data_2LXG

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2LXG   
BMRB  20048  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    2LXG
_pdbx_vrpt_summary.PDB_deposition_date         2012-08-21
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-06-14
_pdbx_vrpt_summary.report_creation_date        2023-06-05:05:11
_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  "Mu-conotoxin KIIIA"
#
_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   5.71  158937  ?     ?     
2  2  1  22.72   12864  ?     ?     
3  1  2   6.33  154571  ?     ?     
4  2  2  36.99   11451  ?     ?     
5  1  3   1.46  154315  ?     ?     
6  2  3  17.19   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    0.40  
 4  6  3  A   1  1  A    0.40  
 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    0.05  
 8  6  3  A   2  1  A    0.05  
 9  3  2  A   3  1  A    1.02  
10  4  2  A   3  1  A    1.02  
11  5  3  A   3  1  A    4.30  
12  6  3  A   3  1  A    4.30  
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    0.40  
16  6  3  A   4  1  A    0.40  
17  3  2  A   5  1  A    1.02  
18  4  2  A   5  1  A    1.02  
19  5  3  A   5  1  A    0.05  
20  6  3  A   5  1  A    0.05  
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    0.40  
24  6  3  A   6  1  A    0.40  
25  3  2  A   7  1  A    1.02  
26  4  2  A   7  1  A    1.02  
27  5  3  A   7  1  A    4.30  
28  6  3  A   7  1  A    4.30  
29  3  2  A   8  1  A    0.18  
30  4  2  A   8  1  A    0.18  
31  5  3  A   8  1  A    0.40  
32  6  3  A   8  1  A    0.40  
33  3  2  A   9  1  A    0.18  
34  4  2  A   9  1  A    0.18  
35  5  3  A   9  1  A    0.15  
36  6  3  A   9  1  A    0.15  
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    0.40  
40  6  3  A  10  1  A    0.40  
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    0.15  
44  6  3  A  11  1  A    0.15  
45  3  2  A  12  1  A    1.02  
46  4  2  A  12  1  A    1.02  
47  5  3  A  12  1  A    1.29  
48  6  3  A  12  1  A    1.29  
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    0.01  
52  6  3  A  13  1  A    0.01  
53  3  2  A  14  1  A    1.02  
54  4  2  A  14  1  A    1.02  
55  5  3  A  14  1  A    0.05  
56  6  3  A  14  1  A    0.05  
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    0.15  
60  6  3  A  15  1  A    0.15  
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    1.29  
64  6  3  A  16  1  A    1.29  
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    0.15  
68  6  3  A  17  1  A    0.15  
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    0.40  
72  6  3  A  18  1  A    0.40  
73  3  2  A  19  1  A    1.02  
74  4  2  A  19  1  A    1.02  
75  5  3  A  19  1  A    0.15  
76  6  3  A  19  1  A    0.15  
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    0.05  
80  6  3  A  20  1  A    0.05  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
 1   1  1  A  A  1.46  0.97  127  168  
 2   2  1  A  A  1.45  0.97  127  168  
 3   3  1  A  A  1.46  0.95  127  168  
 4   4  1  A  A  1.46  0.96  127  168  
 5   5  1  A  A  1.46  0.97  127  168  
 6   6  1  A  A  1.44  0.97  127  168  
 7   7  1  A  A  1.44  0.96  127  168  
 8   8  1  A  A  1.45  0.96  127  168  
 9   9  1  A  A  1.45  0.96  127  168  
10  10  1  A  A  1.46  0.97  127  168  
11  11  1  A  A  1.45  0.96  127  168  
12  12  1  A  A  1.46  0.96  127  168  
13  13  1  A  A  1.45  0.97  127  168  
14  14  1  A  A  1.45  0.97  127  168  
15  15  1  A  A  1.45  0.97  127  168  
16  16  1  A  A  1.48  0.97  127  168  
17  17  1  A  A  1.46  0.97  127  168  
18  18  1  A  A  1.46  0.97  127  168  
19  19  1  A  A  1.45  0.97  127  168  
20  20  1  A  A  1.45  0.97  127  168  
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers              3.33
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  3.33
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers                   29.33
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       28.44
_pdbx_vrpt_summary_geometry.clashscore                                 30.00
_pdbx_vrpt_summary_geometry.clashscore_full_length                     29.18
_pdbx_vrpt_summary_geometry.num_H_reduce                               2140
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             2540
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.97
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            3360
_pdbx_vrpt_summary_geometry.angles_RMSZ                                1.45
#
_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            1
_pdbx_vrpt_summary_nmr.medoid_model                             4
_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              4
_pdbx_vrpt_summary_nmr.cyrange_number_of_domains                1
_pdbx_vrpt_summary_nmr.chemical_shift_completeness              62.50
_pdbx_vrpt_summary_nmr.chemical_shift_completeness_full_length  61.46
#
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  CYS  A   1  .  ?        ?  
  2   1  1  A   2  CYS  A   2  .  ?        1  
  3   1  1  A   3  ASN  A   3  .  ?        4  
  4   1  1  A   4  CYS  A   4  .  ?        ?  
  5   1  1  A   5  SER  A   5  .  ?        ?  
  6   1  1  A   6  SER  A   6  .  ?        ?  
  7   1  1  A   7  LYS  A   7  .  ?        ?  
  8   1  1  A   8  TRP  A   8  .  ?        ?  
  9   1  1  A   9  CYS  A   9  .  ?        3  
 10   1  1  A  10  ARG  A  10  .  ?        ?  
 11   1  1  A  11  ASP  A  11  .  ?        ?  
 12   1  1  A  12  HIS  A  12  .  ?        ?  
 13   1  1  A  13  SER  A  13  .  ?        2  
 14   1  1  A  14  ARG  A  14  .  ?        ?  
 15   1  1  A  15  CYS  A  15  .  ?        ?  
 16   1  1  A  16  CYS  A  16  .  ?        ?  
 17   1  1  A  17  NH2  A  17  .  ?        ?  
 18   2  1  A   1  CYS  A   1  .  ?        ?  
 19   2  1  A   2  CYS  A   2  .  ?        ?  
 20   2  1  A   3  ASN  A   3  .  ?        1  
 21   2  1  A   4  CYS  A   4  .  ?        ?  
 22   2  1  A   5  SER  A   5  .  ?        ?  
 23   2  1  A   6  SER  A   6  .  ?        1  
 24   2  1  A   7  LYS  A   7  .  ?        1  
 25   2  1  A   8  TRP  A   8  .  ?        3  
 26   2  1  A   9  CYS  A   9  .  ?        1  
 27   2  1  A  10  ARG  A  10  .  ?        ?  
 28   2  1  A  11  ASP  A  11  .  ?        ?  
 29   2  1  A  12  HIS  A  12  .  ?        3  
 30   2  1  A  13  SER  A  13  .  ?        ?  
 31   2  1  A  14  ARG  A  14  .  ?        ?  
 32   2  1  A  15  CYS  A  15  .  ?        ?  
 33   2  1  A  16  CYS  A  16  .  ?        ?  
 34   2  1  A  17  NH2  A  17  .  ?        ?  
 35   3  1  A   1  CYS  A   1  .  ?        1  
 36   3  1  A   2  CYS  A   2  .  ?        1  
 37   3  1  A   3  ASN  A   3  .  ?        2  
 38   3  1  A   4  CYS  A   4  .  ?        1  
 39   3  1  A   5  SER  A   5  .  ?        ?  
 40   3  1  A   6  SER  A   6  .  ?        1  
 41   3  1  A   7  LYS  A   7  .  ?        1  
 42   3  1  A   8  TRP  A   8  .  ?        3  
 43   3  1  A   9  CYS  A   9  .  ?        ?  
 44   3  1  A  10  ARG  A  10  .  ?        3  
 45   3  1  A  11  ASP  A  11  .  ?        ?  
 46   3  1  A  12  HIS  A  12  .  ?        3  
 47   3  1  A  13  SER  A  13  .  ?        ?  
 48   3  1  A  14  ARG  A  14  .  ?        ?  
 49   3  1  A  15  CYS  A  15  .  ?        ?  
 50   3  1  A  16  CYS  A  16  .  ?        ?  
 51   3  1  A  17  NH2  A  17  .  ?        ?  
 52   4  1  A   1  CYS  A   1  .  ?        ?  
 53   4  1  A   2  CYS  A   2  .  ?        ?  
 54   4  1  A   3  ASN  A   3  .  ?        2  
 55   4  1  A   4  CYS  A   4  .  ?        ?  
 56   4  1  A   5  SER  A   5  .  ?        ?  
 57   4  1  A   6  SER  A   6  .  ?        1  
 58   4  1  A   7  LYS  A   7  .  ?        1  
 59   4  1  A   8  TRP  A   8  .  ?        2  
 60   4  1  A   9  CYS  A   9  .  ?        2  
 61   4  1  A  10  ARG  A  10  .  ?        ?  
 62   4  1  A  11  ASP  A  11  .  ?        ?  
 63   4  1  A  12  HIS  A  12  .  ?        2  
 64   4  1  A  13  SER  A  13  .  ?        ?  
 65   4  1  A  14  ARG  A  14  .  ?        ?  
 66   4  1  A  15  CYS  A  15  .  ?        ?  
 67   4  1  A  16  CYS  A  16  .  ?        ?  
 68   4  1  A  17  NH2  A  17  .  ?        ?  
 69   5  1  A   1  CYS  A   1  .  ?        ?  
 70   5  1  A   2  CYS  A   2  .  ?        ?  
 71   5  1  A   3  ASN  A   3  .  ?        ?  
 72   5  1  A   4  CYS  A   4  .  ?        2  
 73   5  1  A   5  SER  A   5  .  ?        ?  
 74   5  1  A   6  SER  A   6  .  ?        ?  
 75   5  1  A   7  LYS  A   7  .  ?        ?  
 76   5  1  A   8  TRP  A   8  .  ?        4  
 77   5  1  A   9  CYS  A   9  .  ?        2  
 78   5  1  A  10  ARG  A  10  .  ?        2  
 79   5  1  A  11  ASP  A  11  .  ?        ?  
 80   5  1  A  12  HIS  A  12  .  ?        3  
 81   5  1  A  13  SER  A  13  .  ?        1  
 82   5  1  A  14  ARG  A  14  .  ?        ?  
 83   5  1  A  15  CYS  A  15  .  ?        ?  
 84   5  1  A  16  CYS  A  16  .  ?        ?  
 85   5  1  A  17  NH2  A  17  .  ?        ?  
 86   6  1  A   1  CYS  A   1  .  ?        ?  
 87   6  1  A   2  CYS  A   2  .  ?        1  
 88   6  1  A   3  ASN  A   3  .  ?        ?  
 89   6  1  A   4  CYS  A   4  .  ?        2  
 90   6  1  A   5  SER  A   5  .  ?        1  
 91   6  1  A   6  SER  A   6  .  ?        1  
 92   6  1  A   7  LYS  A   7  .  ?        2  
 93   6  1  A   8  TRP  A   8  .  ?        4  
 94   6  1  A   9  CYS  A   9  .  ?        2  
 95   6  1  A  10  ARG  A  10  .  ?        4  
 96   6  1  A  11  ASP  A  11  .  ?        ?  
 97   6  1  A  12  HIS  A  12  .  ?        3  
 98   6  1  A  13  SER  A  13  .  ?        ?  
 99   6  1  A  14  ARG  A  14  .  ?        ?  
100   6  1  A  15  CYS  A  15  .  ?        ?  
101   6  1  A  16  CYS  A  16  .  ?        ?  
102   6  1  A  17  NH2  A  17  .  ?        ?  
103   7  1  A   1  CYS  A   1  .  ?        ?  
104   7  1  A   2  CYS  A   2  .  ?        ?  
105   7  1  A   3  ASN  A   3  .  ?        2  
106   7  1  A   4  CYS  A   4  .  ?        ?  
107   7  1  A   5  SER  A   5  .  ?        ?  
108   7  1  A   6  SER  A   6  .  ?        ?  
109   7  1  A   7  LYS  A   7  .  ?        ?  
110   7  1  A   8  TRP  A   8  .  ?        7  
111   7  1  A   9  CYS  A   9  .  ?        2  
112   7  1  A  10  ARG  A  10  .  ?        2  
113   7  1  A  11  ASP  A  11  .  ?        ?  
114   7  1  A  12  HIS  A  12  .  ?        7  
115   7  1  A  13  SER  A  13  .  ?        ?  
116   7  1  A  14  ARG  A  14  .  ?        ?  
117   7  1  A  15  CYS  A  15  .  ?        ?  
118   7  1  A  16  CYS  A  16  .  ?        2  
119   7  1  A  17  NH2  A  17  .  ?        ?  
120   8  1  A   1  CYS  A   1  .  ?        ?  
121   8  1  A   2  CYS  A   2  .  ?        ?  
122   8  1  A   3  ASN  A   3  .  ?        ?  
123   8  1  A   4  CYS  A   4  .  ?        ?  
124   8  1  A   5  SER  A   5  .  ?        ?  
125   8  1  A   6  SER  A   6  .  ?        ?  
126   8  1  A   7  LYS  A   7  .  ?        ?  
127   8  1  A   8  TRP  A   8  .  ?        1  
128   8  1  A   9  CYS  A   9  .  ?        1  
129   8  1  A  10  ARG  A  10  .  ?        ?  
130   8  1  A  11  ASP  A  11  .  ?        ?  
131   8  1  A  12  HIS  A  12  .  ?        ?  
132   8  1  A  13  SER  A  13  .  ?        ?  
133   8  1  A  14  ARG  A  14  .  ?        ?  
134   8  1  A  15  CYS  A  15  .  ?        ?  
135   8  1  A  16  CYS  A  16  .  ?        ?  
136   8  1  A  17  NH2  A  17  .  ?        ?  
137   9  1  A   1  CYS  A   1  .  ?        1  
138   9  1  A   2  CYS  A   2  .  ?        1  
139   9  1  A   3  ASN  A   3  .  ?        5  
140   9  1  A   4  CYS  A   4  .  ?        ?  
141   9  1  A   5  SER  A   5  .  ?        ?  
142   9  1  A   6  SER  A   6  .  ?        ?  
143   9  1  A   7  LYS  A   7  .  ?        ?  
144   9  1  A   8  TRP  A   8  .  ?        6  
145   9  1  A   9  CYS  A   9  .  ?        3  
146   9  1  A  10  ARG  A  10  .  ?        ?  
147   9  1  A  11  ASP  A  11  .  ?        1  
148   9  1  A  12  HIS  A  12  .  ?        3  
149   9  1  A  13  SER  A  13  .  ?        ?  
150   9  1  A  14  ARG  A  14  .  ?        ?  
151   9  1  A  15  CYS  A  15  .  ?        ?  
152   9  1  A  16  CYS  A  16  .  ?        ?  
153   9  1  A  17  NH2  A  17  .  ?        ?  
154  10  1  A   1  CYS  A   1  .  ?        ?  
155  10  1  A   2  CYS  A   2  .  ?        ?  
156  10  1  A   3  ASN  A   3  .  ?        4  
157  10  1  A   4  CYS  A   4  .  ?        ?  
158  10  1  A   5  SER  A   5  .  ?        ?  
159  10  1  A   6  SER  A   6  .  ?        ?  
160  10  1  A   7  LYS  A   7  .  ?        ?  
161  10  1  A   8  TRP  A   8  .  ?        5  
162  10  1  A   9  CYS  A   9  .  ?        5  
163  10  1  A  10  ARG  A  10  .  ?        2  
164  10  1  A  11  ASP  A  11  .  ?        ?  
165  10  1  A  12  HIS  A  12  .  ?        3  
166  10  1  A  13  SER  A  13  .  ?        1  
167  10  1  A  14  ARG  A  14  .  ?        ?  
168  10  1  A  15  CYS  A  15  .  ?        ?  
169  10  1  A  16  CYS  A  16  .  ?        2  
170  10  1  A  17  NH2  A  17  .  ?        ?  
171  11  1  A   1  CYS  A   1  .  ?        ?  
172  11  1  A   2  CYS  A   2  .  ?        1  
173  11  1  A   3  ASN  A   3  .  ?        1  
174  11  1  A   4  CYS  A   4  .  ?        ?  
175  11  1  A   5  SER  A   5  .  ?        ?  
176  11  1  A   6  SER  A   6  .  ?        1  
177  11  1  A   7  LYS  A   7  .  ?        1  
178  11  1  A   8  TRP  A   8  .  ?        1  
179  11  1  A   9  CYS  A   9  .  ?        2  
180  11  1  A  10  ARG  A  10  .  ?        ?  
181  11  1  A  11  ASP  A  11  .  ?        ?  
182  11  1  A  12  HIS  A  12  .  ?        1  
183  11  1  A  13  SER  A  13  .  ?        ?  
184  11  1  A  14  ARG  A  14  .  ?        ?  
185  11  1  A  15  CYS  A  15  .  ?        ?  
186  11  1  A  16  CYS  A  16  .  ?        ?  
187  11  1  A  17  NH2  A  17  .  ?        ?  
188  12  1  A   1  CYS  A   1  .  ?        1  
189  12  1  A   2  CYS  A   2  .  ?        1  
190  12  1  A   3  ASN  A   3  .  ?        1  
191  12  1  A   4  CYS  A   4  .  ?        ?  
192  12  1  A   5  SER  A   5  .  ?        ?  
193  12  1  A   6  SER  A   6  .  ?        ?  
194  12  1  A   7  LYS  A   7  .  ?        ?  
195  12  1  A   8  TRP  A   8  .  ?        4  
196  12  1  A   9  CYS  A   9  .  ?        1  
197  12  1  A  10  ARG  A  10  .  ?        1  
198  12  1  A  11  ASP  A  11  .  ?        ?  
199  12  1  A  12  HIS  A  12  .  ?        4  
200  12  1  A  13  SER  A  13  .  ?        ?  
201  12  1  A  14  ARG  A  14  .  ?        ?  
202  12  1  A  15  CYS  A  15  .  ?        ?  
203  12  1  A  16  CYS  A  16  .  ?        1  
204  12  1  A  17  NH2  A  17  .  ?        ?  
205  13  1  A   1  CYS  A   1  .  ?        ?  
206  13  1  A   2  CYS  A   2  .  ?        ?  
207  13  1  A   3  ASN  A   3  .  ?        ?  
208  13  1  A   4  CYS  A   4  .  ?        ?  
209  13  1  A   5  SER  A   5  .  ?        ?  
210  13  1  A   6  SER  A   6  .  ?        ?  
211  13  1  A   7  LYS  A   7  .  ?        ?  
212  13  1  A   8  TRP  A   8  .  ?        1  
213  13  1  A   9  CYS  A   9  .  ?        1  
214  13  1  A  10  ARG  A  10  .  ?        ?  
215  13  1  A  11  ASP  A  11  .  ?        ?  
216  13  1  A  12  HIS  A  12  .  ?        1  
217  13  1  A  13  SER  A  13  .  ?        1  
218  13  1  A  14  ARG  A  14  .  ?        ?  
219  13  1  A  15  CYS  A  15  .  ?        ?  
220  13  1  A  16  CYS  A  16  .  ?        ?  
221  13  1  A  17  NH2  A  17  .  ?        ?  
222  14  1  A   1  CYS  A   1  .  ?        ?  
223  14  1  A   2  CYS  A   2  .  ?        ?  
224  14  1  A   3  ASN  A   3  .  ?        2  
225  14  1  A   4  CYS  A   4  .  ?        ?  
226  14  1  A   5  SER  A   5  .  ?        ?  
227  14  1  A   6  SER  A   6  .  ?        ?  
228  14  1  A   7  LYS  A   7  .  ?        ?  
229  14  1  A   8  TRP  A   8  .  ?        4  
230  14  1  A   9  CYS  A   9  .  ?        2  
231  14  1  A  10  ARG  A  10  .  ?        ?  
232  14  1  A  11  ASP  A  11  .  ?        ?  
233  14  1  A  12  HIS  A  12  .  ?        3  
234  14  1  A  13  SER  A  13  .  ?        1  
235  14  1  A  14  ARG  A  14  .  ?        1  
236  14  1  A  15  CYS  A  15  .  ?        1  
237  14  1  A  16  CYS  A  16  .  ?        ?  
238  14  1  A  17  NH2  A  17  .  ?        ?  
239  15  1  A   1  CYS  A   1  .  ?        ?  
240  15  1  A   2  CYS  A   2  .  ?        ?  
241  15  1  A   3  ASN  A   3  .  ?        4  
242  15  1  A   4  CYS  A   4  .  ?        1  
243  15  1  A   5  SER  A   5  .  ?        ?  
244  15  1  A   6  SER  A   6  .  ?        1  
245  15  1  A   7  LYS  A   7  .  ?        1  
246  15  1  A   8  TRP  A   8  .  ?        3  
247  15  1  A   9  CYS  A   9  .  ?        3  
248  15  1  A  10  ARG  A  10  .  ?        1  
249  15  1  A  11  ASP  A  11  .  ?        ?  
250  15  1  A  12  HIS  A  12  .  ?        2  
251  15  1  A  13  SER  A  13  .  ?        ?  
252  15  1  A  14  ARG  A  14  .  ?        ?  
253  15  1  A  15  CYS  A  15  .  ?        ?  
254  15  1  A  16  CYS  A  16  .  ?        ?  
255  15  1  A  17  NH2  A  17  .  ?        ?  
256  16  1  A   1  CYS  A   1  .  ?        ?  
257  16  1  A   2  CYS  A   2  .  ?        ?  
258  16  1  A   3  ASN  A   3  .  ?        ?  
259  16  1  A   4  CYS  A   4  .  ?        2  
260  16  1  A   5  SER  A   5  .  ?        ?  
261  16  1  A   6  SER  A   6  .  ?        1  
262  16  1  A   7  LYS  A   7  .  ?        1  
263  16  1  A   8  TRP  A   8  .  ?        6  
264  16  1  A   9  CYS  A   9  .  ?        1  
265  16  1  A  10  ARG  A  10  .  ?        2  
266  16  1  A  11  ASP  A  11  .  ?        2  
267  16  1  A  12  HIS  A  12  .  ?        5  
268  16  1  A  13  SER  A  13  .  ?        ?  
269  16  1  A  14  ARG  A  14  .  ?        ?  
270  16  1  A  15  CYS  A  15  .  ?        ?  
271  16  1  A  16  CYS  A  16  .  ?        ?  
272  16  1  A  17  NH2  A  17  .  ?        ?  
273  17  1  A   1  CYS  A   1  .  ?        ?  
274  17  1  A   2  CYS  A   2  .  ?        2  
275  17  1  A   3  ASN  A   3  .  ?        ?  
276  17  1  A   4  CYS  A   4  .  ?        2  
277  17  1  A   5  SER  A   5  .  ?        ?  
278  17  1  A   6  SER  A   6  .  ?        ?  
279  17  1  A   7  LYS  A   7  .  ?        ?  
280  17  1  A   8  TRP  A   8  .  ?        5  
281  17  1  A   9  CYS  A   9  .  ?        ?  
282  17  1  A  10  ARG  A  10  .  ?        3  
283  17  1  A  11  ASP  A  11  .  ?        ?  
284  17  1  A  12  HIS  A  12  .  ?        5  
285  17  1  A  13  SER  A  13  .  ?        2  
286  17  1  A  14  ARG  A  14  .  ?        ?  
287  17  1  A  15  CYS  A  15  .  ?        ?  
288  17  1  A  16  CYS  A  16  .  ?        1  
289  17  1  A  17  NH2  A  17  .  ?        ?  
290  18  1  A   1  CYS  A   1  .  ?        ?  
291  18  1  A   2  CYS  A   2  .  ?        ?  
292  18  1  A   3  ASN  A   3  .  ?        2  
293  18  1  A   4  CYS  A   4  .  ?        ?  
294  18  1  A   5  SER  A   5  .  ?        ?  
295  18  1  A   6  SER  A   6  .  ?        ?  
296  18  1  A   7  LYS  A   7  .  ?        ?  
297  18  1  A   8  TRP  A   8  .  ?        4  
298  18  1  A   9  CYS  A   9  .  ?        2  
299  18  1  A  10  ARG  A  10  .  ?        ?  
300  18  1  A  11  ASP  A  11  .  ?        ?  
301  18  1  A  12  HIS  A  12  .  ?        3  
302  18  1  A  13  SER  A  13  .  ?        1  
303  18  1  A  14  ARG  A  14  .  ?        ?  
304  18  1  A  15  CYS  A  15  .  ?        ?  
305  18  1  A  16  CYS  A  16  .  ?        ?  
306  18  1  A  17  NH2  A  17  .  ?        ?  
307  19  1  A   1  CYS  A   1  .  ?        1  
308  19  1  A   2  CYS  A   2  .  ?        1  
309  19  1  A   3  ASN  A   3  .  ?        ?  
310  19  1  A   4  CYS  A   4  .  ?        ?  
311  19  1  A   5  SER  A   5  .  ?        ?  
312  19  1  A   6  SER  A   6  .  ?        ?  
313  19  1  A   7  LYS  A   7  .  ?        ?  
314  19  1  A   8  TRP  A   8  .  ?        5  
315  19  1  A   9  CYS  A   9  .  ?        2  
316  19  1  A  10  ARG  A  10  .  ?        1  
317  19  1  A  11  ASP  A  11  .  ?        ?  
318  19  1  A  12  HIS  A  12  .  ?        3  
319  19  1  A  13  SER  A  13  .  ?        ?  
320  19  1  A  14  ARG  A  14  .  ?        ?  
321  19  1  A  15  CYS  A  15  .  ?        ?  
322  19  1  A  16  CYS  A  16  .  ?        1  
323  19  1  A  17  NH2  A  17  .  ?        ?  
324  20  1  A   1  CYS  A   1  .  ?        ?  
325  20  1  A   2  CYS  A   2  .  ?        ?  
326  20  1  A   3  ASN  A   3  .  ?        ?  
327  20  1  A   4  CYS  A   4  .  ?        ?  
328  20  1  A   5  SER  A   5  .  ?        ?  
329  20  1  A   6  SER  A   6  .  ?        ?  
330  20  1  A   7  LYS  A   7  .  ?        ?  
331  20  1  A   8  TRP  A   8  .  ?        2  
332  20  1  A   9  CYS  A   9  .  ?        ?  
333  20  1  A  10  ARG  A  10  .  ?        ?  
334  20  1  A  11  ASP  A  11  .  ?        ?  
335  20  1  A  12  HIS  A  12  .  ?        2  
336  20  1  A  13  SER  A  13  .  ?        ?  
337  20  1  A  14  ARG  A  14  .  ?        ?  
338  20  1  A  15  CYS  A  15  .  ?        ?  
339  20  1  A  16  CYS  A  16  .  ?        ?  
340  20  1  A  17  NH2  A  17  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.cyrange_domain_id
_pdbx_vrpt_model_instance_geometry.validate
  1    1  t             ?       ?  ?           6     6  0.91     8  1.49  molprobity     ?  False  
  2    2  p         -72.8  -169.2  Allowed     4     6  0.92     8  1.47  molprobity     1  True   
  3    3  p-10     -110.2   136.7  Favored     6     8  0.98    11  1.20  molprobity     1  True   
  4    4  m         -69.5    -4.3  Favored     4     6  0.91     8  1.52  molprobity     1  True   
  5    5  m         -75.8    -6.1  Favored     5     6  0.94     8  1.41  molprobity     1  True   
  6    6  OUTLIER  -123.6   131.9  Favored     5     6  0.91     8  1.42  molprobity     1  True   
  7    7  tptt      -55.9   -36.3  Favored    13     9  0.83    11  1.49  molprobity     1  True   
  8    8  t90       -56.0   -49.2  Favored    10    16  0.91    23  1.64  molprobity     1  True   
  9    9  t         -54.2   -52.7  Favored     4     6  0.94     8  1.51  molprobity     1  True   
 10   10  mtp180    -60.0   -28.2  Favored    13    11  1.17    14  1.60  molprobity     1  True   
 11   11  OUTLIER   -93.4   -43.1  Favored     4     8  1.08    11  1.19  molprobity     1  True   
 12   12  m-70      -84.3     9.4  Favored     7    11  0.84    15  1.12  molprobity     1  True   
 13   13  OUTLIER  -160.3   147.0  Favored     5     6  0.91     8  1.34  molprobity     1  True   
 14   14  mmt85    -102.7    19.0  Favored    13    11  1.22    14  1.52  molprobity     1  True   
 15   15  m         -71.3   -14.7  Favored     4     6  0.92     8  1.49  molprobity     1  True   
 16   16  OUTLIER   -92.5   -21.1  Favored     4     5  0.82     5  1.80  molprobity     1  True   
 17   17  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 18   18  m             ?       ?  ?           6     6  0.91     8  1.52  molprobity     ?  False  
 19   19  p         -63.2  -178.1  Allowed     4     6  0.93     8  1.43  molprobity     1  True   
 20   20  OUTLIER   -93.5   127.5  Favored     6     8  0.96    11  1.22  molprobity     1  True   
 21   21  m         -59.9   -31.6  Favored     4     6  0.94     8  1.49  molprobity     1  True   
 22   22  t         -43.7   -40.6  Favored     5     6  0.94     8  1.39  molprobity     1  True   
 23   23  OUTLIER   -86.9   115.4  Favored     5     6  0.92     8  1.40  molprobity     1  True   
 24   24  OUTLIER   -44.7   -36.2  Favored    13     9  0.82    11  1.49  molprobity     1  True   
 25   25  t90       -53.2   -49.7  Favored    10    16  0.93    23  1.63  molprobity     1  True   
 26   26  t         -51.5   -51.4  Favored     4     6  0.94     8  1.50  molprobity     1  True   
 27   27  mtm180    -66.8   -32.2  Favored    13    11  1.18    14  1.57  molprobity     1  True   
 28   28  OUTLIER   -84.8   -54.6  Favored     4     8  1.06    11  1.15  molprobity     1  True   
 29   29  m-70      -66.7   -39.1  Favored     7    11  0.83    15  1.10  molprobity     1  True   
 30   30  m        -110.0  -170.6  Allowed     5     6  0.91     8  1.37  molprobity     1  True   
 31   31  OUTLIER  -147.1    22.2  Allowed    13    11  1.19    14  1.51  molprobity     1  True   
 32   32  m         -80.6     4.0  Favored     4     6  0.92     8  1.49  molprobity     1  True   
 33   33  OUTLIER   -82.6   -51.3  Favored     4     5  0.80     5  1.79  molprobity     1  True   
 34   34  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 35   35  p             ?       ?  ?           6     6  0.92     8  1.48  molprobity     ?  False  
 36   36  p         -53.0  -170.7  OUTLIER     4     6  0.93     8  1.44  molprobity     1  True   
 37   37  p-10      -94.4   107.2  Favored     6     8  0.98    11  1.24  molprobity     1  True   
 38   38  m         -46.5   -28.5  Allowed     4     6  0.92     8  1.49  molprobity     1  True   
 39   39  OUTLIER   -49.4   -29.2  Favored     5     6  0.94     8  1.42  molprobity     1  True   
 40   40  OUTLIER   -91.5   120.1  Favored     5     6  0.91     8  1.40  molprobity     1  True   
 41   41  mtpt      -43.2   -44.8  Favored    13     9  0.82    11  1.49  molprobity     1  True   
 42   42  t90       -50.9   -56.4  Favored    10    16  0.91    23  1.64  molprobity     1  True   
 43   43  t         -45.1   -47.3  Favored     4     6  0.90     8  1.50  molprobity     1  True   
 44   44  mtt-85    -61.5   -39.3  Favored    13    11  1.14    14  1.54  molprobity     1  True   
 45   45  m-20      -94.2    13.5  Favored     4     8  1.06    11  1.17  molprobity     1  True   
 46   46  m-70     -136.7    20.6  Favored     7    11  0.80    15  1.11  molprobity     1  True   
 47   47  m        -157.7  -170.2  Favored     5     6  0.90     8  1.42  molprobity     1  True   
 48   48  ptp180   -136.1     2.5  Favored    13    11  1.21    14  1.51  molprobity     1  True   
 49   49  p         -84.5   -27.1  Favored     4     6  0.87     8  1.54  molprobity     1  True   
 50   50  m         -68.8   -10.3  Favored     4     5  0.70     5  1.89  molprobity     1  True   
 51   51  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 52   52  m             ?       ?  ?           6     6  0.92     8  1.50  molprobity     ?  False  
 53   53  p        -146.6  -162.4  Allowed     4     6  0.92     8  1.44  molprobity     1  True   
 54   54  p-10      -94.1   135.4  Favored     6     8  1.00    11  1.20  molprobity     1  True   
 55   55  m         -70.2    -7.2  Favored     4     6  0.88     8  1.61  molprobity     1  True   
 56   56  OUTLIER   -60.2   -20.6  Favored     5     6  0.91     8  1.45  molprobity     1  True   
 57   57  OUTLIER  -113.1   125.2  Favored     5     6  0.93     8  1.42  molprobity     1  True   
 58   58  mttp      -43.3   -43.1  Favored    13     9  0.82    11  1.50  molprobity     1  True   
 59   59  t90       -49.2   -52.1  Favored    10    16  0.91    23  1.63  molprobity     1  True   
 60   60  t         -52.6   -45.1  Favored     4     6  0.93     8  1.45  molprobity     1  True   
 61   61  mtm180    -69.5   -23.8  Favored    13    11  1.16    14  1.57  molprobity     1  True   
 62   62  m-20      -98.8   -20.2  Favored     4     8  1.04    11  1.18  molprobity     1  True   
 63   63  m-70     -104.2    -4.4  Favored     7    11  0.83    15  1.11  molprobity     1  True   
 64   64  OUTLIER  -145.4   156.2  Favored     5     6  0.91     8  1.41  molprobity     1  True   
 65   65  OUTLIER  -102.3    -2.5  Favored    13    11  1.21    14  1.49  molprobity     1  True   
 66   66  m         -55.1   -34.8  Favored     4     6  0.90     8  1.46  molprobity     1  True   
 67   67  m         -70.2    53.2  Allowed     4     5  0.71     5  1.89  molprobity     1  True   
 68   68  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 69   69  OUTLIER       ?       ?  ?           6     6  0.93     8  1.50  molprobity     ?  False  
 70   70  p         -55.2  -179.4  OUTLIER     4     6  0.93     8  1.48  molprobity     1  True   
 71   71  OUTLIER  -100.5   135.2  Favored     6     8  1.01    11  1.19  molprobity     1  True   
 72   72  m         -64.0   -14.3  Favored     4     6  0.87     8  1.52  molprobity     1  True   
 73   73  t         -66.3   -11.3  Favored     5     6  0.89     8  1.39  molprobity     1  True   
 74   74  OUTLIER  -109.8   118.8  Favored     5     6  0.93     8  1.40  molprobity     1  True   
 75   75  OUTLIER   -49.3   -36.7  Favored    13     9  0.82    11  1.49  molprobity     1  True   
 76   76  t90       -56.6   -57.5  Favored    10    16  0.91    23  1.65  molprobity     1  True   
 77   77  t         -46.1   -55.0  Favored     4     6  0.92     8  1.47  molprobity     1  True   
 78   78  mtp180    -59.9   -29.9  Favored    13    11  1.18    14  1.59  molprobity     1  True   
 79   79  OUTLIER  -100.1     6.8  Favored     4     8  1.05    11  1.18  molprobity     1  True   
 80   80  m-70     -132.9    13.1  Favored     7    11  0.83    15  1.10  molprobity     1  True   
 81   81  p        -172.9   159.0  Favored     5     6  0.94     8  1.37  molprobity     1  True   
 82   82  OUTLIER  -101.9     0.7  Favored    13    11  1.21    14  1.54  molprobity     1  True   
 83   83  m         -56.7   -16.9  Favored     4     6  0.95     8  1.48  molprobity     1  True   
 84   84  m         -87.5     0.6  Favored     4     5  0.78     5  1.86  molprobity     1  True   
 85   85  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
 86   86  t             ?       ?  ?           6     6  0.91     8  1.50  molprobity     ?  False  
 87   87  p        -131.8  -179.5  Favored     4     6  0.94     8  1.46  molprobity     1  True   
 88   88  p-10      -85.6   117.0  Favored     6     8  0.97    11  1.22  molprobity     1  True   
 89   89  m         -54.3   -27.1  Favored     4     6  0.93     8  1.51  molprobity     1  True   
 90   90  m         -42.7   -34.9  Allowed     5     6  0.95     8  1.40  molprobity     1  True   
 91   91  OUTLIER   -90.8   119.8  Favored     5     6  0.91     8  1.39  molprobity     1  True   
 92   92  mtmm      -42.2   -40.7  Favored    13     9  0.81    11  1.48  molprobity     1  True   
 93   93  t90       -52.5   -57.4  Favored    10    16  0.92    23  1.63  molprobity     1  True   
 94   94  t         -44.5   -46.4  Favored     4     6  0.93     8  1.47  molprobity     1  True   
 95   95  mtt-85    -62.9   -34.9  Favored    13    11  1.17    14  1.58  molprobity     1  True   
 96   96  t0       -100.2     2.2  Favored     4     8  1.07    11  1.17  molprobity     1  True   
 97   97  m-70     -134.0    38.9  Favored     7    11  0.82    15  1.07  molprobity     1  True   
 98   98  OUTLIER  -171.1  -178.5  Favored     5     6  0.95     8  1.37  molprobity     1  True   
 99   99  OUTLIER  -125.4    11.1  Favored    13    11  1.18    14  1.47  molprobity     1  True   
100  100  m         -76.1   -27.8  Favored     4     6  0.90     8  1.44  molprobity     1  True   
101  101  OUTLIER   -91.8    57.2  Favored     4     5  0.80     5  1.80  molprobity     1  True   
102  102  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
103  103  t             ?       ?  ?           6     6  0.93     8  1.45  molprobity     ?  False  
104  104  p         -65.8   169.9  Favored     4     6  0.94     8  1.37  molprobity     1  True   
105  105  p-10      -72.2   132.1  Favored     6     8  0.97    11  1.23  molprobity     1  True   
106  106  m         -78.4     6.6  Favored     4     6  0.91     8  1.48  molprobity     1  True   
107  107  m         -79.0   -18.6  Favored     5     6  0.93     8  1.38  molprobity     1  True   
108  108  OUTLIER  -107.1   125.7  Favored     5     6  0.93     8  1.41  molprobity     1  True   
109  109  tmtt?     -50.9   -26.9  Favored    13     9  0.79    11  1.48  molprobity     1  True   
110  110  t90       -62.0   -56.0  Favored    10    16  0.90    23  1.63  molprobity     1  True   
111  111  t         -51.0   -57.5  Favored     4     6  0.90     8  1.48  molprobity     1  True   
112  112  mtp85     -50.8   -32.9  Favored    13    11  1.18    14  1.57  molprobity     1  True   
113  113  t0       -100.5    -3.0  Favored     4     8  1.07    11  1.18  molprobity     1  True   
114  114  m-70     -116.7    28.2  Favored     7    11  0.82    15  1.09  molprobity     1  True   
115  115  p        -168.0   160.6  Favored     5     6  0.93     8  1.36  molprobity     1  True   
116  116  OUTLIER  -107.7    17.3  Favored    13    11  1.19    14  1.48  molprobity     1  True   
117  117  p         -97.5   -37.2  Favored     4     6  0.87     8  1.50  molprobity     1  True   
118  118  t         -64.9    81.4  OUTLIER     4     5  0.80     5  1.75  molprobity     1  True   
119  119  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
120  120  m             ?       ?  ?           6     6  0.91     8  1.50  molprobity     ?  False  
121  121  p         -47.0   168.9  OUTLIER     4     6  0.91     8  1.46  molprobity     1  True   
122  122  OUTLIER   -80.4   126.7  Favored     6     8  0.97    11  1.22  molprobity     1  True   
123  123  m         -63.1   -13.8  Favored     4     6  0.91     8  1.49  molprobity     1  True   
124  124  p         -49.0   -29.5  Favored     5     6  0.93     8  1.41  molprobity     1  True   
125  125  OUTLIER  -105.9   128.3  Favored     5     6  0.92     8  1.35  molprobity     1  True   
126  126  mttm      -53.7   -25.3  Favored    13     9  0.81    11  1.50  molprobity     1  True   
127  127  t90       -60.1   -49.5  Favored    10    16  0.92    23  1.65  molprobity     1  True   
128  128  t         -55.9   -54.3  Favored     4     6  0.93     8  1.50  molprobity     1  True   
129  129  mtp180    -58.3   -30.9  Favored    13    11  1.17    14  1.61  molprobity     1  True   
130  130  m-20      -89.4   -52.3  Favored     4     8  1.07    11  1.13  molprobity     1  True   
131  131  m-70      -67.5    -7.0  Favored     7    11  0.83    15  1.09  molprobity     1  True   
132  132  OUTLIER  -140.7   174.0  Favored     5     6  0.91     8  1.43  molprobity     1  True   
133  133  ptp85    -132.4    28.1  Favored    13    11  1.19    14  1.51  molprobity     1  True   
134  134  m         -84.8   -31.6  Favored     4     6  0.91     8  1.46  molprobity     1  True   
135  135  OUTLIER   -56.4   100.3  OUTLIER     4     5  0.81     5  1.83  molprobity     1  True   
136  136  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
137  137  p             ?       ?  ?           6     6  0.92     8  1.48  molprobity     ?  False  
138  138  p         -55.3  -163.9  OUTLIER     4     6  0.96     8  1.45  molprobity     1  True   
139  139  p-10      -97.8   123.2  Favored     6     8  0.99    11  1.20  molprobity     1  True   
140  140  m         -60.6   -27.2  Favored     4     6  0.92     8  1.50  molprobity     1  True   
141  141  OUTLIER   -47.1   -34.3  Favored     5     6  0.92     8  1.42  molprobity     1  True   
142  142  OUTLIER   -95.2   120.2  Favored     5     6  0.92     8  1.37  molprobity     1  True   
143  143  OUTLIER   -46.0   -44.4  Favored    13     9  0.80    11  1.50  molprobity     1  True   
144  144  t90       -47.2   -54.3  Favored    10    16  0.92    23  1.63  molprobity     1  True   
145  145  t         -44.2   -51.1  Favored     4     6  0.90     8  1.50  molprobity     1  True   
146  146  mtt180    -63.0   -26.8  Favored    13    11  1.14    14  1.60  molprobity     1  True   
147  147  OUTLIER   -89.9   -30.9  Favored     4     8  1.07    11  1.18  molprobity     1  True   
148  148  m-70      -98.3    11.5  Favored     7    11  0.84    15  1.10  molprobity     1  True   
149  149  m        -144.7  -178.3  Favored     5     6  0.91     8  1.42  molprobity     1  True   
150  150  ptp180   -138.6    18.4  Favored    13    11  1.18    14  1.50  molprobity     1  True   
151  151  p         -86.5   -24.7  Favored     4     6  0.88     8  1.49  molprobity     1  True   
152  152  OUTLIER   -75.7  -150.2  OUTLIER     4     5  0.82     5  1.80  molprobity     1  True   
153  153  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
154  154  p             ?       ?  ?           6     6  0.93     8  1.47  molprobity     ?  False  
155  155  p         -73.1  -167.7  Allowed     4     6  0.89     8  1.51  molprobity     1  True   
156  156  p-10     -120.6   146.9  Favored     6     8  0.98    11  1.25  molprobity     1  True   
157  157  m         -68.9   -17.6  Favored     4     6  0.93     8  1.54  molprobity     1  True   
158  158  OUTLIER   -69.8    -9.5  Favored     5     6  0.93     8  1.42  molprobity     1  True   
159  159  OUTLIER  -115.6   119.5  Favored     5     6  0.95     8  1.38  molprobity     1  True   
160  160  OUTLIER   -50.9   -38.6  Favored    13     9  0.83    11  1.50  molprobity     1  True   
161  161  t90       -55.0   -53.9  Favored    10    16  0.90    23  1.66  molprobity     1  True   
162  162  t         -45.3   -54.4  Favored     4     6  0.95     8  1.51  molprobity     1  True   
163  163  mtm180    -61.7   -22.7  Favored    13    11  1.19    14  1.63  molprobity     1  True   
164  164  m-20      -97.7   -50.1  Favored     4     8  1.07    11  1.19  molprobity     1  True   
165  165  m-70      -81.4     2.1  Favored     7    11  0.84    15  1.10  molprobity     1  True   
166  166  OUTLIER  -149.8   178.1  Favored     5     6  0.93     8  1.31  molprobity     1  True   
167  167  ptt180   -128.7     7.7  Favored    13    11  1.18    14  1.50  molprobity     1  True   
168  168  t         -59.8   -24.6  Favored     4     6  0.91     8  1.47  molprobity     1  True   
169  169  t         -80.7   -47.5  Favored     4     5  0.79     5  1.83  molprobity     1  True   
170  170  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
171  171  m             ?       ?  ?           6     6  0.93     8  1.48  molprobity     ?  False  
172  172  p         -62.9   177.1  Allowed     4     6  0.93     8  1.43  molprobity     1  True   
173  173  OUTLIER   -81.3   108.2  Favored     6     8  0.98    11  1.22  molprobity     1  True   
174  174  m         -58.2   -15.1  Favored     4     6  0.92     8  1.50  molprobity     1  True   
175  175  t         -65.8    -8.9  Favored     5     6  0.94     8  1.41  molprobity     1  True   
176  176  OUTLIER  -114.6   125.7  Favored     5     6  0.93     8  1.37  molprobity     1  True   
177  177  OUTLIER   -43.7   -35.5  Allowed    13     9  0.83    11  1.51  molprobity     1  True   
178  178  t90       -57.7   -51.9  Favored    10    16  0.93    23  1.63  molprobity     1  True   
179  179  t         -54.5   -52.5  Favored     4     6  0.91     8  1.50  molprobity     1  True   
180  180  mtp85     -59.0   -27.9  Favored    13    11  1.17    14  1.59  molprobity     1  True   
181  181  OUTLIER   -97.4   -19.1  Favored     4     8  1.08    11  1.17  molprobity     1  True   
182  182  m-70     -108.7    27.8  Favored     7    11  0.80    15  1.11  molprobity     1  True   
183  183  p        -170.1   174.3  Favored     5     6  0.94     8  1.30  molprobity     1  True   
184  184  mtm180   -122.4    11.7  Favored    13    11  1.15    14  1.51  molprobity     1  True   
185  185  OUTLIER   -75.4   -40.4  Favored     4     6  0.92     8  1.48  molprobity     1  True   
186  186  m         -59.4   175.1  Allowed     4     5  0.72     5  1.93  molprobity     1  True   
187  187  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
188  188  t             ?       ?  ?           6     6  0.92     8  1.51  molprobity     ?  False  
189  189  p        -121.9  -174.5  Favored     4     6  0.94     8  1.42  molprobity     1  True   
190  190  p-10      -98.4   145.2  Favored     6     8  0.98    11  1.22  molprobity     1  True   
191  191  m         -71.3   -24.8  Favored     4     6  0.90     8  1.56  molprobity     1  True   
192  192  m         -48.2   -27.2  Favored     5     6  0.94     8  1.37  molprobity     1  True   
193  193  OUTLIER   -99.7   122.3  Favored     5     6  0.92     8  1.38  molprobity     1  True   
194  194  tttt      -52.5   -34.6  Favored    13     9  0.82    11  1.48  molprobity     1  True   
195  195  t90       -55.4   -55.6  Favored    10    16  0.92    23  1.62  molprobity     1  True   
196  196  t         -45.1   -49.3  Favored     4     6  0.93     8  1.49  molprobity     1  True   
197  197  mtp85     -63.2   -30.8  Favored    13    11  1.16    14  1.59  molprobity     1  True   
198  198  OUTLIER  -100.3    -1.2  Favored     4     8  1.08    11  1.22  molprobity     1  True   
199  199  m-70     -127.9     7.8  Favored     7    11  0.82    15  1.10  molprobity     1  True   
200  200  m        -148.2  -163.6  Allowed     5     6  0.92     8  1.37  molprobity     1  True   
201  201  OUTLIER  -139.8    10.2  Favored    13    11  1.21    14  1.52  molprobity     1  True   
202  202  m         -67.5   -45.1  Favored     4     6  0.91     8  1.49  molprobity     1  True   
203  203  m         -57.6   -84.7  OUTLIER     4     5  0.71     5  1.91  molprobity     1  True   
204  204  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
205  205  p             ?       ?  ?           6     6  0.93     8  1.48  molprobity     ?  False  
206  206  p         -71.5   169.2  Favored     4     6  0.92     8  1.46  molprobity     1  True   
207  207  p-10      -90.6   145.0  Favored     6     8  0.97    11  1.22  molprobity     1  True   
208  208  m         -70.8    -7.8  Favored     4     6  0.91     8  1.50  molprobity     1  True   
209  209  OUTLIER   -70.4    -8.7  Favored     5     6  0.93     8  1.41  molprobity     1  True   
210  210  OUTLIER  -111.5   123.9  Favored     5     6  0.91     8  1.40  molprobity     1  True   
211  211  OUTLIER   -51.0   -38.5  Favored    13     9  0.82    11  1.53  molprobity     1  True   
212  212  t90       -57.3   -56.6  Favored    10    16  0.92    23  1.62  molprobity     1  True   
213  213  t         -46.1   -54.2  Favored     4     6  0.93     8  1.50  molprobity     1  True   
214  214  mtp180    -57.0   -31.8  Favored    13    11  1.17    14  1.58  molprobity     1  True   
215  215  OUTLIER  -100.7    15.7  Favored     4     8  1.03    11  1.21  molprobity     1  True   
216  216  m-70     -145.1    17.7  Allowed     7    11  0.85    15  1.12  molprobity     1  True   
217  217  OUTLIER  -160.4  -175.6  Favored     5     6  0.92     8  1.28  molprobity     1  True   
218  218  OUTLIER  -119.2   -12.6  Favored    13    11  1.18    14  1.54  molprobity     1  True   
219  219  OUTLIER   -46.2   -34.7  Favored     4     6  0.91     8  1.49  molprobity     1  True   
220  220  OUTLIER   -86.1   -20.7  Favored     4     5  0.83     5  1.81  molprobity     1  True   
221  221  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
222  222  t             ?       ?  ?           6     6  0.94     8  1.50  molprobity     ?  False  
223  223  p         -67.5  -174.3  Allowed     4     6  0.92     8  1.42  molprobity     1  True   
224  224  p-10     -116.5   132.8  Favored     6     8  0.97    11  1.20  molprobity     1  True   
225  225  m         -58.0   -14.2  Favored     4     6  0.94     8  1.51  molprobity     1  True   
226  226  OUTLIER   -65.3   -15.2  Favored     5     6  0.90     8  1.37  molprobity     1  True   
227  227  OUTLIER  -112.5   122.4  Favored     5     6  0.96     8  1.34  molprobity     1  True   
228  228  mttp      -51.6   -39.8  Favored    13     9  0.79    11  1.53  molprobity     1  True   
229  229  t90       -52.3   -54.8  Favored    10    16  0.91    23  1.63  molprobity     1  True   
230  230  t         -45.2   -53.2  Favored     4     6  0.94     8  1.49  molprobity     1  True   
231  231  mtp180    -59.8   -32.7  Favored    13    11  1.17    14  1.60  molprobity     1  True   
232  232  OUTLIER   -97.2     7.4  Favored     4     8  1.07    11  1.18  molprobity     1  True   
233  233  m-70     -134.4    22.7  Favored     7    11  0.82    15  1.12  molprobity     1  True   
234  234  OUTLIER   176.5   143.1  Allowed     5     6  0.94     8  1.40  molprobity     1  True   
235  235  mtp180    -76.0     1.7  Favored    13    11  1.23    14  1.51  molprobity     1  True   
236  236  OUTLIER   -43.0   -63.0  Allowed     4     6  0.94     8  1.48  molprobity     1  True   
237  237  OUTLIER   -59.5  -165.8  OUTLIER     4     5  0.82     5  1.80  molprobity     1  True   
238  238  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
239  239  p             ?       ?  ?           6     6  0.94     8  1.49  molprobity     ?  False  
240  240  p         -88.2  -179.0  Favored     4     6  0.95     8  1.39  molprobity     1  True   
241  241  p-10      -95.8   136.5  Favored     6     8  0.99    11  1.19  molprobity     1  True   
242  242  m         -67.1   -11.2  Favored     4     6  0.95     8  1.51  molprobity     1  True   
243  243  m         -69.1    -6.6  Favored     5     6  0.93     8  1.42  molprobity     1  True   
244  244  OUTLIER  -115.5   117.5  Favored     5     6  0.93     8  1.42  molprobity     1  True   
245  245  OUTLIER   -44.7   -40.9  Favored    13     9  0.82    11  1.47  molprobity     1  True   
246  246  t90       -56.6   -54.7  Favored    10    16  0.91    23  1.63  molprobity     1  True   
247  247  t         -45.6   -53.5  Favored     4     6  0.91     8  1.51  molprobity     1  True   
248  248  mtm180    -60.6   -29.8  Favored    13    11  1.19    14  1.57  molprobity     1  True   
249  249  m-20      -99.8     1.2  Favored     4     8  1.01    11  1.19  molprobity     1  True   
250  250  m-70     -135.2    33.2  Favored     7    11  0.83    15  1.09  molprobity     1  True   
251  251  p        -166.3  -175.5  Favored     5     6  0.98     8  1.26  molprobity     1  True   
252  252  OUTLIER  -128.9     6.0  Favored    13    11  1.17    14  1.57  molprobity     1  True   
253  253  OUTLIER   -68.1   -37.6  Favored     4     6  0.92     8  1.49  molprobity     1  True   
254  254  OUTLIER   -77.5   102.6  Favored     4     5  0.79     5  1.82  molprobity     1  True   
255  255  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
256  256  OUTLIER       ?       ?  ?           6     6  0.91     8  1.50  molprobity     ?  False  
257  257  p        -128.0  -172.6  Favored     4     6  0.94     8  1.45  molprobity     1  True   
258  258  p-10      -86.3   122.2  Favored     6     8  1.01    11  1.21  molprobity     1  True   
259  259  m         -60.2   -20.1  Favored     4     6  0.90     8  1.55  molprobity     1  True   
260  260  m         -56.7   -15.9  Favored     5     6  0.93     8  1.43  molprobity     1  True   
261  261  OUTLIER  -105.9   118.3  Favored     5     6  0.91     8  1.43  molprobity     1  True   
262  262  tttm      -41.0   -46.1  Favored    13     9  0.82    11  1.57  molprobity     1  True   
263  263  t90       -51.0   -56.1  Favored    10    16  0.91    23  1.65  molprobity     1  True   
264  264  t         -47.8   -46.6  Favored     4     6  0.93     8  1.53  molprobity     1  True   
265  265  mtp180    -66.2   -27.7  Favored    13    11  1.18    14  1.61  molprobity     1  True   
266  266  m-20      -99.6   -21.5  Favored     4     8  1.10    11  1.20  molprobity     1  True   
267  267  m-70      -99.3     9.5  Favored     7    11  0.83    15  1.13  molprobity     1  True   
268  268  OUTLIER  -148.9   166.5  Favored     5     6  0.86     8  1.48  molprobity     1  True   
269  269  ppt_?    -119.8     7.5  Favored    13    11  1.19    14  1.51  molprobity     1  True   
270  270  p         -92.4   -13.7  Favored     4     6  0.88     8  1.52  molprobity     1  True   
271  271  m         -80.5   -82.8  Allowed     4     5  0.79     5  1.79  molprobity     1  True   
272  272  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
273  273  p             ?       ?  ?           6     6  0.91     8  1.49  molprobity     ?  False  
274  274  p         -66.1  -177.0  Allowed     4     6  0.93     8  1.48  molprobity     1  True   
275  275  p-10     -108.0   122.2  Favored     6     8  0.98    11  1.22  molprobity     1  True   
276  276  m         -54.0   -30.6  Favored     4     6  0.89     8  1.53  molprobity     1  True   
277  277  OUTLIER   -45.2   -28.7  Allowed     5     6  0.93     8  1.42  molprobity     1  True   
278  278  OUTLIER  -102.0   125.4  Favored     5     6  0.93     8  1.38  molprobity     1  True   
279  279  OUTLIER   -49.2   -32.2  Favored    13     9  0.83    11  1.47  molprobity     1  True   
280  280  t90       -56.0   -54.3  Favored    10    16  0.91    23  1.64  molprobity     1  True   
281  281  t         -51.5   -52.1  Favored     4     6  0.97     8  1.49  molprobity     1  True   
282  282  mtp180    -62.5   -29.5  Favored    13    11  1.18    14  1.62  molprobity     1  True   
283  283  OUTLIER  -100.4   -13.3  Favored     4     8  1.09    11  1.25  molprobity     1  True   
284  284  m-70     -104.9   -45.7  Favored     7    11  0.84    15  1.08  molprobity     1  True   
285  285  m         -93.0   177.7  Favored     5     6  0.93     8  1.40  molprobity     1  True   
286  286  OUTLIER  -124.7    11.1  Favored    13    11  1.20    14  1.54  molprobity     1  True   
287  287  p         -85.5   -18.9  Favored     4     6  0.90     8  1.53  molprobity     1  True   
288  288  t         -73.3   -27.7  Favored     4     5  0.78     5  1.81  molprobity     1  True   
289  289  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
290  290  m             ?       ?  ?           6     6  0.90     8  1.49  molprobity     ?  False  
291  291  p        -122.4   169.8  Favored     4     6  0.94     8  1.43  molprobity     1  True   
292  292  p-10      -84.7   144.7  Favored     6     8  0.98    11  1.20  molprobity     1  True   
293  293  m         -68.5   -37.0  Favored     4     6  0.89     8  1.54  molprobity     1  True   
294  294  OUTLIER   -43.6   -31.0  Allowed     5     6  0.92     8  1.41  molprobity     1  True   
295  295  OUTLIER   -86.9   112.3  Favored     5     6  0.96     8  1.39  molprobity     1  True   
296  296  mmmt      -47.4   -40.7  Favored    13     9  0.81    11  1.50  molprobity     1  True   
297  297  t90       -52.4   -55.6  Favored    10    16  0.89    23  1.64  molprobity     1  True   
298  298  t         -45.9   -50.5  Favored     4     6  0.97     8  1.48  molprobity     1  True   
299  299  mtp85     -64.8   -38.0  Favored    13    11  1.20    14  1.59  molprobity     1  True   
300  300  OUTLIER   -86.8   -31.4  Favored     4     8  1.12    11  1.16  molprobity     1  True   
301  301  m-70      -91.5   -65.0  Allowed     7    11  0.82    15  1.13  molprobity     1  True   
302  302  OUTLIER   -89.7   164.3  Favored     5     6  0.92     8  1.36  molprobity     1  True   
303  303  mtt180   -111.5     2.5  Favored    13    11  1.19    14  1.54  molprobity     1  True   
304  304  m         -55.0   -17.4  Favored     4     6  0.91     8  1.49  molprobity     1  True   
305  305  t         -72.9    62.8  Allowed     4     5  0.80     5  1.80  molprobity     1  True   
306  306  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
307  307  p             ?       ?  ?           6     6  0.91     8  1.49  molprobity     ?  False  
308  308  p         -56.2  -167.0  OUTLIER     4     6  0.92     8  1.47  molprobity     1  True   
309  309  OUTLIER  -119.4   151.8  Favored     6     8  0.97    11  1.23  molprobity     1  True   
310  310  m         -71.2   -13.0  Favored     4     6  0.93     8  1.50  molprobity     1  True   
311  311  t         -72.1   -18.6  Favored     5     6  0.91     8  1.41  molprobity     1  True   
312  312  OUTLIER  -102.2   121.9  Favored     5     6  0.92     8  1.40  molprobity     1  True   
313  313  tttp      -55.4   -42.0  Favored    13     9  0.82    11  1.49  molprobity     1  True   
314  314  t90       -52.9   -55.7  Favored    10    16  0.91    23  1.62  molprobity     1  True   
315  315  t         -44.2   -54.3  Favored     4     6  0.93     8  1.51  molprobity     1  True   
316  316  mtm180    -61.5   -30.5  Favored    13    11  1.16    14  1.61  molprobity     1  True   
317  317  OUTLIER  -100.3     3.7  Favored     4     8  1.06    11  1.21  molprobity     1  True   
318  318  m-70     -134.4    -5.5  Favored     7    11  0.84    15  1.10  molprobity     1  True   
319  319  OUTLIER  -131.5  -176.1  Favored     5     6  0.95     8  1.39  molprobity     1  True   
320  320  ptt180   -124.8    16.2  Favored    13    11  1.20    14  1.49  molprobity     1  True   
321  321  OUTLIER   -80.5   -34.8  Favored     4     6  0.93     8  1.48  molprobity     1  True   
322  322  t         -88.1    11.7  Favored     4     5  0.82     5  1.84  molprobity     1  True   
323  323  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
324  324  OUTLIER       ?       ?  ?           6     6  0.94     8  1.50  molprobity     ?  False  
325  325  p        -119.4   179.7  Favored     4     6  0.95     8  1.33  molprobity     1  True   
326  326  OUTLIER   -86.7   118.7  Favored     6     8  0.96    11  1.26  molprobity     1  True   
327  327  m         -56.3   -19.7  Favored     4     6  0.92     8  1.45  molprobity     1  True   
328  328  OUTLIER   -56.4   -44.2  Favored     5     6  0.96     8  1.39  molprobity     1  True   
329  329  OUTLIER   -80.8   121.8  Favored     5     6  0.92     8  1.41  molprobity     1  True   
330  330  tttp      -49.0   -38.2  Favored    13     9  0.83    11  1.48  molprobity     1  True   
331  331  t90       -49.9   -49.0  Favored    10    16  0.90    23  1.64  molprobity     1  True   
332  332  t         -54.3   -50.1  Favored     4     6  0.96     8  1.50  molprobity     1  True   
333  333  mtm180    -68.2   -23.5  Favored    13    11  1.17    14  1.59  molprobity     1  True   
334  334  OUTLIER   -98.4   -23.6  Favored     4     8  1.08    11  1.17  molprobity     1  True   
335  335  m-70     -101.3   -31.9  Favored     7    11  0.79    15  1.12  molprobity     1  True   
336  336  m        -104.0  -173.2  Favored     5     6  0.94     8  1.37  molprobity     1  True   
337  337  mtp85    -130.7    -2.3  Favored    13    11  1.21    14  1.52  molprobity     1  True   
338  338  m         -55.4   -43.5  Favored     4     6  0.93     8  1.50  molprobity     1  True   
339  339  OUTLIER   -67.7   123.5  Favored     4     5  0.80     5  1.80  molprobity     1  True   
340  340  ?             ?       ?  ?           ?     ?     ?     ?     ?  ?              ?  False  
#
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    2  SG     1  0.46  2.74  
  2    3  OD1    2  0.52  2.43  
  3    3  N      2  0.52  2.43  
  4    3  O      3  0.49  2.61  
  5    3  O      4  0.44  2.75  
  6    9  CB     3  0.49  2.61  
  7    9  O      5  0.45  2.34  
  8    9  SG     4  0.44  2.75  
  9   13  OG     1  0.46  2.74  
 10   13  OG     5  0.45  2.34  
 11   20  O      6  0.50  2.60  
 12   23  O      7  0.42  2.58  
 13   24  C      7  0.42  2.58  
 14   25  CD1    8  0.60  2.89  
 15   25  NE1    9  0.54  2.75  
 16   25  O     10  0.48  2.42  
 17   26  CB     6  0.50  2.60  
 18   29  CD2    8  0.60  2.89  
 19   29  CG     9  0.54  2.75  
 20   29  N     10  0.48  2.42  
 21   35  O     11  0.45  2.34  
 22   36  O     11  0.45  2.34  
 23   37  CG    12  0.41  2.59  
 24   37  O     12  0.41  2.59  
 25   38  O     13  0.52  2.43  
 26   40  O     14  0.42  2.57  
 27   41  C     14  0.42  2.57  
 28   42  CD1   15  0.49  3.01  
 29   42  NE1   16  0.47  2.83  
 30   42  NE1   17  0.41  2.69  
 31   44  NE    13  0.52  2.43  
 32   44  NH1   18  0.42  2.29  
 33   44  HG2   18  0.42  2.29  
 34   46  CD2   15  0.49  3.01  
 35   46  CG    16  0.47  2.83  
 36   46  ND1   17  0.41  2.69  
 37   54  O     19  0.50  2.58  
 38   54  O     20  0.45  2.74  
 39   57  O     21  0.41  2.58  
 40   58  C     21  0.41  2.58  
 41   59  CD1   22  0.68  2.81  
 42   59  O     23  0.44  2.46  
 43   60  CB    19  0.50  2.58  
 44   60  SG    20  0.45  2.74  
 45   63  CD2   22  0.68  2.81  
 46   63  N     23  0.44  2.46  
 47   72  O     24  0.45  2.11  
 48   72  O     25  0.41  2.69  
 49   76  CD1   26  0.51  2.99  
 50   76  O     27  0.49  2.46  
 51   76  CE3   28  0.44  2.85  
 52   76  NE1   29  0.40  2.88  
 53   77  O     30  0.45  2.35  
 54   77  N     28  0.44  2.85  
 55   78  HD2   24  0.45  2.11  
 56   78  CD    25  0.41  2.69  
 57   80  CD2   26  0.51  2.99  
 58   80  N     27  0.49  2.46  
 59   80  CG    29  0.40  2.88  
 60   81  OG    30  0.45  2.35  
 61   87  C     31  0.40  3.00  
 62   89  O     32  0.52  2.42  
 63   89  O     33  0.40  2.57  
 64   90  C     33  0.40  2.57  
 65   91  O     34  0.44  2.56  
 66   92  C     34  0.44  2.56  
 67   92  HA    35  0.43  2.42  
 68   93  O     36  0.53  2.42  
 69   93  O     37  0.42  2.57  
 70   93  NE1   38  0.52  2.77  
 71   93  CD1   39  0.41  3.08  
 72   94  C     37  0.42  2.57  
 73   94  SG    31  0.40  3.00  
 74   95  NE    32  0.52  2.42  
 75   95  CD    35  0.43  2.42  
 76   95  NH1   40  0.42  2.29  
 77   95  HG2   40  0.42  2.29  
 78   97  N     36  0.53  2.42  
 79   97  CG    38  0.52  2.77  
 80   97  CG    39  0.41  3.08  
 81  105  O     41  0.46  2.74  
 82  105  O     42  0.45  2.65  
 83  110  CD1   43  0.63  2.87  
 84  110  CD1   44  0.40  3.09  
 85  110  O     45  0.53  2.42  
 86  110  O     46  0.41  2.16  
 87  110  NE1   47  0.46  2.62  
 88  110  NE1   48  0.45  2.84  
 89  110  NE1   49  0.41  2.88  
 90  111  SG    41  0.46  2.74  
 91  111  CB    42  0.45  2.65  
 92  112  HG2   50  0.42  2.54  
 93  112  CG    51  0.40  3.09  
 94  114  CD2   43  0.63  2.87  
 95  114  N     45  0.53  2.42  
 96  114  ND1   47  0.46  2.62  
 97  114  CG    48  0.45  2.84  
 98  114  CG    44  0.40  3.09  
 99  114  HB2   46  0.41  2.16  
100  114  CE1   49  0.41  2.88  
101  118  SG    50  0.42  2.54  
102  118  SG    51  0.40  3.09  
103  127  CE3   52  0.48  2.81  
104  128  N     52  0.48  2.81  
105  137  O     53  0.47  2.33  
106  138  O     53  0.47  2.33  
107  139  O     54  0.50  2.60  
108  139  O     55  0.41  2.59  
109  139  O     56  0.40  2.38  
110  139  CG    55  0.41  2.59  
111  139  OD1   56  0.40  2.38  
112  144  NE1   57  0.62  2.67  
113  144  NE1   58  0.45  2.85  
114  144  CD1   59  0.62  2.87  
115  144  O     60  0.44  2.50  
116  144  O     61  0.43  2.57  
117  144  CE3   62  0.41  2.88  
118  145  CB    54  0.50  2.60  
119  145  C     61  0.43  2.57  
120  145  N     62  0.41  2.88  
121  147  N     60  0.44  2.50  
122  148  CD2   57  0.62  2.67  
123  148  CD2   59  0.62  2.87  
124  148  CG    58  0.45  2.85  
125  156  O     63  0.45  2.74  
126  156  O     64  0.45  2.65  
127  156  OD1   65  0.45  2.49  
128  156  N     65  0.45  2.49  
129  161  NE1   66  0.57  2.73  
130  161  CD1   67  0.45  3.05  
131  161  O     68  0.43  2.42  
132  161  O     69  0.40  2.58  
133  161  CE3   70  0.41  2.88  
134  162  SG    63  0.45  2.74  
135  162  CB    64  0.45  2.65  
136  162  O     71  0.43  2.36  
137  162  N     70  0.41  2.88  
138  162  C     69  0.40  2.58  
139  163  CD    72  0.52  2.98  
140  163  HD3   73  0.40  2.56  
141  165  CG    66  0.57  2.73  
142  165  CD2   67  0.45  3.05  
143  165  N     68  0.43  2.42  
144  166  OG    71  0.43  2.36  
145  169  SG    72  0.52  2.98  
146  169  SG    73  0.40  2.56  
147  172  C     74  0.42  2.98  
148  173  O     75  0.44  2.66  
149  176  O     76  0.40  2.59  
150  177  C     76  0.40  2.59  
151  178  O     77  0.53  2.42  
152  179  CB    75  0.44  2.66  
153  179  SG    74  0.42  2.98  
154  182  N     77  0.53  2.42  
155  188  SG    78  0.43  2.90  
156  189  N     78  0.43  2.90  
157  190  O     79  0.47  2.63  
158  195  CD1   80  0.58  2.92  
159  195  CD1   81  0.41  3.08  
160  195  NE1   82  0.56  2.73  
161  195  O     83  0.52  2.43  
162  196  CB    79  0.47  2.63  
163  197  CG    84  0.40  3.09  
164  199  CD2   80  0.58  2.92  
165  199  CG    82  0.56  2.73  
166  199  CG    81  0.41  3.08  
167  199  N     83  0.52  2.43  
168  203  SG    84  0.40  3.09  
169  212  CD1   85  0.56  2.93  
170  213  O     86  0.50  2.30  
171  216  CD2   85  0.56  2.93  
172  217  OG    86  0.50  2.30  
173  224  OD1   87  0.50  2.44  
174  224  N     87  0.50  2.44  
175  229  CD1   88  0.69  2.80  
176  229  NE1   89  0.51  2.78  
177  229  O     90  0.41  2.53  
178  229  O     91  0.40  2.58  
179  230  O     92  0.42  2.33  
180  230  C     91  0.40  2.58  
181  233  CD2   88  0.69  2.80  
182  233  CG    89  0.51  2.78  
183  233  N     90  0.41  2.53  
184  234  OG    92  0.42  2.33  
185  235  O     93  0.42  2.58  
186  236  C     93  0.42  2.58  
187  241  OD1   94  0.49  2.46  
188  241  N     94  0.49  2.46  
189  241  O     95  0.45  2.74  
190  241  O     96  0.42  2.68  
191  242  O     97  0.43  2.51  
192  244  O     98  0.41  2.59  
193  245  C     98  0.41  2.59  
194  246  O     99  0.52  2.42  
195  246  CD1  100  0.48  3.01  
196  246  CE3  101  0.46  2.83  
197  247  N    101  0.46  2.83  
198  247  SG    95  0.45  2.74  
199  247  CB    96  0.42  2.68  
200  248  NE    97  0.43  2.51  
201  250  N     99  0.52  2.42  
202  250  CD2  100  0.48  3.01  
203  259  O    102  0.44  2.13  
204  259  O    103  0.44  2.65  
205  261  O    104  0.42  2.56  
206  262  C    104  0.42  2.56  
207  263  CD1  105  0.70  2.80  
208  263  CD1  106  0.46  3.04  
209  263  NE1  107  0.54  2.76  
210  263  NE1  108  0.47  2.62  
211  263  O    109  0.49  2.41  
212  263  CE3  110  0.46  2.82  
213  264  N    110  0.46  2.82  
214  265  HD2  102  0.44  2.13  
215  265  CD   103  0.44  2.65  
216  266  OD1  111  0.44  2.49  
217  266  N    111  0.44  2.49  
218  267  CD2  105  0.70  2.80  
219  267  CG   107  0.54  2.76  
220  267  CG   106  0.46  3.04  
221  267  N    109  0.49  2.41  
222  267  ND1  108  0.47  2.62  
223  274  SG   112  0.48  3.02  
224  274  SG   113  0.42  2.54  
225  276  O    114  0.49  2.60  
226  276  O    115  0.43  2.13  
227  280  O    116  0.53  2.42  
228  280  O    117  0.40  2.17  
229  280  NE1  118  0.50  2.59  
230  280  NE1  119  0.43  2.87  
231  280  CD1  120  0.46  3.04  
232  282  CD   114  0.49  2.60  
233  282  HG2  121  0.43  2.54  
234  282  HD2  115  0.43  2.13  
235  284  N    116  0.53  2.42  
236  284  ND1  118  0.50  2.59  
237  284  CD2  120  0.46  3.04  
238  284  CE1  119  0.43  2.87  
239  284  HB2  117  0.40  2.17  
240  285  CB   112  0.48  3.02  
241  285  HB2  113  0.42  2.54  
242  288  SG   121  0.43  2.54  
243  292  OD1  122  0.49  2.44  
244  292  N    122  0.49  2.44  
245  297  CE3  123  0.52  2.78  
246  297  NE1  124  0.52  2.78  
247  297  CD1  125  0.48  3.02  
248  297  CD1  126  0.45  3.05  
249  298  N    123  0.52  2.78  
250  298  O    127  0.45  2.34  
251  301  CG   124  0.52  2.78  
252  301  CG   126  0.45  3.05  
253  301  CD2  125  0.48  3.02  
254  302  O    127  0.45  2.34  
255  307  O    128  0.41  2.38  
256  308  O    128  0.41  2.38  
257  314  O    129  0.53  2.42  
258  314  O    130  0.41  2.57  
259  314  CE3  131  0.52  2.77  
260  314  CD1  132  0.45  3.04  
261  314  NE1  133  0.40  2.90  
262  315  N    131  0.52  2.77  
263  315  C    130  0.41  2.57  
264  316  HG2  134  0.41  2.45  
265  318  N    129  0.53  2.42  
266  318  CD2  132  0.45  3.04  
267  318  CG   133  0.40  2.90  
268  322  CB   134  0.41  2.45  
269  331  CD1  135  0.57  2.92  
270  331  O    136  0.49  2.40  
271  335  CD2  135  0.57  2.92  
272  335  N    136  0.49  2.40  
#
loop_
_pdbx_vrpt_model_list.PDB_model_num
_pdbx_vrpt_model_list.nmrclust_cluster_id
_pdbx_vrpt_model_list.nmrclust_representative
 1  1        True  
 2  1        ?     
 3  3        ?     
 4  1        ?     
 5  1        ?     
 6  2        ?     
 7  4        ?     
 8  1        ?     
 9  3        ?     
10  1        ?     
11  3        True  
12  2        ?     
13  2        ?     
14  1        ?     
15  2        True  
16  4        True  
17  1        ?     
18  outlier  ?     
19  2        ?     
20  1        ?     
#
_pdbx_vrpt_cyrange_domain.ordinal             1
_pdbx_vrpt_cyrange_domain.domain              1
_pdbx_vrpt_cyrange_domain.number_of_gaps      0
_pdbx_vrpt_cyrange_domain.number_of_residues  15
_pdbx_vrpt_cyrange_domain.percentage_of_core  100.00
_pdbx_vrpt_cyrange_domain.rmsd                0.280
_pdbx_vrpt_cyrange_domain.medoid_model        4
_pdbx_vrpt_cyrange_domain.medoid_rmsd         0.350
_pdbx_vrpt_cyrange_domain.residue_string      A:2-A:16
#
_pdbx_vrpt_chemical_shift_list.ordinal                           1
_pdbx_vrpt_chemical_shift_list.file_id                           4
_pdbx_vrpt_chemical_shift_list.file_name                         working_cs.cif
_pdbx_vrpt_chemical_shift_list.block_name                        assigned_chem_shift_list_1
_pdbx_vrpt_chemical_shift_list.list_id                           1
_pdbx_vrpt_chemical_shift_list.type                              full
_pdbx_vrpt_chemical_shift_list.number_of_errors_while_mapping    0
_pdbx_vrpt_chemical_shift_list.number_of_warnings_while_mapping  0
_pdbx_vrpt_chemical_shift_list.number_of_mapped_shifts           122
_pdbx_vrpt_chemical_shift_list.number_of_parsed_shifts           122
_pdbx_vrpt_chemical_shift_list.total_number_of_shifts            122
_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  CYS   1  0.053  
 2  A  CYS   2  0.043  
 3  A  ASN   3  0.029  
 4  A  CYS   4  0.031  
 5  A  SER   5  0.031  
 6  A  SER   6  0.021  
 7  A  LYS   7  0.017  
 8  A  TRP   8  0.016  
 9  A  CYS   9  0.021  
10  A  ARG  10  0.023  
11  A  ASP  11  0.030  
12  A  HIS  12  0.037  
13  A  SER  13  0.047  
14  A  ARG  14  0.054  
15  A  CYS  15  0.061  
16  A  CYS  16  0.063  
#
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   0  
4  N   0.50  0.00  0.00  15  
#
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  115  69  184  overall    Total  
 2   59  16   75  backbone   Total  
 3   48  42   90  sidechain  Total  
 4    8  11   19  aromatic   Total  
 5   86  10   96  overall    H      
 6   30   0   30  backbone   H      
 7   48   8   56  sidechain  H      
 8    8   2   10  aromatic   H      
 9   14  49   63  overall    C      
10   14  16   30  backbone   C      
11    0  26   26  sidechain  C      
12    0   7    7  aromatic   C      
13   15  10   25  overall    N      
14   15   0   15  backbone   N      
15    0   8    8  sidechain  N      
16    0   2    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  118  74  192  overall    Total  
 2   60  20   80  backbone   Total  
 3   50  43   93  sidechain  Total  
 4    8  11   19  aromatic   Total  
 5   89  11  100  overall    H      
 6   31   1   32  backbone   H      
 7   50   8   58  sidechain  H      
 8    8   2   10  aromatic   H      
 9   14  52   66  overall    C      
10   14  18   32  backbone   C      
11    0  27   27  sidechain  C      
12    0   7    7  aromatic   C      
13   15  11   26  overall    N      
14   15   1   16  backbone   N      
15    0   8    8  sidechain  N      
16    0   2    2  aromatic   N      
#
loop_
_pdbx_vrpt_restraint_summary.ordinal
_pdbx_vrpt_restraint_summary.description
_pdbx_vrpt_restraint_summary.value
 1  "Total distance restraints"                     231  
 2  "Intra-residue (|i-j|=0)"                        97  
 3  "Sequential (|i-j|=1)"                           70  
 4  "Medium range (|i-j|>1 and |i-j|<5)"             45  
 5  "Long range (|i-j|>=5)"                          19  
 6  Inter-chain                                       0  
 7  "Total hydrogen bond restraints"                  0  
 8  "Total disulfide bond restraints"                 0  
 9  "Total dihedral-angle restraints"                 8  
10  "Number of unmapped restraints"                   0  
11  "Number of restraints per residue"             14.1  
12  "Number of long range restraints per residue"   1.1  
#
loop_
_pdbx_vrpt_distance_violation_summary.ordinal
_pdbx_vrpt_distance_violation_summary.restraint_type
_pdbx_vrpt_distance_violation_summary.restraint_sub_type
_pdbx_vrpt_distance_violation_summary.restraints_count
_pdbx_vrpt_distance_violation_summary.percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_count
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_total
_pdbx_vrpt_distance_violation_summary.consistently_violated_percent_type
_pdbx_vrpt_distance_violation_summary.violated_count
_pdbx_vrpt_distance_violation_summary.violated_percent_total
_pdbx_vrpt_distance_violation_summary.violated_percent_type
 1  Intra-residue  all                  97   42.0  0  0.0  0.0  2  0.9  2.1  
 2  Intra-residue  BackboneBackbone     15    6.5  0  0.0  0.0  0  0.0  0.0  
 3  Intra-residue  BackboneSidechain    73   31.6  0  0.0  0.0  2  0.9  2.7  
 4  Intra-residue  SidechainSidechain    9    3.9  0  0.0  0.0  0  0.0  0.0  
 5  Sequential     all                  70   30.3  1  0.4  1.4  1  0.4  1.4  
 6  Sequential     BackboneBackbone     31   13.4  0  0.0  0.0  0  0.0  0.0  
 7  Sequential     BackboneSidechain    35   15.2  1  0.4  2.9  1  0.4  2.9  
 8  Sequential     SidechainSidechain    4    1.7  0  0.0  0.0  0  0.0  0.0  
 9  MediumRange    all                  45   19.5  0  0.0  0.0  0  0.0  0.0  
10  MediumRange    BackboneBackbone     15    6.5  0  0.0  0.0  0  0.0  0.0  
11  MediumRange    BackboneSidechain    18    7.8  0  0.0  0.0  0  0.0  0.0  
12  MediumRange    SidechainSidechain   12    5.2  0  0.0  0.0  0  0.0  0.0  
13  LongRange      all                  19    8.2  0  0.0  0.0  0  0.0  0.0  
14  LongRange      BackboneBackbone      2    0.9  0  0.0  0.0  0  0.0  0.0  
15  LongRange      BackboneSidechain     7    3.0  0  0.0  0.0  0  0.0  0.0  
16  LongRange      SidechainSidechain   10    4.3  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                 231  100.0  1  0.4  0.4  3  1.3  1.3  
24  Total          BackboneBackbone     63   27.3  0  0.0  0.0  0  0.0  0.0  
25  Total          BackboneSidechain   133   57.6  1  0.4  0.8  3  1.3  2.3  
26  Total          SidechainSidechain   35   15.2  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  0.91  0.91  0.91  0.00  
 2   2  0.94  0.94  0.94  0.00  
 3   3  0.93  0.52  0.52  0.41  
 4   4  0.92  0.92  0.92  0.00  
 5   5  0.93  0.93  0.93  0.00  
 6   6  0.93  0.93  0.93  0.00  
 7   7  0.91  0.91  0.91  0.00  
 8   8  0.92  0.53  0.53  0.39  
 9   9  0.94  0.94  0.94  0.00  
10  10  0.91  0.91  0.91  0.00  
11  11  0.93  0.52  0.52  0.41  
12  12  0.93  0.52  0.52  0.41  
13  13  0.93  0.93  0.93  0.00  
14  14  0.92  0.92  0.92  0.00  
15  15  0.93  0.93  0.93  0.00  
16  16  0.92  0.92  0.92  0.00  
17  17  0.93  0.93  0.93  0.00  
18  18  0.92  0.92  0.92  0.00  
19  19  0.91  0.91  0.91  0.00  
20  20  0.94  0.94  0.94  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    1  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         1  
  7   2  intraresidue  0  
  8   2  sequential    1  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         1  
 13   3  intraresidue  1  
 14   3  sequential    1  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         2  
 19   4  intraresidue  0  
 20   4  sequential    1  
 21   4  medium        0  
 22   4  long          0  
 23   4  interchain    0  
 24   4  total         1  
 25   5  intraresidue  0  
 26   5  sequential    1  
 27   5  medium        0  
 28   5  long          0  
 29   5  interchain    0  
 30   5  total         1  
 31   6  intraresidue  0  
 32   6  sequential    1  
 33   6  medium        0  
 34   6  long          0  
 35   6  interchain    0  
 36   6  total         1  
 37   7  intraresidue  0  
 38   7  sequential    1  
 39   7  medium        0  
 40   7  long          0  
 41   7  interchain    0  
 42   7  total         1  
 43   8  intraresidue  1  
 44   8  sequential    1  
 45   8  medium        0  
 46   8  long          0  
 47   8  interchain    0  
 48   8  total         2  
 49   9  intraresidue  0  
 50   9  sequential    1  
 51   9  medium        0  
 52   9  long          0  
 53   9  interchain    0  
 54   9  total         1  
 55  10  intraresidue  0  
 56  10  sequential    1  
 57  10  medium        0  
 58  10  long          0  
 59  10  interchain    0  
 60  10  total         1  
 61  11  intraresidue  1  
 62  11  sequential    1  
 63  11  medium        0  
 64  11  long          0  
 65  11  interchain    0  
 66  11  total         2  
 67  12  intraresidue  1  
 68  12  sequential    1  
 69  12  medium        0  
 70  12  long          0  
 71  12  interchain    0  
 72  12  total         2  
 73  13  intraresidue  0  
 74  13  sequential    1  
 75  13  medium        0  
 76  13  long          0  
 77  13  interchain    0  
 78  13  total         1  
 79  14  intraresidue  0  
 80  14  sequential    1  
 81  14  medium        0  
 82  14  long          0  
 83  14  interchain    0  
 84  14  total         1  
 85  15  intraresidue  0  
 86  15  sequential    1  
 87  15  medium        0  
 88  15  long          0  
 89  15  interchain    0  
 90  15  total         1  
 91  16  intraresidue  0  
 92  16  sequential    1  
 93  16  medium        0  
 94  16  long          0  
 95  16  interchain    0  
 96  16  total         1  
 97  17  intraresidue  0  
 98  17  sequential    1  
 99  17  medium        0  
100  17  long          0  
101  17  interchain    0  
102  17  total         1  
103  18  intraresidue  0  
104  18  sequential    1  
105  18  medium        0  
106  18  long          0  
107  18  interchain    0  
108  18  total         1  
109  19  intraresidue  0  
110  19  sequential    1  
111  19  medium        0  
112  19  long          0  
113  19  interchain    0  
114  19  total         1  
115  20  intraresidue  0  
116  20  sequential    1  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         1  
#
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  1  
  2   1  sequential    0  
  3   1  medium        0  
  4   1  long          0  
  5   1  interchain    0  
  6   1  total         1  
  7   2  intraresidue  0  
  8   2  sequential    0  
  9   2  medium        0  
 10   2  long          0  
 11   2  interchain    0  
 12   2  total         0  
 13   3  intraresidue  1  
 14   3  sequential    0  
 15   3  medium        0  
 16   3  long          0  
 17   3  interchain    0  
 18   3  total         1  
 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    1  
117  20  medium        0  
118  20  long          0  
119  20  interchain    0  
120  20  total         1  
#
loop_
_pdbx_vrpt_residual_distance_violations.ordinal
_pdbx_vrpt_residual_distance_violations.bins
_pdbx_vrpt_residual_distance_violations.max_violation
_pdbx_vrpt_residual_distance_violations.violations_per_model
1  0.1-0.2  0.1   0.2   
2  0.2-0.5  None  None  
3  >0.5     0.9   1.0   
#
loop_
_pdbx_vrpt_most_violated_distance_restraints.ordinal
_pdbx_vrpt_most_violated_distance_restraints.rest_id
_pdbx_vrpt_most_violated_distance_restraints.rlist_id
_pdbx_vrpt_most_violated_distance_restraints.altcode_1
_pdbx_vrpt_most_violated_distance_restraints.chain_1
_pdbx_vrpt_most_violated_distance_restraints.resnum_1
_pdbx_vrpt_most_violated_distance_restraints.resname_1
_pdbx_vrpt_most_violated_distance_restraints.icode_1
_pdbx_vrpt_most_violated_distance_restraints.ent_1
_pdbx_vrpt_most_violated_distance_restraints.said_1
_pdbx_vrpt_most_violated_distance_restraints.seq_1
_pdbx_vrpt_most_violated_distance_restraints.atom_1
_pdbx_vrpt_most_violated_distance_restraints.chain_2
_pdbx_vrpt_most_violated_distance_restraints.altcode_2
_pdbx_vrpt_most_violated_distance_restraints.resnum_2
_pdbx_vrpt_most_violated_distance_restraints.resname_2
_pdbx_vrpt_most_violated_distance_restraints.seq_2
_pdbx_vrpt_most_violated_distance_restraints.said_2
_pdbx_vrpt_most_violated_distance_restraints.ent_2
_pdbx_vrpt_most_violated_distance_restraints.icode_2
_pdbx_vrpt_most_violated_distance_restraints.atom_2
_pdbx_vrpt_most_violated_distance_restraints.violated_models
_pdbx_vrpt_most_violated_distance_restraints.mean_distance_violation
_pdbx_vrpt_most_violated_distance_restraints.median_violation
_pdbx_vrpt_most_violated_distance_restraints.standard_deviation
1  134  1  .  A   9  CYS  ?     1  A   9  HB2  A  .  10  ARG  10  A  1  ?     HA   20  0.93  0.93  0.01  
2   96  1  .  A  16  CYS  ?     1  A  16  H    A  .  16  CYS  16  A  1  ?     HB3   3  0.11  0.11  0.00  
#
loop_
_pdbx_vrpt_violated_distance_restraints.ordinal
_pdbx_vrpt_violated_distance_restraints.rest_id
_pdbx_vrpt_violated_distance_restraints.rlist_id
_pdbx_vrpt_violated_distance_restraints.instance_id_1
_pdbx_vrpt_violated_distance_restraints.instance_id_2
_pdbx_vrpt_violated_distance_restraints.atom_1
_pdbx_vrpt_violated_distance_restraints.atom_2
_pdbx_vrpt_violated_distance_restraints.violation
 1  134  1   26   27  HB2  HA   0.94  
 2  134  1  145  146  HB2  HA   0.94  
 3  134  1  332  333  HB2  HA   0.94  
 4  134  1   43   44  HB2  HA   0.93  
 5  134  1   77   78  HB2  HA   0.93  
 6  134  1   94   95  HB2  HA   0.93  
 7  134  1  179  180  HB2  HA   0.93  
 8  134  1  196  197  HB2  HA   0.93  
 9  134  1  213  214  HB2  HA   0.93  
10  134  1  247  248  HB2  HA   0.93  
11  134  1  281  282  HB2  HA   0.93  
12  134  1   60   61  HB2  HA   0.92  
13  134  1  128  129  HB2  HA   0.92  
14  134  1  230  231  HB2  HA   0.92  
15  134  1  264  265  HB2  HA   0.92  
16  134  1  298  299  HB2  HA   0.92  
17  134  1    9   10  HB2  HA   0.91  
18  134  1  111  112  HB2  HA   0.91  
19  134  1  162  163  HB2  HA   0.91  
20  134  1  315  316  HB2  HA   0.91  
21   81  1  133  133  HA   HD2  0.14  
22   81  1  133  133  HA   HD3  0.14  
23   96  1   50   50  H    HB3  0.11  
24   96  1  186  186  H    HB3  0.11  
25   96  1  203  203  H    HB3  0.11  
#
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    5   62.5  0  0.0  0.0  0  0.0  0.0  
2  CHI1   3   37.5  0  0.0  0.0  0  0.0  0.0  
3  Total  8  100.0  0  0.0  0.0  0  0.0  0.0  
#
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  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_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  CHI1   0  
 3   1  Total  0  
 4   2  PHI    0  
 5   2  CHI1   0  
 6   2  Total  0  
 7   3  PHI    0  
 8   3  CHI1   0  
 9   3  Total  0  
10   4  PHI    0  
11   4  CHI1   0  
12   4  Total  0  
13   5  PHI    0  
14   5  CHI1   0  
15   5  Total  0  
16   6  PHI    0  
17   6  CHI1   0  
18   6  Total  0  
19   7  PHI    0  
20   7  CHI1   0  
21   7  Total  0  
22   8  PHI    0  
23   8  CHI1   0  
24   8  Total  0  
25   9  PHI    0  
26   9  CHI1   0  
27   9  Total  0  
28  10  PHI    0  
29  10  CHI1   0  
30  10  Total  0  
31  11  PHI    0  
32  11  CHI1   0  
33  11  Total  0  
34  12  PHI    0  
35  12  CHI1   0  
36  12  Total  0  
37  13  PHI    0  
38  13  CHI1   0  
39  13  Total  0  
40  14  PHI    0  
41  14  CHI1   0  
42  14  Total  0  
43  15  PHI    0  
44  15  CHI1   0  
45  15  Total  0  
46  16  PHI    0  
47  16  CHI1   0  
48  16  Total  0  
49  17  PHI    0  
50  17  CHI1   0  
51  17  Total  0  
52  18  PHI    0  
53  18  CHI1   0  
54  18  Total  0  
55  19  PHI    0  
56  19  CHI1   0  
57  19  Total  0  
58  20  PHI    0  
59  20  CHI1   0  
60  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    0  
 2   1  CHI1   0  
 3   1  Total  0  
 4   2  PHI    0  
 5   2  CHI1   0  
 6   2  Total  0  
 7   3  PHI    0  
 8   3  CHI1   0  
 9   3  Total  0  
10   4  PHI    0  
11   4  CHI1   0  
12   4  Total  0  
13   5  PHI    0  
14   5  CHI1   0  
15   5  Total  0  
16   6  PHI    0  
17   6  CHI1   0  
18   6  Total  0  
19   7  PHI    0  
20   7  CHI1   0  
21   7  Total  0  
22   8  PHI    0  
23   8  CHI1   0  
24   8  Total  0  
25   9  PHI    0  
26   9  CHI1   0  
27   9  Total  0  
28  10  PHI    0  
29  10  CHI1   0  
30  10  Total  0  
31  11  PHI    0  
32  11  CHI1   0  
33  11  Total  0  
34  12  PHI    0  
35  12  CHI1   0  
36  12  Total  0  
37  13  PHI    0  
38  13  CHI1   0  
39  13  Total  0  
40  14  PHI    0  
41  14  CHI1   0  
42  14  Total  0  
43  15  PHI    0  
44  15  CHI1   0  
45  15  Total  0  
46  16  PHI    0  
47  16  CHI1   0  
48  16  Total  0  
49  17  PHI    0  
50  17  CHI1   0  
51  17  Total  0  
52  18  PHI    0  
53  18  CHI1   0  
54  18  Total  0  
55  19  PHI    0  
56  19  CHI1   0  
57  19  Total  0  
58  20  PHI    0  
59  20  CHI1   0  
60  20  Total  0  
#
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  mogul                  unknown                                                               Y  
3  coreclust              2.33                                                                  Y  
4  chemicalshiftanalysis  2.33                                                                  Y  
5  panav                  "Wang et al. (2010)"                                                  Y  
6  rci                    "v_1n_11_5_13_A (Berjanski et al., 2005)"                             Y  
7  restraintsanalysis     v1.2                                                                  Y  
8  percentiles            "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
