  
 30   30  t80      -130.4   133.7  Favored  ?      9  12  0.68  16  0.41  molprobity  1  True  
 31   31  m        -137.2   152.7  Favored  ?      4   6  0.69   8  0.57  molprobity  1  True  
 32   32  m-70     -115.0   147.5  Favored  ?      7  11  0.67  15  0.77  molprobity  1  True  
 33   33  mmm180    -92.3    52.6  Allowed  ?     13  11  0.76  14  0.74  molprobity  1  True  
 34   34  p         -88.8  -167.3  Allowed  ?      5   6  1.18   8  1.06  molprobity  1  True  
 35   35  t80      -135.5   103.6  Favored  Y      9  13  0.68  19  0.61  molprobity  1  True  
 36   36  Cg_exo    -77.3   151.9  Favored  ?      7   8  0.63  12  0.54  molprobity  1  True  
 37   37  Cg_endo   -78.7   112.6  Favored  ?      7   8  0.75  11  0.31  molprobity  1  True  
 38   38  pt-20    -108.6   160.0  Favored  ?      6   9  0.79  12  0.81  molprobity  1  True  
 39   39  m        -128.5   150.6  Favored  ?      4   6  0.81   8  0.48  molprobity  1  True  
 40   40  m-90     -114.0   145.6  Favored  ?     10  16  0.54  24  0.52  molprobity  1  True  
 41   41  Cg_exo    -50.8   -22.9  Favored  ?      7   8  0.68  11  0.49  molprobity  1  True  
 42   42  t30           ?       ?  ?        ?      6   7  0.65   8  0.37  molprobity  1  True  
 43   43  ?             ?       ?  ?        ?      3   4  0.87   5  0.50  molprobity  1  True  
 44   44  t80      -147.8   136.1  Favored  ?      9  12  0.68  16  0.36  molprobity  1  True  
 45   45  m        -130.9   144.1  Favored  ?      4   6  1.00   8  0.50  molprobity  1  True  
 46   46  t-80      -98.6   128.1  Favored  ?      7  11  0.63  15  0.55  molprobity  1  True  
 47   47  mmm180    -84.7    71.3  Favored  ?     13  11  0.93  14  1.11  molprobity  1  True  
 48   48  p        -104.5  -164.9  Allowed  ?      5   6  1.25   8  1.17  molprobity  1  True  
 49   49  t80      -145.2   106.3  Favored  Y      9  13  0.68  19  0.77  molprobity  1  True  
 50   50  Cg_endo   -71.1   147.3  Favored  ?      7   8  0.65  12  0.44  molprobity  1  True  
 51   51  Cg_exo    -72.7   118.2  Favored  ?      7   8  0.61  11  0.45  molprobity  1  True  
 52   52  mt-10     -88.3   137.2  Favored  ?      6   9  0.98  12  0.44  molprobity  1  True  
 53   53  m        -122.4   147.9  Favored  ?      4   6  0.80   8  0.38  molprobity  1  True  
 54   54  m-90     -117.4   159.4  Favored  ?     10  16  0.49  24  0.40  molprobity  1  True  
 55   55  Cg_exo    -75.4    40.5  Allowed  ?      7   8  0.82  11  0.64  molprobity  1  True  
 56   56  m120          ?       ?  ?        ?      6   7  0.69   8  0.54  molprobity  1  True  
 57   57  ?             ?       ?  ?        ?      3   4  0.56   5  0.87  molprobity  1  True  
 58   58  t80      -156.2   134.3  Favored  ?      9  12  0.72  16  0.30  molprobity  1  True  
 59   59  m        -117.1   145.2  Favored  ?      4   6  0.96   8  0.60  molprobity  1  True  
 60   60  t60       -90.4   126.9  Favored  ?      7  11  0.59  15  0.44  molprobity  1  True  
 61   61  ptm180    -83.8    87.7  Favored  ?     13  11  0.82  14  0.97  molprobity  1  True  
 62   62  p        -134.5  -163.5  Allowed  ?      5   6  0.85   8  0.71  molprobity  1  True  
 63   63  t80      -145.2   116.0  Favored  Y      9  13  0.54  19  0.54  molprobity  1  True  
 64   64  Cg_exo    -72.6   133.5  Favored  ?      7   8  0.55  12  0.56  molprobity  1  True  
 65   65  Cg_endo   -62.0   120.1  Favored  ?      7   8  0.74  11  0.42  molprobity  1  True  
 66   66  tt0       -93.9   131.5  Favored  ?      6   9  0.95  12  0.64  molprobity  1  True  
 67   67  t        -124.4   140.6  Favored  ?      4   6  1.19   8  0.42  molprobity  1  True  
 68   68  m-90     -116.9   159.7  Favored  ?     10  16  0.45  24  0.55  molprobity  1  True  
 69   69  Cg_endo   -73.5    38.3  Allowed  ?      7   8  0.85  11  0.46  molprobity  1  True  
 70   70  m-20          ?       ?  ?        ?      6   7  0.54   8  0.54  molprobity  1  True  
 71   71  ?             ?       ?  ?        ?      3   4  1.17   5  0.71  molprobity  1  True  
 72   72  t80      -161.3   120.9  Favored  ?      9  12  0.68  16  0.24  molprobity  1  True  
 73   73  m        -115.6   124.2  Favored  ?      4   6  0.85   8  0.37  molprobity  1  True  
 74   74  t-80      -89.4   131.4  Favored  ?      7  11  0.55  15  0.38  molprobity  1  True  
 75   75  ttt180    -81.2    89.9  Favored  ?     13  11  0.88  14  0.76  molprobity  1  True  
 76   76  p        -137.8  -171.0  Favored  ?      5   6  1.24   8  0.80  molprobity  1  True  
 77   77  t80      -131.0   112.7  Favored  Y      9  13  0.60  19  0.54  molprobity  1  True  
 78   78  Cg_exo    -75.7   155.2  Favored  ?      7   8  0.71  12  0.49  molprobity  1  True  
 79   79  Cg_endo   -66.4   117.7  Favored  ?      7   8  0.67  11  0.43  molprobity  1  True  
 80   80  tp10      -98.7   137.7  Favored  ?      6   9  0.82  12  0.70  molprobity  1  True  
 81   81  m        -119.6   146.8  Favored  ?      4   6  0.85   8  0.41  molprobity  1  True  
 82   82  m-90     -117.2   146.8  Favored  ?     10  16  0.47  24  0.43  molprobity  1  True  
 83   83  Cg_exo    -56.1   -22.2  Favored  ?      7   8  0.53  11  0.62  molprobity  1  True  
 84   84  m120          ?       ?  ?        ?      6   7  0.52   8  0.63  molprobity  1  True  
 85   85  ?             ?       ?  ?        ?      3   4  0.57   5  0.24  molprobity  1  True  
 86   86  p90       -89.5   138.5  Favored  ?      9  12  0.57  16  0.45  molprobity  1  True  
 87   87  m        -130.9   140.0  Favored  ?      4   6  0.79   8  0.85  molprobity  1  True  
 88   88  m170      -93.7   137.1  Favored  ?      7  11  0.67  15  0.44  molprobity  1  True  
 89   89  mtp180    -81.1    83.8  Favored  ?     13  11  0.81  14  0.77  molprobity  1  True  
 90   90  p        -115.9  -171.8  Favored  ?      5   6  1.09   8  1.02  molprobity  1  True  
 91   91  t80      -145.8   104.2  Favored  Y      9  13  0.71  19  0.63  molprobity  1  True  
 92   92  Cg_exo    -66.1   145.2  Favored  ?      7   8  0.60  12  0.56  molprobity  1  True  
 93   93  Cg_endo   -69.1   131.2  Favored  ?      7   8  0.63  11  0.36  molprobity  1  True  
 94   94  tt0       -83.6   114.4  Favored  ?      6   9  0.97  12  0.77  molprobity  1  True  
 95   95  t        -127.8   157.0  Favored  ?      4   6  1.03   8  0.49  molprobity  1  True  
 96   96  m-90     -116.8   139.4  Favored  ?     10  16  0.66  24  0.47  molprobity  1  True  
 97   97  Cg_exo    -61.1    -1.2  Allowed  ?      7   8  0.73  11  0.44  molprobity  1  True  
 98   98  t-20          ?       ?  ?        ?      6   7  0.53   8  0.30  molprobity  1  True  
 99   99  ?             ?       ?  ?        ?      3   4  1.47   5  0.91  molprobity  1  True  
100  100  t80      -137.0   132.6  Favored  ?      9  12  0.85  16  0.40  molprobity  1  True  
101  101  m        -113.7   118.7  Favored  ?      4   6  0.94   8  0.41  molprobity  1  True  
102  102  t-80      -70.5   134.0  Favored  ?      7  11  0.67  15  0.36  molprobity  1  True  
103  103  mmt180    -81.6    88.0  Favored  ?     13  11  0.80  14  0.88  molprobity  1  True  
104  104  p        -145.4  -178.5  Favored  ?      5   6  1.33   8  0.49  molprobity  1  True  
105  105  t80      -127.7   111.1  Favored  Y      9  13  0.71  19  0.60  molprobity  1  True  
106  106  Cg_exo    -75.3   158.8  Favored  ?      7   8  0.89  12  0.55  molprobity  1  True  
107  107  Cg_endo   -72.8   113.5  Favored  ?      7   8  0.75  11  0.40  molprobity  1  True  
108  108  mm-40     -79.5   108.4  Favored  ?      6   9  1.00  12  0.84  molprobity  1  True  
109  109  m        -106.1   121.7  Favored  ?      4   6  1.16   8  0.38  molprobity  1  True  
110  110  p90      -107.6   157.7  Favored  ?     10  16  0.74  24  0.66  molprobity  1  True  
111  111  Cg_exo    -53.1   -13.4  Favored  ?      7   8  0.65  11  0.57  molprobity  1  True  
112  112  t-20          ?       ?  ?        ?      6   7  0.53   8  0.52  molprobity  1  True  
113  113  ?             ?       ?  ?        ?      3   4  1.47   5  0.69  molprobity  1  True  
114  114  t80      -168.1   113.1  Allowed  ?      9  12  0.69  16  0.37  molprobity  1  True  
115  115  m        -105.2   117.0  Favored  ?      4   6  0.78   8  0.49  molprobity  1  True  
116  116  t-80      -69.2   138.1  Favored  ?      7  11  0.51  15  0.34  molprobity  1  True  
117  117  tpp180    -75.7    84.3  Favored  ?     13  11  0.90  14  0.68  molprobity  1  True  
118  118  p        -146.2  -179.6  Favored  ?      5   6  1.14   8  0.46  molprobity  1  True  
119  119  t80      -144.2   111.0  Favored  Y      9  13  0.69  19  0.68  molprobity  1  True  
120  120  Cg_exo    -69.9   140.1  Favored  ?      7   8  0.66  12  0.53  molprobity  1  True  
121  121  Cg_endo   -76.2   142.2  Favored  ?      7   8  0.73  11  0.32  molprobity  1  True  
122  122  mt-10    -101.8   128.5  Favored  ?      6   9  1.15  12  0.56  molprobity  1  True  
123  123  m        -116.2   127.8  Favored  ?      4   6  0.94   8  0.28  molprobity  1  True  
124  124  m-90     -107.3   146.2  Favored  ?     10  16  0.48  24  0.45  molprobity  1  True  
125  125  Cg_exo    -51.3   -21.3  Favored  ?      7   8  0.75  11  0.49  molprobity  1  True  
126  126  t30           ?       ?  ?        ?      6   7  0.65   8  0.35  molprobity  1  True  
127  127  ?             ?       ?  ?        ?      3   4  0.69   5  0.21  molprobity  1  True  
128  128  t80      -107.2   139.8  Favored  ?      9  12  0.68  16  0.50  molprobity  1  True  
129  129  m        -129.4   159.2  Favored  ?      4   6  1.10   8  0.66  molprobity  1  True  
130  130  m170     -102.0   143.5  Favored  ?      7  11  0.44  15  0.38  molprobity  1  True  
131  131  mtt180   -101.4    24.2  Favored  ?     13  11  0.70  14  0.63  molprobity  1  True  
132  132  p         -89.5  -169.3  Favored  ?      5   6  0.91   8  1.12  molprobity  1  True  
133  133  t80      -131.5   126.5  Favored  Y      9  13  0.64  19  0.47  molprobity  1  True  
134  134  Cg_exo    -73.6   145.5  Favored  ?      7   8  0.74  12  0.51  molprobity  1  True  
135  135  Cg_endo   -72.8    95.0  Allowed  ?      7   8  0.75  11  0.40  molprobity  1  True  
136  136  pt-20     -91.5   147.0  Favored  ?      6   9  0.88  12  0.86  molprobity  1  True  
137  137  t        -135.8   151.9  Favored  ?      4   6  0.98   8  0.38  molprobity  1  True  
138  138  m-90     -115.5   157.0  Favored  ?     10  16  0.57  24  0.34  molprobity  1  True  
139  139  Cg_exo    -71.7    19.3  Allowed  ?      7   8  0.51  11  0.42  molprobity  1  True  
140  140  p-10          ?       ?  ?        ?      6   7  0.57   8  0.44  molprobity  1  True  
141  141  ?             ?       ?  ?        ?      3   4  0.96   5  0.36  molprobity  1  True  
142  142  t80      -141.9   132.1  Favored  ?      9  12  0.63  16  0.32  molprobity  1  True  
143  143  m        -120.5   122.9  Favored  ?      4   6  1.07   8  0.62  molprobity  1  True  
144  144  t-80      -84.9   121.1  Favored  ?      7  11  0.73  15  0.60  molprobity  1  True  
145  145  mmm180    -78.7    94.7  Favored  ?     13  11  1.01  14  0.76  molprobity  1  True  
146  146  p        -141.8  -169.0  Favored  ?      5   6  1.32   8  0.72  molprobity  1  True  
147  147  t80      -133.6   104.2  Favored  Y      9  13  0.69  19  0.52  molprobity  1  True  
148  148  Cg_endo   -75.3   154.4  Favored  ?      7   8  0.58  12  0.52  molprobity  1  True  
149  149  Cg_endo   -68.4   120.6  Favored  ?      7   8  0.59  11  0.30  molprobity  1  True  
150  150  mm-40     -78.1   108.2  Favored  ?      6   9  0.71  12  0.58  molprobity  1  True  
151  151  m        -112.4   121.9  Favored  ?      4   6  1.15   8  0.41  molprobity  1  True  
152  152  m-90     -103.8   148.6  Favored  ?     10  16  0.55  24  0.40  molprobity  1  True  
153  153  Cg_endo   -62.3    -0.2  Allowed  ?      7   8  0.71  11  0.49  molprobity  1  True  
154  154  t30           ?       ?  ?        ?      6   7  0.56   8  0.52  molprobity  1  True  
155  155  ?             ?       ?  ?        ?      3   4  1.01   5  0.22  molprobity  1  True  
156  156  p90      -157.4   160.9  Favored  ?      9  12  0.75  16  0.56  molprobity  1  True  
157  157  m        -133.7   154.9  Favored  ?      4   6  0.91   8  0.51  molprobity  1  True  
158  158  t60       -98.8   142.9  Favored  ?      7  11  0.62  15  0.49  molprobity  1  True  
159  159  ptm180    -84.5    33.0  Allowed  ?     13  11  0.62  14  0.59  molprobity  1  True  
160  160  p        -107.6   168.7  Favored  ?      5   6  0.88   8  0.62  molprobity  1  True  
161  161  t80      -106.5   135.2  Favored  Y      9  13  0.53  19  0.60  molprobity  1  True  
162  162  Cg_exo    -75.4   150.7  Favored  ?      7   8  0.49  12  0.58  molprobity  1  True  
163  163  Cg_endo   -59.6   106.1  Allowed  ?      7   8  0.62  11  0.48  molprobity  1  True  
164  164  mm-40     -87.4   122.2  Favored  ?      6   9  1.13  12  0.62  molprobity  1  True  
165  165  m        -118.0   141.9  Favored  ?      4   6  0.99   8  0.35  molprobity  1  True  
166  166  m-90     -117.2   139.6  Favored  ?     10  16  0.58  24  0.43  molprobity  1  True  
167  167  Cg_exo    -53.5   -19.2  Favored  ?      7   8  0.52  11  0.41  molprobity  1  True  
168  168  t-20          ?       ?  ?        ?      6   7  0.52   8  0.33  molprobity  1  True  
169  169  ?             ?       ?  ?        ?      3   4  1.35   5  0.55  molprobity  1  True  
170  170  t80      -150.9   131.5  Favored  ?      9  12  0.71  16  0.33  molprobity  1  True  
171  171  m        -119.8   122.4  Favored  ?      4   6  0.78   8  0.44  molprobity  1  True  
172  172  t-80      -80.3   125.1  Favored  ?      7  11  0.58  15  0.41  molprobity  1  True  
173  173  mtm180    -83.6    78.1  Favored  ?     13  11  0.95  14  0.85  molprobity  1  True  
174  174  p        -132.4  -176.7  Favored  ?      5   6  1.24   8  0.98  molprobity  1  True  
175  175  t80      -128.7   121.8  Favored  Y      9  13  0.58  19  0.64  molprobity  1  True  
176  176  Cg_exo    -76.7   142.3  Favored  ?      7   8  0.68  12  0.56  molprobity  1  True  
177  177  Cg_endo   -70.6   129.2  Favored  ?      7   8  0.70  11  0.35  molprobity  1  True  
178  178  mt-10    -108.1   140.7  Favored  ?      6   9  0.87  12  0.65  molprobity  1  True  
179  179  m        -120.6   133.2  Favored  ?      4   6  0.73   8  0.28  molprobity  1  True  
180  180  m-90     -113.1   149.5  Favored  ?     10  16  0.60  24  0.49  molprobity  1  True  
181  181  Cg_exo    -63.0    19.6  OUTLIER  ?      7   8  1.13  11  0.59  molprobity  1  True  
182  182  t30           ?       ?  ?        ?      6   7  0.53   8  0.69  molprobity  1  True  
183  183  ?             ?       ?  ?        ?      3   4  0.80   5  0.18  molprobity  1  True  
184  184  t80       -99.9   135.8  Favored  ?      9  12  0.60  16  0.37  molprobity  1  True  
185  185  m        -133.5   155.8  Favored  ?      4   6  0.85   8  0.39  molprobity  1  True  
186  186  m170     -102.6   154.0  Favored  ?      7  11  0.61  15  0.53  molprobity  1  True  
187  187  mmm180    -98.3    20.6  Favored  ?     13  11  0.76  14  0.49  molprobity  1  True  
188  188  p         -84.3  -167.8  Allowed  ?      5   6  0.95   8  0.94  molprobity  1  True  
189  189  t80      -128.0   121.8  Favored  Y      9  13  0.59  19  0.46  molprobity  1  True  
190  190  Cg_endo   -74.7   154.7  Favored  ?      7   8  0.45  12  0.47  molprobity  1  True  
191  191  Cg_endo   -69.2    89.9  Allowed  ?      7   8  0.58  11  0.49  molprobity  1  True  
192  192  mm-40     -71.3   132.4  Favored  ?      6   9  0.74  12  0.72  molprobity  1  True  
193  193  m        -121.2   139.9  Favored  ?      4   6  1.15   8  0.49  molprobity  1  True  
194  194  m-90     -103.1   152.1  Favored  ?     10  16  0.54  24  0.47  molprobity  1  True  
195  195  Cg_endo   -56.3   -14.6  Favored  ?      7   8  0.45  11  0.42  molprobity  1  True  
196  196  t30           ?       ?  ?        ?      6   7  0.45   8  0.30  molprobity  1  True  
197  197  ?             ?       ?  ?        ?      3   4  0.80   5  0.42  molprobity  1  True  
198  198  t80      -107.0   133.0  Favored  ?      9  12  0.71  16  0.48  molprobity  1  True  
199  199  m        -112.5   118.4  Favored  ?      4   6  1.02   8  0.55  molprobity  1  True  
200  200  t-160     -95.6   129.3  Favored  ?      7  11  0.73  15  0.38  molprobity  1  True  
201  201  ptm180    -78.1    72.1  Favored  ?     13  11  0.87  14  0.93  molprobity  1  True  
202  202  p         -97.4  -161.1  Allowed  ?      5   6  1.29   8  1.01  molprobity  1  True  
203  203  t80      -134.6   103.7  Favored  Y      9  13  0.69  19  0.70  molprobity  1  True  
204  204  Cg_exo    -79.2   150.2  Favored  ?      7   8  0.88  12  0.64  molprobity  1  True  
205  205  Cg_exo    -64.9   110.8  Allowed  ?      7   8  0.67  11  0.37  molprobity  1  True  
206  206  tt0      -109.8   153.4  Favored  ?      6   9  0.94  12  0.56  molprobity  1  True  
207  207  m        -111.4   138.7  Favored  ?      4   6  0.60   8  0.28  molprobity  1  True  
208  208  m-90     -116.7   166.9  Favored  ?     10  16  0.54  24  0.43  molprobity  1  True  
209  209  Cg_exo    -67.1     0.7  Favored  ?      7   8  0.38  11  0.68  molprobity  1  True  
210  210  m-80          ?       ?  ?        ?      6   7  0.46   8  0.71  molprobity  1  True  
211  211  ?             ?       ?  ?        ?      3   4  1.24   5  0.81  molprobity  1  True  
212  212  t80      -143.9   111.6  Favored  ?      9  12  0.72  16  0.40  molprobity  1  True  
213  213  m        -111.9   140.6  Favored  ?      4   6  1.10   8  0.70  molprobity  1  True  
214  214  t60      -110.1   140.9  Favored  ?      7  11  0.61  15  0.38  molprobity  1  True  
215  215  mmm180    -84.0    77.4  Favored  ?     13  11  0.86  14  0.72  molprobity  1  True  
216  216  p        -106.8  -166.8  Allowed  ?      5   6  0.97   8  0.88  molprobity  1  True  
217  217  t80      -145.6   103.8  Favored  Y      9  13  0.59  19  0.64  molprobity  1  True  
218  218  Cg_endo   -69.9   147.4  Favored  ?      7   8  0.55  12  0.49  molprobity  1  True  
219  219  Cg_endo   -65.8   110.9  Allowed  ?      7   8  0.53  11  0.34  molprobity  1  True  
220  220  mt-10     -85.8   139.3  Favored  ?      6   9  0.84  12  0.55  molprobity  1  True  
221  221  t        -138.3   147.8  Favored  ?      4   6  1.02   8  0.38  molprobity  1  True  
222  222  m-90     -115.5   148.2  Favored  ?     10  16  0.57  24  0.44  molprobity  1  True  
223  223  Cg_endo   -68.3     9.6  Allowed  ?      7   8  0.68  11  0.48  molprobity  1  True  
224  224  t-20          ?       ?  ?        ?      6   7  0.59   8  0.60  molprobity  1  True  
225  225  ?             ?       ?  ?        ?      3   4  0.83   5  0.42  molprobity  1  True  
226  226  t80      -148.9   126.3  Favored  ?      9  12  0.53  16  0.32  molprobity  1  True  
227  227  m        -125.1   142.3  Favored  ?      4   6  0.76   8  0.38  molprobity  1  True  
228  228  t-160    -116.1   122.9  Favored  ?      7  11  0.73  15  0.68  molprobity  1  True  
229  229  ptt180    -83.2    88.4  Favored  ?     13  11  0.84  14  0.99  molprobity  1  True  
230  230  p        -125.3  -163.5  Allowed  ?      5   6  1.22   8  0.81  molprobity  1  True  
231  231  t80      -123.0   110.4  Favored  Y      9  13  0.59  19  0.56  molprobity  1  True  
232  232  Cg_endo   -79.9   160.3  Favored  ?      7   8  0.49  12  0.47  molprobity  1  True  
233  233  Cg_exo    -63.9   115.0  Favored  ?      7   8  0.49  11  0.44  molprobity  1  True  
234  234  mt-10    -107.1   143.0  Favored  ?      6   9  0.73  12  0.62  molprobity  1  True  
235  235  m        -121.7   148.4  Favored  ?      4   6  0.93   8  0.49  molprobity  1  True  
236  236  m-90     -117.3   143.4  Favored  ?     10  16  0.52  24  0.53  molprobity  1  True  
237  237  Cg_endo   -70.9    38.8  Allowed  ?      7   8  0.94  11  0.51  molprobity  1  True  
238  238  OUTLIER       ?       ?  ?        ?      6   7  0.63   8  0.67  molprobity  1  True  
239  239  ?             ?       ?  ?        ?      3   4  1.17   5  0.64  molprobity  1  True  
240  240  t80      -156.9   132.1  Favored  ?      9  12  0.60  16  0.31  molprobity  1  True  
241  241  m        -131.4   115.1  Favored  ?      4   6  0.81   8  0.42  molprobity  1  True  
242  242  t60       -90.9   123.3  Favored  ?      7  11  0.63  15  0.45  molprobity  1  True  
243  243  OUTLIER   -85.9    78.7  Favored  ?     13  11  0.85  14  1.14  molprobity  1  True  
244  244  p        -102.4  -160.0  Allowed  ?      5   6  1.25   8  1.12  molprobity  1  True  
245  245  t80      -127.7   107.3  Favored  Y      9  13  0.58  19  0.55  molprobity  1  True  
246  246  Cg_endo   -79.3   157.9  Favored  ?      7   8  0.65  12  0.45  molprobity  1  True  
247  247  Cg_exo    -64.1   120.5  Favored  ?      7   8  0.67  11  0.45  molprobity  1  True  
248  248  mt-10    -103.2   140.4  Favored  ?      6   9  0.80  12  0.51  molprobity  1  True  
249  249  m        -121.1   139.6  Favored  ?      4   6  0.85   8  0.41  molprobity  1  True  
250  250  m-90     -106.8   145.4  Favored  ?     10  16  0.46  24  0.44  molprobity  1  True  
251  251  Cg_endo   -71.2    70.2  Favored  ?      7   8  0.60  11  0.71  molprobity  1  True  
252  252  t-20          ?       ?  ?        ?      6   7  0.66   8  0.59  molprobity  1  True  
253  253  ?             ?       ?  ?        ?      3   4  1.15   5  0.26  molprobity  1  True  
254  254  t80      -137.2   130.0  Favored  ?      9  12  0.61  16  0.32  molprobity  1  True  
255  255  m        -125.1   129.2  Favored  ?      4   6  0.74   8  0.37  molprobity  1  True  
256  256  t60      -109.5   126.8  Favored  ?      7  11  0.65  15  0.39  molprobity  1  True  
257  257  ptt180    -80.8    78.0  Favored  ?     13  11  0.72  14  0.94  molprobity  1  True  
258  258  p        -116.4  -164.2  Allowed  ?      5   6  1.05   8  0.81  molprobity  1  True  
259  259  t80      -119.5   109.7  Favored  Y      9  13  0.62  19  0.69  molprobity  1  True  
260  260  Cg_endo   -80.8   158.6  Favored  ?      7   8  0.41  12  0.48  molprobity  1  True  
261  261  Cg_endo   -75.1    97.2  Allowed  ?      7   8  0.67  11  0.51  molprobity  1  True  
262  262  pt-20     -96.0   153.4  Favored  ?      6   9  0.74  12  0.77  molprobity  1  True  
263  263  m        -122.8   138.7  Favored  ?      4   6  0.79   8  0.42  molprobity  1  True  
264  264  m-90     -104.2   152.1  Favored  ?     10  16  0.61  24  0.45  molprobity  1  True  
265  265  Cg_exo    -56.1   -19.0  Favored  ?      7   8  0.55  11  0.47  molprobity  1  True  
266  266  m-80          ?       ?  ?        ?      6   7  0.43   8  0.53  molprobity  1  True  
267  267  ?             ?       ?  ?        ?      3   4  0.72   5  0.77  molprobity  1  True  
268  268  t80      -149.7   133.8  Favored  ?      9  12  0.77  16  0.36  molprobity  1  True  
269  269  m        -124.6   163.8  Favored  ?      4   6  0.88   8  0.45  molprobity  1  True  
270  270  t-80     -100.3   133.1  Favored  ?      7  11  0.45  15  0.53  molprobity  1  True  
271  271  mtm180    -78.4    91.0  Favored  ?     13  11  0.88  14  0.87  molprobity  1  True  
272  272  p        -145.3  -170.0  Favored  ?      5   6  0.91   8  0.80  molprobity  1  True  
273  273  t80      -140.0   111.0  Favored  Y      9  13  0.58  19  0.62  molprobity  1  True  
274  274  Cg_exo    -75.5   148.2  Favored  ?      7   8  0.56  12  0.57  molprobity  1  True  
275  275  Cg_exo    -58.0   130.3  Favored  ?      7   8  0.46  11  0.39  molprobity  1  True  
276  276  mm-40     -80.2   108.9  Favored  ?      6   9  0.86  12  0.59  molprobity  1  True  
277  277  m         -99.9   122.0  Favored  ?      4   6  0.98   8  0.56  molprobity  1  True  
278  278  m-90      -97.9   150.1  Favored  ?     10  16  0.54  24  0.48  molprobity  1  True  
279  279  Cg_endo   -70.3    22.1  Allowed  ?      7   8  0.84  11  0.48  molprobity  1  True  
280  280  m-20          ?       ?  ?        ?      6   7  0.67   8  0.62  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  270  HB2  1  0.41  2.51  
2  278  CH2  1  0.41  2.51  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  2        ?     
 2  3        ?     
 3  1        ?     
 4  2        True  
 5  2        ?     
 6  1        True  
 7  3        True  
 8  2        ?     
 9  2        ?     
10  1        ?     
11  2        ?     
12  1        ?     
13  1        ?     
14  1        ?     
15  outlier  ?     
16  2        ?     
17  1        ?     
18  1        ?     
19  1        ?     
20  2        ?     
#
_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                0.410
_pdbx_vrpt_cyrange_domain.medoid_model        6
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.483
_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           138
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           138
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            138
_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  0.024  
 2  A  PHE   2  0.022  
 3  A  CYS   3  0.017  
 4  A  HIS   4  0.021  
 5  A  ARG   5  0.025  
 6  A  SER   6  0.027  
 7  A  TYR   7  0.025  
 8  A  PRO   8  0.023  
 9  A  PRO   9  0.021  
10  A  GLU  10  0.019  
11  A  CYS  11  0.018  
12  A  TRP  12  0.022  
13  A  PRO  13  0.027  
14  A  ASN  14  0.030  
#
_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    5
_pdbx_vrpt_chemical_shift_outlier.label_atom_id  NE
_pdbx_vrpt_chemical_shift_outlier.value          124.717
_pdbx_vrpt_chemical_shift_outlier.zscore         24.890
_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  13  
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  137  46  183  overall    Total  
 2   50  15   65  backbone   Total  
 3   71   9   80  sidechain  Total  
 4   16  22   38  aromatic   Total  
 5   87   9   96  overall    H      
 6   25   1   26  backbone   H      
 7   47   4   51  sidechain  H      
 8   15   4   19  aromatic   H      
 9   36  34   70  overall    C      
10   14  14   28  backbone   C      
11   22   3   25  sidechain  C      
12    0  17   17  aromatic   C      
13   14   3   17  overall    N      
14   11   0   11  backbone   N      
15    2   2    4  sidechain  N      
16    1   1    2  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  137  46  183  overall    Total  
 2   50  15   65  backbone   Total  
 3   71   9   80  sidechain  Total  
 4   16  22   38  aromatic   Total  
 5   87   9   96  overall    H      
 6   25   1   26  backbone   H      
 7   47   4   51  sidechain  H      
 8   15   4   19  aromatic   H      
 9   36  34   70  overall    C      
10   14  14   28  backbone   C      
11   22   3   25  sidechain  C      
12    0  17   17  aromatic   C      
13   14   3   17  overall    N      
14   11   0   11  backbone   N      
15    2   2    4  sidechain  N      
16    1   1    2  aromatic   N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     69  
 2  "Intra-residue (|i-j|=0)"                       24  
 3  "Sequential (|i-j|=1)"                          31  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             9  
 5  "Long range (|i-j|>=5)"                          5  
 6  Inter-chain                                      0  
 7  "Total hydrogen bond restraints"                 0  
 8  "Total disulfide bond restraints"                0  
 9  "Total dihedral-angle restraints"               19  
10  "Number of unmapped restraints"                  1  
11  "Number of restraints per residue"             6.3  
12  "Number of long range restraints per residue"  0.4  
#
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                 24   34.8  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   22   31.9  0  0.0  0.0  0  0.0  0.0  
 4  Intra-residue  SidechainSidechain   2    2.9  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                 31   44.9  0  0.0  0.0  0  0.0  0.0  
 6  Sequential     BackboneBackbone    10   14.5  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain   17   24.6  0  0.0  0.0  0  0.0  0.0  
 8  Sequential     SidechainSidechain   4    5.8  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  9   13.0  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone     1    1.4  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    5    7.2  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain   3    4.3  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  5    7.2  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone     1    1.4  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain    2    2.9  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain   2    2.9  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                 69  100.0  0  0.0  0.0  0  0.0  0.0  
24  Total          BackboneBackbone    12   17.4  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain   46   66.7  0  0.0  0.0  0  0.0  0.0  
26  Total          SidechainSidechain  11   15.9  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     7   36.8  0  0.0  0.0  2  10.5  28.6  
2  PSI     9   47.4  0  0.0  0.0  0   0.0   0.0  
3  CHI1    3   15.8  0  0.0  0.0  0   0.0   0.0  
4  Total  19  100.0  0  0.0  0.0  2  10.5  10.5  
#
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  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  1.10  1.10  1.10  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  1.90  1.90  1.90  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_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    0  
 2   1  PSI    0  
 3   1  CHI1   0  
 4   1  Total  0  
 5   2  PHI    0  
 6   2  PSI    0  
 7   2  CHI1   0  
 8   2  Total  0  
 9   3  PHI    0  
10   3  PSI    0  
11   3  CHI1   0  
12   3  Total  0  
13   4  PHI    0  
14   4  PSI    0  
15   4  CHI1   0  
16   4  Total  0  
17   5  PHI    0  
18   5  PSI    0  
19   5  CHI1   0  
20   5  Total  0  
21   6  PHI    0  
22   6  PSI    0  
23   6  CHI1   0  
24   6  Total  0  
25   7  PHI    0  
26   7  PSI    0  
27   7  CHI1   0  
28   7  Total  0  
29   8  PHI    0  
30   8  PSI    0  
31   8  CHI1   0  
32   8  Total  0  
33   9  PHI    1  
34   9  PSI    0  
35   9  CHI1   0  
36   9  Total  1  
37  10  PHI    0  
38  10  PSI    0  
39  10  CHI1   0  
40  10  Total  0  
41  11  PHI    0  
42  11  PSI    0  
43  11  CHI1   0  
44  11  Total  0  
45  12  PHI    0  
46  12  PSI    0  
47  12  CHI1   0  
48  12  Total  0  
49  13  PHI    0  
50  13  PSI    0  
51  13  CHI1   0  
52  13  Total  0  
53  14  PHI    0  
54  14  PSI    0  
55  14  CHI1   0  
56  14  Total  0  
57  15  PHI    1  
58  15  PSI    0  
59  15  CHI1   0  
60  15  Total  1  
61  16  PHI    0  
62  16  PSI    0  
63  16  CHI1   0  
64  16  Total  0  
65  17  PHI    0  
66  17  PSI    0  
67  17  CHI1   0  
68  17  Total  0  
69  18  PHI    0  
70  18  PSI    0  
71  18  CHI1   0  
72  18  Total  0  
73  19  PHI    0  
74  19  PSI    0  
75  19  CHI1   0  
76  19  Total  0  
77  20  PHI    0  
78  20  PSI    0  
79  20  CHI1   0  
80  20  Total  0  
#
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    2  
 2   1  PSI    0  
 3   1  CHI1   0  
 4   1  Total  2  
 5   2  PHI    0  
 6   2  PSI    0  
 7   2  CHI1   0  
 8   2  Total  0  
 9   3  PHI    0  
10   3  PSI    0  
11   3  CHI1   0  
12   3  Total  0  
13   4  PHI    0  
14   4  PSI    0  
15   4  CHI1   0  
16   4  Total  0  
17   5  PHI    0  
18   5  PSI    0  
19   5  CHI1   0  
20   5  Total  0  
21   6  PHI    0  
22   6  PSI    0  
23   6  CHI1   0  
24   6  Total  0  
25   7  PHI    0  
26   7  PSI    0  
27   7  CHI1   0  
28   7  Total  0  
29   8  PHI    0  
30   8  PSI    0  
31   8  CHI1   0  
32   8  Total  0  
33   9  PHI    0  
34   9  PSI    0  
35   9  CHI1   0  
36   9  Total  0  
37  10  PHI    0  
38  10  PSI    0  
39  10  CHI1   0  
40  10  Total  0  
41  11  PHI    0  
42  11  PSI    0  
43  11  CHI1   0  
44  11  Total  0  
45  12  PHI    0  
46  12  PSI    0  
47  12  CHI1   0  
48  12  Total  0  
49  13  PHI    0  
50  13  PSI    0  
51  13  CHI1   0  
52  13  Total  0  
53  14  PHI    0  
54  14  PSI    0  
55  14  CHI1   0  
56  14  Total  0  
57  15  PHI    0  
58  15  PSI    0  
59  15  CHI1   0  
60  15  Total  0  
61  16  PHI    0  
62  16  PSI    0  
63  16  CHI1   0  
64  16  Total  0  
65  17  PHI    0  
66  17  PSI    0  
67  17  CHI1   0  
68  17  Total  0  
69  18  PHI    0  
70  18  PSI    0  
71  18  CHI1   0  
72  18  Total  0  
73  19  PHI    0  
74  19  PSI    0  
75  19  CHI1   0  
76  19  Total  0  
77  20  PHI    0  
78  20  PSI    0  
79  20  CHI1   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   1.9   0.1   
2  10.0-20.0  None  None  
3  >20.0      None  None  
#
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  11  1  205  206  206  206  C  N  CA  C  1.90  
2   5  1  117  118  118  118  C  N  CA  C  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  
##
