data_6BRI

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6BRI
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6BRI
_pdbx_vrpt_summary.PDB_deposition_date         2017-11-30
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2023-10-04
_pdbx_vrpt_summary.report_creation_date        2023-09-26:10:38
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Right Handed Coiled Coil"  
2  non-polymer  "MERCURY (II) ION"  
3  non-polymer  "IODIDE ION"  
4  non-polymer  mercuriomercury  
5  non-polymer  "SODIUM ION"  
6  non-polymer  "SULFATE ION"  
7  non-polymer  "POTASSIUM ION"  
8  non-polymer  GLYCEROL  
9  non-polymer  "MERCURY (II) IODIDE"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A   1  
B   1  
C   1  
D   1  
E   2  
F   3  
G   3  
H   3  
I   4  
J   5  
K   5  
L   2  
M   3  
N   3  
O   3  
P   3  
Q   3  
R   6  
S   7  
T   7  
U   7  
V   7  
W   8  
X   2  
Y   3  
Z   3  
AA  3  
BA  3  
CA  3  
DA  4  
EA  7  
FA  7  
GA  8  
HA  9  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  3.266  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      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
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  34.03  141614     ?     ?  
 2  2  1  66.11    1251  3.22  3.30  
 3  1  2  28.63  138981     ?     ?  
 4  2  2  62.25    1229  3.22  3.30  
 5  1  3  18.41  138945     ?     ?  
 6  2  3  48.53    1228  3.22  3.30  
 7  1  4  64.85  127900     ?     ?  
 8  2  4  62.56    1154  3.22  3.30  
 9  1  5   5.15  130704     ?     ?  
10  2  5  23.28    1191  3.22  3.30  
#
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    9.03  
 4  6  3  A  1  1  A   31.03  
 5  7  4  A  1  1  A   21.98  
 6  8  4  A  1  1  A   21.40  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B   20.79  
10  6  3  B  1  1  B   51.55  
11  7  4  B  1  1  B  100.00  
12  8  4  B  1  1  B  100.00  
13  3  2  C  1  1  C    6.72  
14  4  2  C  1  1  C   31.57  
15  5  3  C  1  1  C   25.39  
16  6  3  C  1  1  C   55.86  
17  7  4  C  1  1  C  100.00  
18  8  4  C  1  1  C  100.00  
19  3  2  D  1  1  D  100.00  
20  4  2  D  1  1  D  100.00  
21  5  3  D  1  1  D   26.05  
22  6  3  D  1  1  D   56.92  
23  7  4  D  1  1  D   64.85  
24  8  4  D  1  1  D   62.56  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.39  0.22  395  536  
2  1  1  B  B  0.40  0.22  365  495  
3  1  1  C  C  0.37  0.22  384  521  
4  1  1  D  D  0.39  0.22  392  532  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.52
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       6.06
_pdbx_vrpt_summary_geometry.clashscore                     8.38
_pdbx_vrpt_summary_geometry.num_H_reduce                   1514
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1536
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.22
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2084
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.39
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 500.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            9.608
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         58.235
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.77(3.24A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7494
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.990
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.276
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.401
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.225
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.802
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.109
_pdbx_vrpt_summary_diffraction.DCC_R                     0.28
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.30
_pdbx_vrpt_summary_diffraction.EDS_R                     0.27
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.27
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.69
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[57.071,57.071,60.577,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.060
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.39% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         97.10
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      785
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.48
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.27
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        28.69
_pdbx_vrpt_summary_diffraction.PDB_R                     0.28
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.30
#
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
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    2  SER  A    2  .  ?        2     ?  
  2  1  1  A    3  ILE  A    3  .  ?        1     ?  
  3  1  1  A    4  ILE  A    4  .  ?        1     ?  
  4  1  1  A    5  ASN  A    5  .  ?        1     ?  
  5  1  1  A    6  GLU  A    6  .  ?        ?     ?  
  6  1  1  A    7  THR  A    7  .  ?        ?     ?  
  7  1  1  A    8  ALA  A    8  .  ?        ?     ?  
  8  1  1  A    9  ASP  A    9  .  ?        ?     ?  
  9  1  1  A   10  ASP  A   10  .  ?        ?     ?  
 10  1  1  A   11  ILE  A   11  .  ?        1     ?  
 11  1  1  A   12  VAL  A   12  .  ?        ?     ?  
 12  1  1  A   13  TYR  A   13  .  ?        ?     ?  
 13  1  1  A   14  ARG  A   14  .  ?        ?     ?  
 14  1  1  A   15  LEU  A   15  .  ?        ?     ?  
 15  1  1  A   16  THR  A   16  .  ?        ?     ?  
 16  1  1  A   17  VAL  A   17  .  ?        2     ?  
 17  1  1  A   18  ILE  A   18  .  ?        ?     ?  
 18  1  1  A   19  ILE  A   19  .  ?        ?     ?  
 19  1  1  A   20  ASP  A   20  .  ?        1     ?  
 20  1  1  A   21  ASP  A   21  .  ?        1     ?  
 21  1  1  A   22  ARG  A   22  .  ?        ?     ?  
 22  1  1  A   23  TYR  A   23  .  ?        ?     ?  
 23  1  1  A   24  GLU  A   24  .  ?        ?     ?  
 24  1  1  A   25  SER  A   25  .  ?        1     ?  
 25  1  1  A   26  LEU  A   26  .  ?        ?     ?  
 26  1  1  A   27  LYS  A   27  .  ?        ?     ?  
 27  1  1  A   28  ASN  A   28  .  ?        ?     ?  
 28  1  1  A   29  LEU  A   29  .  ?        1     ?  
 29  1  1  A   30  ILE  A   30  .  ?        ?     ?  
 30  1  1  A   31  THR  A   31  .  ?        ?     ?  
 31  1  1  A   32  LEU  A   32  .  ?        ?     ?  
 32  1  1  A   33  ARG  A   33  .  ?        2     ?  
 33  1  1  A   34  ALA  A   34  .  ?        ?     ?  
 34  1  1  A   35  ASP  A   35  .  ?        ?     ?  
 35  1  1  A   36  ARG  A   36  .  ?        1     ?  
 36  1  1  A   37  LEU  A   37  .  ?        ?     ?  
 37  1  1  A   38  GLU  A   38  .  ?        2     ?  
 38  1  1  A   39  MET  A   39  .  ?        ?     ?  
 39  1  1  A   40  ILE  A   40  .  ?        1     ?  
 40  1  1  A   41  ILE  A   41  .  ?        ?     ?  
 41  1  1  A   42  ASN  A   42  .  ?        ?     ?  
 42  1  1  A   43  ASP  A   43  .  ?        ?     ?  
 43  1  1  A   44  ASN  A   44  .  ?        ?     ?  
 44  1  1  A   45  VAL  A   45  .  ?        ?     ?  
 45  1  1  A   46  SER  A   46  .  ?        ?     ?  
 46  1  1  A   47  THR  A   47  .  ?        ?     ?  
 47  1  1  A   48  ILE  A   48  .  ?        ?     ?  
 48  1  1  A   49  LEU  A   49  .  ?        ?     ?  
 49  1  1  A   50  ALA  A   50  .  ?        ?     ?  
 50  1  1  A   51  SER  A   51  .  ?        ?     ?  
 51  1  1  A   52  ILE  A   52  .  ?        ?     ?  
 52  1  1  B    4  ILE  B    4  .  ?        ?     ?  
 53  1  1  B    5  ASN  B    5  .  ?        ?     ?  
 54  1  1  B    6  GLU  B    6  .  ?        ?     ?  
 55  1  1  B    7  THR  B    7  .  ?        ?     ?  
 56  1  1  B    8  ALA  B    8  .  ?        1     ?  
 57  1  1  B    9  ASP  B    9  .  ?        ?     ?  
 58  1  1  B   10  ASP  B   10  .  ?        ?     ?  
 59  1  1  B   11  ILE  B   11  .  ?        ?     ?  
 60  1  1  B   12  VAL  B   12  .  ?        ?     ?  
 61  1  1  B   13  TYR  B   13  .  ?        ?     ?  
 62  1  1  B   14  ARG  B   14  .  ?        ?     ?  
 63  1  1  B   15  LEU  B   15  .  ?        ?     ?  
 64  1  1  B   16  THR  B   16  .  ?        ?     ?  
 65  1  1  B   17  VAL  B   17  .  ?        ?     ?  
 66  1  1  B   18  ILE  B   18  .  ?        1     ?  
 67  1  1  B   19  ILE  B   19  .  ?        ?     ?  
 68  1  1  B   20  ASP  B   20  .  ?        ?     ?  
 69  1  1  B   21  ASP  B   21  .  ?        ?     ?  
 70  1  1  B   22  ARG  B   22  .  ?        ?     ?  
 71  1  1  B   23  TYR  B   23  .  ?        2     ?  
 72  1  1  B   24  GLU  B   24  .  ?        ?     ?  
 73  1  1  B   25  SER  B   25  .  ?        1     ?  
 74  1  1  B   26  LEU  B   26  .  ?        ?     ?  
 75  1  1  B   27  LYS  B   27  .  ?        1     ?  
 76  1  1  B   28  ASN  B   28  .  ?        ?     ?  
 77  1  1  B   29  LEU  B   29  .  ?        ?     ?  
 78  1  1  B   30  ILE  B   30  .  ?        ?     ?  
 79  1  1  B   31  THR  B   31  .  ?        1     ?  
 80  1  1  B   32  LEU  B   32  .  ?        ?     ?  
 81  1  1  B   33  ARG  B   33  .  ?        ?     ?  
 82  1  1  B   34  ALA  B   34  .  ?        ?     ?  
 83  1  1  B   35  ASP  B   35  .  ?        ?     ?  
 84  1  1  B   36  ARG  B   36  .  ?        ?     ?  
 85  1  1  B   37  LEU  B   37  .  ?        ?     ?  
 86  1  1  B   38  GLU  B   38  .  ?        ?     ?  
 87  1  1  B   39  MET  B   39  .  ?        ?     ?  
 88  1  1  B   40  ILE  B   40  .  ?        1     ?  
 89  1  1  B   41  ILE  B   41  .  ?        ?     ?  
 90  1  1  B   42  ASN  B   42  .  ?        ?     ?  
 91  1  1  B   43  ASP  B   43  .  ?        ?     ?  
 92  1  1  B   44  ASN  B   44  .  ?        1     ?  
 93  1  1  B   45  VAL  B   45  .  ?        1     ?  
 94  1  1  B   46  SER  B   46  .  ?        ?     ?  
 95  1  1  B   47  THR  B   47  .  ?        ?     ?  
 96  1  1  B   48  ILE  B   48  .  ?        ?     ?  
 97  1  1  B   49  LEU  B   49  .  ?        1     ?  
 98  1  1  B   50  ALA  B   50  .  ?        ?     ?  
 99  1  1  B   51  SER  B   51  .  ?        ?     ?  
100  1  1  B   52  ILE  B   52  .  ?        ?     ?  
101  1  1  C    4  ILE  C    4  .  ?        ?     ?  
102  1  1  C    5  ASN  C    5  .  ?        ?     ?  
103  1  1  C    6  GLU  C    6  .  ?        ?     ?  
104  1  1  C    7  THR  C    7  .  ?        ?     ?  
105  1  1  C    8  ALA  C    8  .  ?        ?     ?  
106  1  1  C    9  ASP  C    9  .  ?        ?     ?  
107  1  1  C   10  ASP  C   10  .  ?        2     ?  
108  1  1  C   11  ILE  C   11  .  ?        ?     ?  
109  1  1  C   12  VAL  C   12  .  ?        ?     ?  
110  1  1  C   13  TYR  C   13  .  ?        1     ?  
111  1  1  C   14  ARG  C   14  .  ?        2     ?  
112  1  1  C   15  LEU  C   15  .  ?        ?     ?  
113  1  1  C   16  THR  C   16  .  ?        2     ?  
114  1  1  C   17  VAL  C   17  .  ?        ?     ?  
115  1  1  C   18  ILE  C   18  .  ?        ?     ?  
116  1  1  C   19  ILE  C   19  .  ?        ?     ?  
117  1  1  C   20  ASP  C   20  .  ?        ?     ?  
118  1  1  C   21  ASP  C   21  .  ?        ?     ?  
119  1  1  C   22  ARG  C   22  .  ?        ?     ?  
120  1  1  C   23  TYR  C   23  .  ?        ?     ?  
121  1  1  C   24  GLU  C   24  .  ?        ?     ?  
122  1  1  C   25  SER  C   25  .  ?        ?     ?  
123  1  1  C   26  LEU  C   26  .  ?        ?     ?  
124  1  1  C   27  LYS  C   27  .  ?        ?     ?  
125  1  1  C   28  ASN  C   28  .  ?        ?     ?  
126  1  1  C   29  LEU  C   29  .  ?        ?     ?  
127  1  1  C   30  ILE  C   30  .  ?        ?     ?  
128  1  1  C   31  THR  C   31  .  ?        ?     ?  
129  1  1  C   32  LEU  C   32  .  ?        ?     ?  
130  1  1  C   33  ARG  C   33  .  ?        ?     ?  
131  1  1  C   34  ALA  C   34  .  ?        ?     ?  
132  1  1  C   35  ASP  C   35  .  ?        ?     ?  
133  1  1  C   36  ARG  C   36  .  ?        2     ?  
134  1  1  C   37  LEU  C   37  .  ?        ?     ?  
135  1  1  C   38  GLU  C   38  .  ?        ?     ?  
136  1  1  C   39  MET  C   39  .  ?        ?     ?  
137  1  1  C   40  ILE  C   40  .  ?        1     ?  
138  1  1  C   41  ILE  C   41  .  ?        ?     ?  
139  1  1  C   42  ASN  C   42  .  ?        ?     ?  
140  1  1  C   43  ASP  C   43  .  ?        ?     ?  
141  1  1  C   44  ASN  C   44  .  ?        ?     ?  
142  1  1  C   45  VAL  C   45  .  ?        ?     ?  
143  1  1  C   46  SER  C   46  .  ?        ?     ?  
144  1  1  C   47  THR  C   47  .  ?        ?     ?  
145  1  1  C   48  ILE  C   48  .  ?        ?     ?  
146  1  1  C   49  LEU  C   49  .  ?        ?     ?  
147  1  1  C   50  ALA  C   50  .  ?        ?     ?  
148  1  1  C   51  SER  C   51  .  ?        ?     ?  
149  1  1  C   52  ILE  C   52  .  ?        ?     ?  
150  1  1  D    2  SER  D    2  .  ?        ?     ?  
151  1  1  D    3  ILE  D    3  .  ?        ?     ?  
152  1  1  D    4  ILE  D    4  .  ?        1     ?  
153  1  1  D    5  ASN  D    5  .  ?        ?     ?  
154  1  1  D    6  GLU  D    6  .  ?        ?     ?  
155  1  1  D    7  THR  D    7  .  ?        ?     ?  
156  1  1  D    8  ALA  D    8  .  ?        ?     ?  
157  1  1  D    9  ASP  D    9  .  ?        ?     ?  
158  1  1  D   10  ASP  D   10  .  ?        ?     ?  
159  1  1  D   11  ILE  D   11  .  ?        1     ?  
160  1  1  D   12  VAL  D   12  .  ?        ?     ?  
161  1  1  D   13  TYR  D   13  .  ?        1     ?  
162  1  1  D   14  ARG  D   14  .  ?        1     ?  
163  1  1  D   15  LEU  D   15  .  ?        ?     ?  
164  1  1  D   16  THR  D   16  .  ?        ?     ?  
165  1  1  D   17  VAL  D   17  .  ?        1     ?  
166  1  1  D   18  ILE  D   18  .  ?        1     ?  
167  1  1  D   19  ILE  D   19  .  ?        ?     ?  
168  1  1  D   20  ASP  D   20  .  ?        ?     ?  
169  1  1  D   21  ASP  D   21  .  ?        ?     ?  
170  1  1  D   22  ARG  D   22  .  ?        ?     ?  
171  1  1  D   23  TYR  D   23  .  ?        ?     ?  
172  1  1  D   24  GLU  D   24  .  ?        ?     ?  
173  1  1  D   25  SER  D   25  .  ?        ?     ?  
174  1  1  D   26  LEU  D   26  .  ?        ?     ?  
175  1  1  D   27  LYS  D   27  .  ?        ?     ?  
176  1  1  D   28  ASN  D   28  .  ?        ?     ?  
177  1  1  D   29  LEU  D   29  .  ?        ?     ?  
178  1  1  D   30  ILE  D   30  .  ?        ?     ?  
179  1  1  D   31  THR  D   31  .  ?        ?     ?  
180  1  1  D   32  LEU  D   32  .  ?        ?     ?  
181  1  1  D   33  ARG  D   33  .  ?        ?     ?  
182  1  1  D   34  ALA  D   34  .  ?        ?     ?  
183  1  1  D   35  ASP  D   35  .  ?        ?     ?  
184  1  1  D   36  ARG  D   36  .  ?        ?     ?  
185  1  1  D   37  LEU  D   37  .  ?        ?     ?  
186  1  1  D   38  GLU  D   38  .  ?        1     ?  
187  1  1  D   39  MET  D   39  .  ?        ?     ?  
188  1  1  D   40  ILE  D   40  .  ?        ?     ?  
189  1  1  D   41  ILE  D   41  .  ?        ?     ?  
190  1  1  D   42  ASN  D   42  .  ?        ?     ?  
191  1  1  D   43  ASP  D   43  .  ?        ?     ?  
192  1  1  D   44  ASN  D   44  .  ?        ?     ?  
193  1  1  D   45  VAL  D   45  .  ?        ?     ?  
194  1  1  D   46  SER  D   46  .  ?        ?     ?  
195  1  1  D   47  THR  D   47  .  ?        ?     ?  
196  1  1  D   48  ILE  D   48  .  ?        ?     ?  
197  1  1  D   49  LEU  D   49  .  ?        ?     ?  
198  1  1  D   50  ALA  D   50  .  ?        ?     ?  
199  1  1  D   51  SER  D   51  .  ?        ?     ?  
200  1  1  D   52  ILE  D   52  .  ?        ?     ?  
201  1  2  E    .  HG   A  101  .  ?        ?     ?  
202  1  3  F    .  IOD  A  102  .  ?        1     ?  
203  1  3  G    .  IOD  A  103  .  ?        2     ?  
204  1  3  H    .  IOD  A  104  .  ?        1     ?  
205  1  4  I    .  HGN  A  105  A  ?        ?     ?  
206  1  4  I    .  HGN  A  105  B  ?        ?     ?  
207  1  5  J    .  NA   A  106  .  ?        ?     ?  
208  1  5  K    .  NA   A  107  .  ?        ?     ?  
209  1  2  L    .  HG   B  101  .  ?        ?     ?  
210  1  3  M    .  IOD  B  102  .  ?        1     ?  
211  1  3  N    .  IOD  B  103  .  ?        ?     ?  
212  1  3  O    .  IOD  B  104  .  ?        ?     ?  
213  1  3  P    .  IOD  B  105  .  ?        ?     ?  
214  1  3  Q    .  IOD  B  106  .  ?        ?     ?  
215  1  6  R    .  SO4  B  107  .  ?        ?     ?  
216  1  7  S    .  K    B  108  .  ?        ?     ?  
217  1  7  T    .  K    B  109  .  ?        ?     ?  
218  1  7  U    .  K    B  110  .  ?        ?     ?  
219  1  7  V    .  K    C  101  .  ?        ?     ?  
220  1  8  W    .  GOL  C  102  .  ?        ?     2  
221  1  2  X    .  HG   D  101  .  ?        ?     ?  
222  1  3  Y    .  IOD  D  102  .  ?        1     ?  
223  1  3  Z    .  IOD  D  103  .  ?        ?     ?  
224  1  3  AA   .  IOD  D  104  .  ?        ?     ?  
225  1  3  BA   .  IOD  D  105  .  ?        ?     ?  
226  1  3  CA   .  IOD  D  106  .  ?        ?     ?  
227  1  4  DA   .  HGN  D  107  A  ?        ?     ?  
228  1  4  DA   .  HGN  D  107  B  ?        ?     ?  
229  1  7  EA   .  K    D  108  .  ?        ?     ?  
230  1  7  FA   .  K    D  109  .  ?        ?     ?  
231  1  8  GA   .  GOL  D  110  .  ?        ?     4  
232  1  9  HA   .  HGI  D  111  A  ?        ?     ?  
233  1  9  HA   .  HGI  D  111  B  ?        ?     ?  
#
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.OWAB
_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.average_occupancy
  1    1  t             ?       ?  ?           4   31.670     6  0.11     8  0.13  molprobity  1.000  
  2    2  tp       -111.2   -36.7  Favored    11   31.850     8  0.20    11  0.37  molprobity  1.000  
  3    3  tt        -93.0   -21.2  Favored    11   37.470     8  0.25    11  0.36  molprobity  1.000  
  4    4  t30       -73.2   -24.9  Favored     6   48.870     8  0.22    11  0.27  molprobity  1.000  
  5    5  mt-10     -82.6   -29.1  Favored     6   41.320     9  0.21    12  0.30  molprobity  1.000  
  6    6  OUTLIER   -81.5   -25.7  Favored     7   45.860     7  0.17    10  0.59  molprobity  1.000  
  7    7  ?         -73.0   -41.3  Favored     5   37.910     5  0.24     7  0.26  molprobity  1.000  
  8    8  m-20      -71.3   -20.0  Favored     4   45.260     8  0.16    11  0.36  molprobity  1.000  
  9    9  t0        -72.7   -57.7  Favored     4   36.960     8  0.20    11  0.29  molprobity  1.000  
 10   10  pt        -64.8   -34.8  Favored    11   36.260     8  0.19    11  0.35  molprobity  1.000  
 11   11  t         -64.2   -48.0  Favored     9   29.170     7  0.20    10  0.40  molprobity  1.000  
 12   12  t80       -65.4   -47.2  Favored     9   45.170    13  0.23    18  0.22  molprobity  1.000  
 13   13  mtm180    -59.4   -35.2  Favored    13   42.460    11  0.20    14  0.36  molprobity  1.000  
 14   14  mp        -80.5   -33.9  Favored    11   31.010     8  0.23    11  0.35  molprobity  1.000  
 15   15  m         -57.8   -44.1  Favored     7   32.160     7  0.19    10  0.55  molprobity  1.000  
 16   16  m         -75.3   -30.8  Favored     9   33.820     7  0.20    10  0.33  molprobity  1.000  
 17   17  mt        -65.5   -44.0  Favored    11   31.420     8  0.24    11  0.43  molprobity  1.000  
 18   18  mp        -65.3   -39.8  Favored    11   32.230     8  0.19    11  0.39  molprobity  1.000  
 19   19  m-20      -63.4   -29.7  Favored     4   36.400     8  0.19    11  0.24  molprobity  1.000  
 20   20  t0        -65.1   -51.2  Favored     4   53.660     8  0.19    11  0.27  molprobity  1.000  
 21   21  ?         -67.3   -41.8  Favored     2   33.510     5  0.22     7  0.27  molprobity  1.000  
 22   22  t80       -63.5   -52.7  Favored     9   32.130    13  0.24    18  0.26  molprobity  1.000  
 23   23  OUTLIER   -66.3   -29.0  Favored     6   46.970     9  0.36    12  0.34  molprobity  1.000  
 24   24  t         -68.2   -47.6  Favored     5   39.700     6  0.21     8  0.25  molprobity  1.000  
 25   25  mt        -58.7   -39.9  Favored    11   38.820     8  0.22    11  0.39  molprobity  1.000  
 26   26  tttp      -59.4   -36.0  Favored    13   42.910     9  0.23    11  0.32  molprobity  1.000  
 27   27  m-20      -72.6   -41.5  Favored     6   41.790     8  0.19    11  0.26  molprobity  1.000  
 28   28  OUTLIER   -60.8   -50.2  Favored    11   39.350     8  0.21    11  0.46  molprobity  1.000  
 29   29  mt        -58.9   -49.0  Favored    11   45.560     8  0.19    11  0.33  molprobity  1.000  
 30   30  p         -63.5   -45.2  Favored     7   50.050     7  0.19    10  0.46  molprobity  1.000  
 31   31  tt        -55.7   -60.4  Favored    11   56.750     8  0.29    11  1.03  molprobity  1.000  
 32   32  mmm-85    -66.5   -40.9  Favored    13   54.110    11  0.26    14  0.38  molprobity  1.000  
 33   33  ?         -73.8    -4.0  Favored     5   56.180     5  0.28     7  0.37  molprobity  1.000  
 34   34  m-20      -94.7   -19.0  Favored     4   69.000     8  0.18    11  0.43  molprobity  1.000  
 35   35  OUTLIER   -76.4   -32.6  Favored    13   54.420    11  0.21    14  0.40  molprobity  1.000  
 36   36  mt        -65.9   -19.2  Favored    11   53.190     8  0.24    11  0.49  molprobity  1.000  
 37   37  pm0       -86.8   -26.0  Favored     6   62.980     9  0.20    12  0.47  molprobity  1.000  
 38   38  mtp       -69.6   -24.7  Favored     9   63.020     8  0.24    10  0.26  molprobity  1.000  
 39   39  mt       -100.4    13.1  Favored    11   56.140     8  0.22    11  0.52  molprobity  1.000  
 40   40  mt       -122.6   -57.4  Favored    11   50.050     8  0.19    11  0.49  molprobity  1.000  
 41   41  ?         -61.2   -31.8  Favored     2   93.330     5  0.20     7  0.15  molprobity  1.000  
 42   42  m-20      -85.6   -17.3  Favored     4   84.620     8  0.21    11  0.44  molprobity  1.000  
 43   43  m-20      -94.5   -31.9  Favored     6   72.440     8  0.31    11  0.36  molprobity  1.000  
 44   44  t         -62.2   -33.9  Favored     9   67.990     7  0.24    10  0.34  molprobity  1.000  
 45   45  m         -62.4   -26.1  Favored     5   85.800     6  0.21     8  0.36  molprobity  1.000  
 46   46  p         -74.0   -41.8  Favored     7   91.330     7  0.18    10  0.54  molprobity  1.000  
 47   47  ?         -68.8   -25.5  Favored     2   79.900     5  0.20     7  0.29  molprobity  1.000  
 48   48  mt        -77.1   -27.9  Favored    11   71.480     8  0.21    11  0.34  molprobity  1.000  
 49   49  ?         -78.6   -45.0  Favored     5   80.320     5  0.26     7  0.21  molprobity  1.000  
 50   50  p         -85.4   -13.2  Favored     5   76.700     6  0.29     8  0.40  molprobity  1.000  
 51   51  ?             ?       ?  ?           2   71.770     5  0.14     4  0.37  molprobity  1.000  
 52   52  ?             ?       ?  ?           1   77.950     5  0.22     7  0.58  molprobity  1.000  
 53   53  m120       56.8  -145.9  Allowed     6   69.400     8  0.37    11  0.68  molprobity  1.000  
 54   54  ?         -98.1   -55.7  Favored     2   66.630     5  0.21     7  0.34  molprobity  1.000  
 55   55  m        -117.4   138.0  Favored     7   65.290     7  0.27    10  0.47  molprobity  1.000  
 56   56  ?        -117.5    66.0  Allowed     5   49.850     5  0.33     7  0.73  molprobity  1.000  
 57   57  t0        -71.1    -6.3  Favored     4   58.000     8  0.19    11  0.46  molprobity  1.000  
 58   58  ?         -61.1   -25.9  Favored     2   66.990     5  0.21     7  0.11  molprobity  1.000  
 59   59  ?         -56.4   -56.7  Favored     2   61.640     5  0.22     7  0.38  molprobity  1.000  
 60   60  t         -62.8   -41.0  Favored     9   56.910     7  0.16    10  0.29  molprobity  1.000  
 61   61  OUTLIER   -60.2   -63.5  Allowed     9   78.310    13  0.25    18  0.44  molprobity  1.000  
 62   62  ptp180    -70.0   -13.3  Favored    13   60.260    11  0.18    14  0.40  molprobity  1.000  
 63   63  ?         -85.4   -39.6  Favored     2   62.800     5  0.16     7  0.22  molprobity  1.000  
 64   64  m         -58.5   -31.1  Favored     7   52.690     7  0.21    10  0.37  molprobity  1.000  
 65   65  t         -57.6   -34.3  Favored     9   53.540     7  0.18    10  0.35  molprobity  1.000  
 66   66  mm        -82.5   -49.1  Favored    11   43.580     8  0.21    11  0.29  molprobity  1.000  
 67   67  mp        -58.9   -41.7  Favored    11   43.250     8  0.18    11  0.31  molprobity  1.000  
 68   68  m-20      -70.1   -40.0  Favored     4   55.050     8  0.18    11  0.35  molprobity  1.000  
 69   69  ?         -63.7   -45.9  Favored     2   45.740     5  0.22     7  0.32  molprobity  1.000  
 70   70  mmt-85    -68.5   -35.3  Favored    13   36.800    11  0.18    14  0.33  molprobity  1.000  
 71   71  t80       -68.7   -49.4  Favored     9   43.130    13  0.23    18  0.20  molprobity  1.000  
 72   72  mm-40     -58.9   -35.1  Favored     6   39.560     9  0.29    12  0.36  molprobity  1.000  
 73   73  m         -65.7   -46.1  Favored     5   35.810     6  0.21     8  0.29  molprobity  1.000  
 74   74  mt        -68.5   -29.6  Favored    11   33.280     8  0.20    11  0.27  molprobity  1.000  
 75   75  tttm      -63.8   -46.0  Favored    13   37.350     9  0.24    11  0.27  molprobity  1.000  
 76   76  m-20      -66.9   -32.6  Favored     6   48.990     8  0.25    11  0.25  molprobity  1.000  
 77   77  OUTLIER   -66.9   -49.5  Favored    11   36.890     8  0.29    11  0.59  molprobity  1.000  
 78   78  mt        -65.2   -42.7  Favored    11   32.620     8  0.18    11  0.37  molprobity  1.000  
 79   79  p         -63.3   -31.3  Favored     7   47.590     7  0.19    10  0.44  molprobity  1.000  
 80   80  tt        -68.1   -56.2  Favored    11   38.630     8  0.28    11  0.90  molprobity  1.000  
 81   81  mmm180    -64.7   -40.0  Favored    13   34.890    11  0.19    14  0.33  molprobity  1.000  
 82   82  ?         -61.9   -31.6  Favored     5   42.350     5  0.23     7  0.29  molprobity  1.000  
 83   83  m-20      -77.2   -29.8  Favored     4   42.310     8  0.19    11  0.25  molprobity  1.000  
 84   84  tpp85     -63.1   -56.8  Favored    13   49.920    11  0.17    14  0.34  molprobity  1.000  
 85   85  mp        -65.9    -8.5  Favored    11   28.740     8  0.25    11  0.56  molprobity  1.000  
 86   86  ?         -80.2   -46.2  Favored     2   34.900     5  0.22     7  0.26  molprobity  1.000  
 87   87  mmt       -61.5   -45.7  Favored     9   36.540     8  0.23    10  0.38  molprobity  1.000  
 88   88  mt        -65.2   -24.1  Favored    11   20.530     8  0.23    11  0.52  molprobity  1.000  
 89   89  ?         -72.7   -31.1  Favored     2   37.390     5  0.22     7  0.26  molprobity  1.000  
 90   90  m-80      -89.2   -46.0  Favored     6   54.730     8  0.23    11  0.33  molprobity  1.000  
 91   91  m-20      -65.1   -41.0  Favored     4   38.150     8  0.18    11  0.33  molprobity  1.000  
 92   92  m-80      -70.0   -43.3  Favored     6   36.590     8  0.22    11  0.25  molprobity  1.000  
 93   93  ?         -61.7   -44.9  Favored     2   41.270     5  0.20     7  0.43  molprobity  1.000  
 94   94  m         -68.4   -26.2  Favored     5   44.050     6  0.22     8  0.33  molprobity  1.000  
 95   95  m         -69.9   -35.9  Favored     7   44.530     7  0.18    10  0.40  molprobity  1.000  
 96   96  mt        -73.6   -33.2  Favored    11   42.440     8  0.22    11  0.30  molprobity  1.000  
 97   97  mt        -65.2   -11.3  Favored    11   59.110     8  0.22    11  0.41  molprobity  1.000  
 98   98  ?         -72.8   -63.2  Allowed     5   74.250     5  0.31     7  0.35  molprobity  1.000  
 99   99  p         -88.7     8.9  Favored     5   77.550     6  0.25     8  0.33  molprobity  1.000  
100  100  ?             ?       ?  ?           2   74.880     5  0.13     4  0.34  molprobity  1.000  
101  101  ?             ?       ?  ?           1   64.600     5  0.16     7  0.33  molprobity  1.000  
102  102  m120     -107.8   -57.0  Favored     6   84.220     8  0.25    11  0.30  molprobity  1.000  
103  103  ?         -80.2    19.8  Allowed     2   91.060     5  0.24     7  0.34  molprobity  1.000  
104  104  ?        -142.6   -45.1  Allowed     2   73.110     5  0.19     7  0.27  molprobity  1.000  
105  105  ?         -86.0    29.9  Allowed     5   67.960     5  0.31     7  0.21  molprobity  1.000  
106  106  t0        -91.5    -1.2  Favored     4   70.860     8  0.16    11  0.40  molprobity  1.000  
107  107  m-20      -64.4   -29.7  Favored     4   56.050     8  0.19    11  0.22  molprobity  1.000  
108  108  pt        -56.8   -30.5  Favored    11   46.360     8  0.23    11  0.30  molprobity  1.000  
109  109  ?         -83.4   -51.9  Favored     2   43.150     5  0.21     7  0.36  molprobity  1.000  
110  110  t80       -66.8   -50.2  Favored     9   51.620    13  0.27    18  0.30  molprobity  1.000  
111  111  mtm180    -63.8   -29.4  Favored    13   48.970    11  0.18    14  0.36  molprobity  1.000  
112  112  mt        -73.1   -35.8  Favored    11   35.710     8  0.23    11  0.36  molprobity  1.000  
113  113  p         -59.8   -37.5  Favored     7   41.590     7  0.21    10  0.46  molprobity  1.000  
114  114  t         -60.5   -35.6  Favored     9   38.360     7  0.18    10  0.39  molprobity  1.000  
115  115  mp        -79.1   -48.6  Favored    11   24.160     8  0.17    11  0.39  molprobity  1.000  
116  116  mt        -65.0   -33.6  Favored    11   25.010     8  0.22    11  0.37  molprobity  1.000  
117  117  m-20      -66.7   -41.9  Favored     4   34.770     8  0.17    11  0.22  molprobity  1.000  
118  118  t0        -62.1   -44.5  Favored     4   35.500     8  0.22    11  0.41  molprobity  1.000  
119  119  mmt-85    -68.5   -35.8  Favored    13   23.180    11  0.20    14  0.38  molprobity  1.000  
120  120  OUTLIER   -66.2   -47.9  Favored     9   36.690    13  0.23    18  0.26  molprobity  1.000  
121  121  OUTLIER   -66.8   -29.5  Favored     6   36.390     9  0.25    12  0.30  molprobity  1.000  
122  122  m         -73.6   -36.7  Favored     5   20.250     6  0.20     8  0.28  molprobity  1.000  
123  123  mt        -66.6   -49.9  Favored    11   17.450     8  0.20    11  0.42  molprobity  1.000  
124  124  ttpm?     -57.6   -42.8  Favored    13   32.740     9  0.29    11  0.30  molprobity  1.000  
125  125  t-20      -69.3   -39.2  Favored     6   33.470     8  0.23    11  0.32  molprobity  1.000  
126  126  tt        -68.5   -42.3  Favored    11   20.890     8  0.24    11  0.25  molprobity  1.000  
127  127  mt        -59.0   -44.3  Favored    11   21.690     8  0.20    11  0.31  molprobity  1.000  
128  128  m         -63.4   -41.6  Favored     7   24.910     7  0.21    10  0.49  molprobity  1.000  
129  129  mt        -66.1   -50.8  Favored    11   23.990     8  0.20    11  0.43  molprobity  1.000  
130  130  mmt85     -67.6   -35.1  Favored    13   26.850    11  0.20    14  0.34  molprobity  1.000  
131  131  ?         -72.2   -39.2  Favored     5   21.510     5  0.23     7  0.36  molprobity  1.000  
132  132  m-20      -64.9   -32.5  Favored     4   24.710     8  0.19    11  0.22  molprobity  1.000  
133  133  ttp85     -65.8   -53.7  Favored    13   37.130    11  0.19    14  0.35  molprobity  1.000  
134  134  mt        -56.6   -33.0  Favored    11   32.620     8  0.20    11  0.35  molprobity  1.000  
135  135  mt-10     -69.3   -29.3  Favored     6   25.790     9  0.26    12  0.28  molprobity  1.000  
136  136  ptt?      -89.3    -7.2  Favored     9   42.140     8  0.24    10  0.60  molprobity  1.000  
137  137  mm       -102.1    12.0  Favored    11   42.740     8  0.24    11  0.82  molprobity  1.000  
138  138  mt       -116.4   -64.2  Allowed    11   38.160     8  0.19    11  0.38  molprobity  1.000  
139  139  m-20      -62.9   -22.6  Favored     6   40.940     8  0.21    11  0.33  molprobity  1.000  
140  140  t0        -79.3   -33.8  Favored     4   61.470     8  0.17    11  0.24  molprobity  1.000  
141  141  m-20      -87.2   -38.1  Favored     6   47.940     8  0.25    11  0.41  molprobity  1.000  
142  142  t         -65.1   -32.6  Favored     9   36.870     7  0.18    10  0.38  molprobity  1.000  
143  143  p         -66.9   -14.1  Favored     5   44.470     6  0.20     8  0.36  molprobity  1.000  
144  144  m         -89.7   -38.7  Favored     7   48.670     7  0.18    10  0.60  molprobity  1.000  
145  145  pp        -71.5   -28.9  Favored    11   36.630     8  0.20    11  0.44  molprobity  1.000  
146  146  mt        -73.4   -31.7  Favored    11   40.870     8  0.20    11  0.23  molprobity  1.000  
147  147  ?         -81.6    35.2  Allowed     5   36.370     5  0.20     7  0.37  molprobity  1.000  
148  148  m        -165.3   -20.9  OUTLIER     5   53.790     6  0.27     8  0.33  molprobity  1.000  
149  149  mt            ?       ?  ?          11   51.090     7  0.17     8  0.39  molprobity  1.000  
150  150  t             ?       ?  ?           4   45.730     6  0.19     8  0.30  molprobity  1.000  
151  151  ?         -63.1   -21.8  Favored     2   42.260     5  0.13     7  0.21  molprobity  1.000  
152  152  mm        -62.2   -60.0  Favored    11   49.740     8  0.20    11  0.31  molprobity  1.000  
153  153  m-80      -62.3   -42.0  Favored     6   46.710     8  0.21    11  0.29  molprobity  1.000  
154  154  mt-10     -70.2   -18.4  Favored     6   40.510     9  0.21    12  0.33  molprobity  1.000  
155  155  m         -87.0   -48.0  Favored     7   38.980     7  0.16    10  0.48  molprobity  1.000  
156  156  ?         -60.8   -29.6  Favored     5   36.940     5  0.25     7  0.28  molprobity  1.000  
157  157  m-20      -70.6   -32.5  Favored     4   41.270     8  0.18    11  0.27  molprobity  1.000  
158  158  OUTLIER   -74.0   -35.6  Favored     4   34.580     8  0.20    11  0.22  molprobity  1.000  
159  159  mt        -64.5   -49.8  Favored    11   29.530     8  0.21    11  0.29  molprobity  1.000  
160  160  t         -58.5   -40.2  Favored     9   28.520     7  0.21    10  0.36  molprobity  1.000  
161  161  t80       -67.0   -57.5  Favored     9   21.380    13  0.20    18  0.20  molprobity  1.000  
162  162  mtp180    -56.4   -44.4  Favored    13   27.530    11  0.20    14  0.34  molprobity  1.000  
163  163  mt        -68.0   -34.0  Favored    11   16.610     8  0.22    11  0.44  molprobity  1.000  
164  164  m         -59.3   -42.9  Favored     7   20.590     7  0.16    10  0.56  molprobity  1.000  
165  165  t         -65.6   -33.4  Favored     9   22.020     7  0.19    10  0.35  molprobity  1.000  
166  166  mm        -73.9   -47.2  Favored    11   21.420     8  0.23    11  0.33  molprobity  1.000  
167  167  mt        -63.8   -41.1  Favored    11   18.750     8  0.20    11  0.31  molprobity  1.000  
168  168  t0        -67.2   -29.4  Favored     4   32.690     8  0.20    11  0.29  molprobity  1.000  
169  169  t0        -68.0   -42.9  Favored     4   38.850     8  0.25    11  0.39  molprobity  1.000  
170  170  mmt180    -71.7   -35.9  Favored    13   28.810    11  0.19    14  0.33  molprobity  1.000  
171  171  t80       -59.1   -48.9  Favored     9   19.110    13  0.29    18  0.22  molprobity  1.000  
172  172  mm-40     -65.2   -37.0  Favored     6   28.200     9  0.22    12  0.31  molprobity  1.000  
173  173  m         -63.9   -45.9  Favored     5   29.980     6  0.19     8  0.29  molprobity  1.000  
174  174  mt        -66.0   -41.2  Favored    11   22.550     8  0.19    11  0.25  molprobity  1.000  
175  175  tttt      -59.8   -48.4  Favored    13   23.570     9  0.25    11  0.31  molprobity  1.000  
176  176  m-80      -70.1   -32.5  Favored     6   26.780     8  0.23    11  0.29  molprobity  1.000  
177  177  tp        -66.5   -49.1  Favored    11   24.320     8  0.23    11  0.27  molprobity  1.000  
178  178  mt        -62.1   -46.5  Favored    11   24.900     8  0.19    11  0.32  molprobity  1.000  
179  179  m         -61.9   -37.1  Favored     7   23.140     7  0.19    10  0.52  molprobity  1.000  
180  180  ?         -69.4   -46.3  Favored     2   40.510     5  0.21     7  0.27  molprobity  1.000  
181  181  ?         -65.8   -40.0  Favored     2   31.580     5  0.21     7  0.28  molprobity  1.000  
182  182  ?         -63.9   -43.3  Favored     5   32.900     5  0.24     7  0.34  molprobity  1.000  
183  183  m-20      -67.9   -29.6  Favored     4   32.250     8  0.18    11  0.28  molprobity  1.000  
184  184  ttm105    -66.4   -37.7  Favored    13   51.000    11  0.22    14  0.42  molprobity  1.000  
185  185  mt        -65.5   -26.7  Favored    11   41.960     8  0.20    11  0.42  molprobity  1.000  
186  186  tt0       -74.2   -35.5  Favored     6   40.210     9  0.24    12  0.25  molprobity  1.000  
187  187  OUTLIER   -63.5   -26.4  Favored     9   62.580     8  0.25    10  0.39  molprobity  1.000  
188  188  ?         -95.1     0.1  Favored     2   50.250     5  0.29     7  0.47  molprobity  1.000  
189  189  mt       -102.7   -45.8  Favored    11   59.460     8  0.12    11  0.30  molprobity  1.000  
190  190  m-20      -70.6   -15.1  Favored     6   62.070     8  0.25    11  0.30  molprobity  1.000  
191  191  ?         -73.0   -28.3  Favored     2   63.760     5  0.20     7  0.22  molprobity  1.000  
192  192  m-20      -83.4   -30.9  Favored     6   59.410     8  0.20    11  0.32  molprobity  1.000  
193  193  t         -67.6   -40.8  Favored     9   67.380     7  0.18    10  0.44  molprobity  1.000  
194  194  t         -71.2   -24.4  Favored     5   75.280     6  0.24     8  0.31  molprobity  1.000  
195  195  m         -89.2   -50.3  Favored     7   77.410     7  0.19    10  0.58  molprobity  1.000  
196  196  tp        -89.6   -18.6  Favored    11   70.050     8  0.22    11  0.44  molprobity  1.000  
197  197  tt        -86.5   -49.4  Favored    11   63.230     8  0.30    11  1.31  molprobity  1.000  
198  198  ?         -74.0   -64.4  Allowed     5   66.270     5  0.27     7  0.28  molprobity  1.000  
199  199  m         -90.5   -37.4  Favored     5   89.000     6  0.26     8  0.54  molprobity  1.000  
200  200  mt            ?       ?  ?          11   70.550     8  0.25     8  0.42  molprobity  1.000  
201  201  ?             ?       ?  ?           ?   95.560     ?     ?     ?     ?  ?           0.570  
202  202  ?             ?       ?  ?           ?   39.820     ?     ?     ?     ?  ?           0.570  
203  203  ?             ?       ?  ?           ?   57.630     ?     ?     ?     ?  ?           0.570  
204  204  ?             ?       ?  ?           ?   65.270     ?     ?     ?     ?  ?           0.570  
205  205  ?             ?       ?  ?           ?   42.900     0     ?     ?     ?  mogul       1.000  
206  206  ?             ?       ?  ?           ?   42.900     0     ?     ?     ?  mogul       1.000  
207  207  ?             ?       ?  ?           ?   25.790     ?     ?     ?     ?  ?           1.000  
208  208  ?             ?       ?  ?           ?   18.680     ?     ?     ?     ?  ?           1.000  
209  209  ?             ?       ?  ?           ?  104.960     ?     ?     ?     ?  ?           0.520  
210  210  ?             ?       ?  ?           ?   32.570     ?     ?     ?     ?  ?           0.400  
211  211  ?             ?       ?  ?           ?   39.670     ?     ?     ?     ?  ?           0.520  
212  212  ?             ?       ?  ?           ?   40.110     ?     ?     ?     ?  ?           0.520  
213  213  ?             ?       ?  ?           ?  101.680     ?     ?     ?     ?  ?           0.520  
214  214  ?             ?       ?  ?           ?  110.150     ?     ?     ?     ?  ?           0.490  
215  215  ?             ?       ?  ?           ?   76.250     4  0.14     6  0.05  mogul       0.870  
216  216  ?             ?       ?  ?           ?   45.090     ?     ?     ?     ?  ?           1.000  
217  217  ?             ?       ?  ?           ?   76.150     ?     ?     ?     ?  ?           1.000  
218  218  ?             ?       ?  ?           ?   58.730     ?     ?     ?     ?  ?           1.000  
219  219  ?             ?       ?  ?           ?   55.790     ?     ?     ?     ?  ?           1.000  
220  220  ?             ?       ?  ?           8   54.520     5  0.35     5  0.30  mogul       1.000  
221  221  ?             ?       ?  ?           ?   57.190     ?     ?     ?     ?  ?           0.560  
222  222  ?             ?       ?  ?           ?   85.140     ?     ?     ?     ?  ?           0.570  
223  223  ?             ?       ?  ?           ?   87.840     ?     ?     ?     ?  ?           0.560  
224  224  ?             ?       ?  ?           ?   22.560     ?     ?     ?     ?  ?           0.560  
225  225  ?             ?       ?  ?           ?   27.190     ?     ?     ?     ?  ?           0.560  
226  226  ?             ?       ?  ?           ?   87.060     ?     ?     ?     ?  ?           0.520  
227  227  ?             ?       ?  ?           ?   80.360     0     ?     ?     ?  mogul       1.000  
228  228  ?             ?       ?  ?           ?   80.360     0     ?     ?     ?  mogul       1.000  
229  229  ?             ?       ?  ?           ?   83.270     ?     ?     ?     ?  ?           1.000  
230  230  ?             ?       ?  ?           ?   50.300     ?     ?     ?     ?  ?           1.000  
231  231  ?             ?       ?  ?           8   46.450     5  0.37     5  0.26  mogul       1.000  
232  232  ?             ?       ?  ?           ?   50.190     2  0.64     ?     ?  mogul       1.000  
233  233  ?             ?       ?  ?           ?   50.190     2  0.66     ?     ?  mogul       1.000  
#
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    1  OG     1  0.49  2.45  
 2    1  HB3    2  0.44  1.99  
 3    2  N      1  0.49  2.45  
 4    3  HG13   3  0.67  2.64  
 5    4  HB3    2  0.44  1.99  
 6   10  HD11   4  0.64  1.80  
 7   16  O      5  0.42  2.50  
 8   16  HA     6  0.40  2.03  
 9   19  HB2    6  0.40  2.03  
10   20  N      5  0.42  2.50  
11   24  OG     7  0.56  2.23  
12   28  O      8  0.43  2.19  
13   32  HH12   9  0.73  1.54  
14   32  HG2    8  0.43  2.19  
15   35  O     10  0.54  2.07  
16   37  OE2   11  0.64  2.29  
17   37  N     11  0.64  2.29  
18   39  HG13  10  0.54  2.07  
19   56  HB3   12  0.49  2.83  
20   66  HG21  13  0.55  1.88  
21   71  OH     7  0.56  2.23  
22   71  O     14  0.44  2.43  
23   73  HA    15  0.49  2.83  
24   75  N     14  0.44  2.43  
25   79  HG22   9  0.73  1.54  
26   88  O     16  0.49  2.13  
27   92  HB2   16  0.49  2.13  
28   93  O     17  0.43  2.18  
29   97  HG    17  0.43  2.18  
30  107  HB3   18  0.49  1.95  
31  107  O     19  0.42  2.45  
32  110  O     20  0.47  2.26  
33  111  HG3   18  0.49  1.95  
34  111  N     19  0.42  2.45  
35  113  HG22  13  0.55  1.88  
36  113  OG1   20  0.47  2.26  
37  133  O     21  0.56  2.05  
38  133  NH1   22  0.56  2.39  
39  137  HG12  21  0.56  2.05  
40  152  HG23  23  0.53  2.78  
41  159  HD13   4  0.64  1.80  
42  161  O     24  0.47  2.14  
43  162  O     25  0.41  2.20  
44  165  HG23  24  0.47  2.14  
45  166  HG12  25  0.41  2.20  
46  186  OE1   22  0.56  2.39  
47  202  I     26  0.48  3.71  
48  203  I     12  0.49  2.83  
49  203  I     26  0.48  3.71  
50  204  I      3  0.67  2.64  
51  210  I     15  0.49  2.83  
52  222  I     23  0.53  2.78  
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  220  O1  C1  C2  O2    17.69  65.05  230  43.25   3.53  1.30  
2  220  O1  C1  C2  C3   137.60  55.20  133  22.04  22.44  0.00  
3  231  O1  C1  C2  O2   128.58  61.33  230  14.87   1.11  0.87  
4  231  O1  C1  C2  C3  -111.08  57.39  133   8.14  14.12  0.00  
5  231  C1  C2  C3  O3  -149.33  54.23  133  33.41  10.71  0.00  
6  231  O2  C2  C3  O3   -29.04  53.93  230  42.97   3.01  2.17  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   6  0.858  0.214   0.110  
  2    2   8  0.940  0.147  -1.039  
  3    3   8  0.953  0.241  -0.189  
  4    4   8  0.881  0.250   0.377  
  5    5   9  0.906  0.231  -0.223  
  6    6   7  0.939  0.193  -0.220  
  7    7   5  0.942  0.199  -0.168  
  8    8   8  0.915  0.271   0.559  
  9    9   8  0.887  0.198  -0.192  
 10   10   8  0.934  0.271   0.082  
 11   11   7  0.974  0.168  -0.740  
 12   12  12  0.892  0.323   0.682  
 13   13  11  0.825  0.283   0.081  
 14   14   8  0.944  0.235  -0.287  
 15   15   7  0.933  0.200  -0.146  
 16   16   7  0.926  0.182  -0.615  
 17   17   8  0.936  0.202  -0.542  
 18   18   8  0.960  0.217  -0.406  
 19   19   8  0.847  0.214  -0.028  
 20   20   8  0.816  0.243   0.271  
 21   21   5  0.924  0.184  -0.701  
 22   22  12  0.901  0.246  -0.033  
 23   23   9  0.877  0.294   0.330  
 24   24   6  0.899  0.211   0.079  
 25   25   8  0.927  0.211  -0.498  
 26   26   9  0.912  0.214  -0.564  
 27   27   8  0.840  0.211  -0.035  
 28   28   8  0.900  0.236  -0.279  
 29   29   8  0.892  0.297   0.317  
 30   30   7  0.830  0.197  -0.178  
 31   31   8  0.818  0.382   1.001  
 32   32  11  0.885  0.335   0.492  
 33   33   5  0.958  0.190  -0.252  
 34   34   8  0.851  0.196  -0.213  
 35   35  11  0.825  0.175  -0.772  
 36   36   8  0.926  0.289   0.186  
 37   37   9  0.867  0.289   0.286  
 38   38   8  0.792  0.273   0.360  
 39   39   8  0.868  0.392   1.176  
 40   40   8  0.906  0.220  -0.379  
 41   41   5  0.818  0.500   3.017  
 42   42   8  0.564  0.423   2.122  
 43   43   8  0.733  0.450   2.489  
 44   44   7  0.830  0.222  -0.258  
 45   45   6  0.888  0.314   1.159  
 46   46   7  0.775  0.382   1.771  
 47   47   5  0.925  0.241  -0.189  
 48   48   8  0.759  0.286   0.160  
 49   49   5  0.758  0.239   0.204  
 50   50   6  0.899  0.187  -0.173  
 51   51   6  0.818  0.319   0.516  
 52   52   5  0.898  0.271   0.082  
 53   53   8  0.902  0.332   1.243  
 54   54   5  0.794  0.348   0.803  
 55   55   7  0.806  0.270   0.591  
 56   56   5  0.859  0.196  -0.196  
 57   57   8  0.887  0.187  -0.306  
 58   58   5  0.931  0.266   0.507  
 59   59   5  0.872  0.241  -0.189  
 60   60   7  0.883  0.298   0.421  
 61   61  12  0.793  0.426   1.638  
 62   62  11  0.831  0.237  -0.282  
 63   63   5  0.882  0.194  -0.647  
 64   64   7  0.910  0.216   0.022  
 65   65   7  0.918  0.300   0.438  
 66   66   8  0.945  0.232  -0.270  
 67   67   8  0.877  0.276   0.127  
 68   68   8  0.800  0.277   0.620  
 69   69   5  0.934  0.165  -0.532  
 70   70  11  0.900  0.312   0.310  
 71   71  12  0.907  0.282   0.301  
 72   72   9  0.929  0.261   0.040  
 73   73   6  0.912  0.215   0.121  
 74   74   8  0.950  0.156  -0.980  
 75   75   9  0.883  0.222  -0.502  
 76   76   8  0.851  0.211  -0.035  
 77   77   8  0.938  0.236  -0.279  
 78   78   8  0.963  0.204  -0.524  
 79   79   7  0.882  0.182  -0.336  
 80   80   8  0.891  0.357   0.782  
 81   81  11  0.921  0.188  -0.669  
 82   82   5  0.954  0.195  -0.206  
 83   83   8  0.894  0.214  -0.028  
 84   84  11  0.886  0.256  -0.132  
 85   85   8  0.969  0.164  -0.910  
 86   86   5  0.919  0.187  -0.608  
 87   87   8  0.892  0.185  -0.457  
 88   88   8  0.952  0.188  -0.668  
 89   89   5  0.894  0.269   0.064  
 90   90   8  0.824  0.367   1.612  
 91   91   8  0.909  0.256   0.404  
 92   92   8  0.940  0.205  -0.098  
 93   93   5  0.906  0.183  -0.606  
 94   94   6  0.933  0.168  -0.373  
 95   95   7  0.927  0.229   0.159  
 96   96   8  0.949  0.221  -0.370  
 97   97   8  0.800  0.324   0.493  
 98   98   5  0.679  0.322   0.976  
 99   99   6  0.800  0.202  -0.016  
100  100   6  0.877  0.257  -0.044  
101  101   5  0.858  0.406   1.303  
102  102   8  0.686  0.388   1.834  
103  103   5  0.684  0.398   1.241  
104  104   5  0.866  0.281   0.707  
105  105   5  0.907  0.239   0.204  
106  106   8  0.870  0.207  -0.100  
107  107   8  0.828  0.182  -0.357  
108  108   8  0.919  0.197  -0.587  
109  109   5  0.895  0.190  -0.544  
110  110  12  0.789  0.262   0.115  
111  111  11  0.921  0.215  -0.456  
112  112   8  0.932  0.164  -0.910  
113  113   7  0.912  0.187  -0.283  
114  114   7  0.950  0.249  -0.017  
115  115   8  0.979  0.222  -0.361  
116  116   8  0.943  0.185  -0.695  
117  117   8  0.945  0.220   0.034  
118  118   8  0.937  0.169  -0.491  
119  119  11  0.970  0.219  -0.424  
120  120  12  0.941  0.223  -0.247  
121  121   9  0.874  0.222  -0.301  
122  122   6  0.915  0.127  -0.803  
123  123   8  0.940  0.225  -0.375  
124  124   9  0.952  0.217  -0.541  
125  125   8  0.893  0.199  -0.162  
126  126   8  0.917  0.240  -0.244  
127  127   8  0.914  0.259  -0.026  
128  128   7  0.901  0.214   0.001  
129  129   8  0.932  0.287   0.168  
130  130  11  0.938  0.249  -0.187  
131  131   5  0.951  0.181  -0.336  
132  132   8  0.918  0.194  -0.234  
133  133  11  0.856  0.282   0.073  
134  134   8  0.946  0.255  -0.112  
135  135   9  0.952  0.152  -0.915  
136  136   8  0.871  0.251   0.156  
137  137   8  0.895  0.293   0.281  
138  138   8  0.941  0.216  -0.415  
139  139   8  0.946  0.204  -0.109  
140  140   8  0.793  0.406   1.948  
141  141   8  0.904  0.240   0.271  
142  142   7  0.926  0.236  -0.133  
143  143   6  0.930  0.202  -0.016  
144  144   7  0.916  0.249   0.370  
145  145   8  0.931  0.196  -0.596  
146  146   8  0.929  0.227  -0.358  
147  147   5  0.904  0.207  -0.094  
148  148   6  0.806  0.292   0.929  
149  149   8  0.839  0.246  -0.144  
150  150   6  0.926  0.236   0.341  
151  151   5  0.944  0.153  -0.985  
152  152   8  0.939  0.232  -0.270  
153  153   8  0.905  0.210  -0.045  
154  154   9  0.904  0.181  -0.661  
155  155   7  0.944  0.189  -0.262  
156  156   5  0.941  0.179  -0.354  
157  157   8  0.928  0.266   0.507  
158  158   8  0.904  0.222   0.055  
159  159   8  0.957  0.157  -0.948  
160  160   7  0.975  0.131  -1.071  
161  161  12  0.928  0.220  -0.275  
162  162  11  0.911  0.176  -0.764  
163  163   8  0.958  0.170  -0.857  
164  164   7  0.963  0.192  -0.231  
165  165   7  0.964  0.166  -0.758  
166  166   8  0.954  0.175  -0.786  
167  167   8  0.961  0.197  -0.587  
168  168   8  0.939  0.193  -0.244  
169  169   8  0.899  0.363   1.505  
170  170  11  0.896  0.278   0.042  
171  171  12  0.959  0.179  -0.656  
172  172   9  0.960  0.167  -0.784  
173  173   6  0.927  0.260   0.593  
174  174   8  0.943  0.250  -0.156  
175  175   9  0.931  0.207  -0.619  
176  176   8  0.939  0.131  -0.880  
177  177   8  0.953  0.186  -0.717  
178  178   8  0.958  0.196  -0.596  
179  179   7  0.957  0.183  -0.326  
180  180   5  0.865  0.215  -0.463  
181  181   5  0.945  0.154  -0.938  
182  182   5  0.959  0.161  -0.522  
183  183   8  0.913  0.157  -0.614  
184  184  11  0.778  0.433   1.266  
185  185   8  0.844  0.255  -0.112  
186  186   9  0.914  0.166  -0.792  
187  187   8  0.766  0.397   1.512  
188  188   5  0.946  0.227  -0.316  
189  189   8  0.919  0.330   0.616  
190  190   8  0.737  0.224   0.102  
191  191   5  0.857  0.261   0.456  
192  192   8  0.819  0.320   1.116  
193  193   7  0.539  0.496   2.188  
194  194   6  0.902  0.282   0.824  
195  195   7  0.841  0.400   1.961  
196  196   8  0.639  0.431   1.529  
197  197   8  0.897  0.294   0.230  
198  198   5  0.870  0.187  -0.280  
199  199   6  0.776  0.346   1.495  
200  200   9  0.838  0.179  -0.750  
201  201   1  0.968  0.111       ?  
202  202   1  0.961  0.077       ?  
203  203   1  0.973  0.047       ?  
204  204   1  0.968  0.058       ?  
205  205   4  0.995  0.116       ?  
206  206   4  0.995  0.116       ?  
207  207   1  0.854  0.381       ?  
208  208   1  0.930  0.145       ?  
209  209   1  0.961  0.051       ?  
210  210   1  0.921  0.132       ?  
211  211   1  0.921  0.062       ?  
212  212   1  0.988  0.052       ?  
213  213   1  0.856  0.129       ?  
214  214   1  0.865  0.444       ?  
215  215   5  0.909  0.170       ?  
216  216   1  0.821  0.139       ?  
217  217   1  0.934  0.405       ?  
218  218   1  0.900  0.241       ?  
219  219   1  0.888  0.301       ?  
220  220   6  0.810  0.262       ?  
221  221   1  0.968  0.035       ?  
222  222   1  0.968  0.094       ?  
223  223   1  0.884  0.198       ?  
224  224   1  0.933  0.070       ?  
225  225   1  0.987  0.053       ?  
226  226   1  0.895  0.259       ?  
227  227   4  0.980  0.101       ?  
228  228   4  0.980  0.101       ?  
229  229   1  0.776  0.771       ?  
230  230   1  0.854  0.212       ?  
231  231   6  0.873  0.245       ?  
232  232   6  0.985  0.080       ?  
233  233   6  0.985  0.080       ?  
#
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        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
