data_1RB4

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1RB4
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1RB4
_pdbx_vrpt_summary.PDB_deposition_date         2003-11-01
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2021-10-27
_pdbx_vrpt_summary.report_creation_date        2021-10-16:23:19
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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  "General control protein GCN4"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  1  
D  2  
E  2  
F  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.9  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  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   14.71  141614     ?     ?  
2  2  1    6.72    6847  1.90  1.90  
3  1  2  100.00  138981     ?     ?  
4  2  2  100.00    6760  1.90  1.90  
5  1  3   34.70  138945     ?     ?  
6  2  3   25.92    6760  1.90  1.90  
7  1  4   19.18  130704     ?     ?  
8  2  4    7.74    6207  1.90  1.90  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A  100.00  
 4  6  3  A  1  1  A  100.00  
 5  3  2  B  1  1  B  100.00  
 6  4  2  B  1  1  B  100.00  
 7  5  3  B  1  1  B   15.17  
 8  6  3  B  1  1  B    6.80  
 9  3  2  C  1  1  C  100.00  
10  4  2  C  1  1  C  100.00  
11  5  3  C  1  1  C   33.74  
12  6  3  C  1  1  C   24.87  
#
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  1.38  0.69   253   335  
2  1  1  B  B  1.51  0.72   266   352  
3  1  1  C  C  1.43  0.68   246   325  
4  1  2  D  A     ?     ?     ?     ?  
5  1  2  E  B     ?     ?     ?     ?  
6  1  2  F  C     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       3.57
_pdbx_vrpt_summary_geometry.clashscore                     15.15
_pdbx_vrpt_summary_geometry.num_H_reduce                   822
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 765
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.70
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1012
_pdbx_vrpt_summary_geometry.angles_RMSZ                    1.44
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 75.107
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            55.259
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         24.827
_pdbx_vrpt_summary_diffraction.I_over_sigma              4.59(1.81A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        15853
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.271
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.329
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.491
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.324
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.914
_pdbx_vrpt_summary_diffraction.DCC_R                     0.26
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.80
_pdbx_vrpt_summary_diffraction.EDS_res_low               16.72
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[26.276,26.276,22.050,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.170
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 19.63% 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         2
_pdbx_vrpt_summary_diffraction.centric_outliers          3
_pdbx_vrpt_summary_diffraction.data_completeness         99.52
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      809
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.10
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        45.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.31
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   1  ARG  A    1  .  ?        1     1  
  2  1  1  A   2  MET  A    2  .  ?        ?     1  
  3  1  1  A   3  LYS  A    3  .  ?        ?     ?  
  4  1  1  A   4  GLN  A    4  .  ?        ?     ?  
  5  1  1  A   5  LEU  A    5  .  ?        ?     ?  
  6  1  1  A   6  GLU  A    6  .  ?        ?     ?  
  7  1  1  A   7  ASP  A    7  .  ?        ?     ?  
  8  1  1  A   8  LYS  A    8  .  ?        ?     ?  
  9  1  1  A   9  VAL  A    9  .  ?        ?     1  
 10  1  1  A  10  GLU  A   10  .  ?        ?     ?  
 11  1  1  A  11  GLU  A   11  .  ?        ?     ?  
 12  1  1  A  12  LEU  A   12  .  ?        ?     ?  
 13  1  1  A  13  LEU  A   13  .  ?        ?     ?  
 14  1  1  A  14  SER  A   14  .  ?        ?     ?  
 15  1  1  A  15  LYS  A   15  .  ?        ?     ?  
 16  1  1  A  16  ALA  A   16  .  ?        ?     ?  
 17  1  1  A  17  TYR  A   17  .  ?        ?     ?  
 18  1  1  A  18  HIS  A   18  .  ?        ?     1  
 19  1  1  A  19  LEU  A   19  .  ?        ?     ?  
 20  1  1  A  20  GLU  A   20  .  ?        ?     ?  
 21  1  1  A  21  ASN  A   21  .  ?        ?     2  
 22  1  1  A  22  GLU  A   22  .  ?        ?     ?  
 23  1  1  A  23  VAL  A   23  .  ?        ?     ?  
 24  1  1  A  24  ALA  A   24  .  ?        ?     ?  
 25  1  1  A  25  ARG  A   25  .  ?        2     2  
 26  1  1  A  26  LEU  A   26  .  ?        ?     4  
 27  1  1  A  27  LYS  A   27  .  ?        ?     ?  
 28  1  1  A  28  LYS  A   28  .  ?        ?     ?  
 29  1  1  A  29  LEU  A   29  .  ?        ?     ?  
 30  1  1  A  30  VAL  A   30  .  ?        ?     ?  
 31  1  1  B   1  ARG  B    1  .  ?        1     2  
 32  1  1  B   2  MET  B    2  .  ?        2     3  
 33  1  1  B   3  LYS  B    3  .  ?        ?     ?  
 34  1  1  B   4  GLN  B    4  .  ?        ?     ?  
 35  1  1  B   5  LEU  B    5  .  ?        ?     1  
 36  1  1  B   6  GLU  B    6  .  ?        ?     ?  
 37  1  1  B   7  ASP  B    7  .  ?        1     ?  
 38  1  1  B   8  LYS  B    8  .  ?        ?     ?  
 39  1  1  B   9  VAL  B    9  .  ?        ?     ?  
 40  1  1  B  10  GLU  B   10  .  ?        1     ?  
 41  1  1  B  11  GLU  B   11  .  ?        ?     ?  
 42  1  1  B  12  LEU  B   12  .  ?        ?     ?  
 43  1  1  B  13  LEU  B   13  .  ?        ?     ?  
 44  1  1  B  14  SER  B   14  .  ?        ?     ?  
 45  1  1  B  15  LYS  B   15  .  ?        ?     ?  
 46  1  1  B  16  ALA  B   16  .  ?        ?     ?  
 47  1  1  B  17  TYR  B   17  .  ?        ?     ?  
 48  1  1  B  18  HIS  B   18  .  ?        ?     ?  
 49  1  1  B  19  LEU  B   19  .  ?        ?     ?  
 50  1  1  B  20  GLU  B   20  .  ?        ?     ?  
 51  1  1  B  21  ASN  B   21  .  ?        ?     ?  
 52  1  1  B  22  GLU  B   22  .  ?        ?     1  
 53  1  1  B  23  VAL  B   23  .  ?        ?     2  
 54  1  1  B  24  ALA  B   24  .  ?        ?     ?  
 55  1  1  B  25  ARG  B   25  .  ?        ?     ?  
 56  1  1  B  26  LEU  B   26  .  ?        ?     ?  
 57  1  1  B  27  LYS  B   27  .  ?        ?     3  
 58  1  1  B  28  LYS  B   28  .  ?        ?     1  
 59  1  1  B  29  LEU  B   29  .  ?        ?     ?  
 60  1  1  B  30  VAL  B   30  .  ?        ?     ?  
 61  1  1  B  31  GLY  B   31  .  ?        ?     ?  
 62  1  1  B  32  GLU  B   32  .  ?        ?     ?  
 63  1  1  C   1  ARG  C    1  .  ?        ?     ?  
 64  1  1  C   2  MET  C    2  .  ?        ?     3  
 65  1  1  C   3  LYS  C    3  .  ?        ?     7  
 66  1  1  C   4  GLN  C    4  .  ?        ?     1  
 67  1  1  C   5  LEU  C    5  .  ?        ?     ?  
 68  1  1  C   6  GLU  C    6  .  ?        ?     ?  
 69  1  1  C   7  ASP  C    7  .  ?        ?     ?  
 70  1  1  C   8  LYS  C    8  .  ?        ?     2  
 71  1  1  C   9  VAL  C    9  .  ?        ?     ?  
 72  1  1  C  10  GLU  C   10  .  ?        ?     ?  
 73  1  1  C  11  GLU  C   11  .  ?        ?     ?  
 74  1  1  C  12  LEU  C   12  .  ?        ?     ?  
 75  1  1  C  13  LEU  C   13  .  ?        ?     ?  
 76  1  1  C  14  SER  C   14  .  ?        ?     ?  
 77  1  1  C  15  LYS  C   15  .  ?        ?     ?  
 78  1  1  C  16  ALA  C   16  .  ?        ?     ?  
 79  1  1  C  17  TYR  C   17  .  ?        ?     ?  
 80  1  1  C  18  HIS  C   18  .  ?        ?     1  
 81  1  1  C  19  LEU  C   19  .  ?        ?     ?  
 82  1  1  C  20  GLU  C   20  .  ?        ?     ?  
 83  1  1  C  21  ASN  C   21  .  ?        ?     ?  
 84  1  1  C  22  GLU  C   22  .  ?        1     2  
 85  1  1  C  23  VAL  C   23  .  ?        ?     1  
 86  1  1  C  24  ALA  C   24  .  ?        ?     ?  
 87  1  1  C  25  ARG  C   25  .  ?        ?     ?  
 88  1  1  C  26  LEU  C   26  .  ?        ?     1  
 89  1  1  C  27  LYS  C   27  .  ?        ?     1  
 90  1  1  C  28  LYS  C   28  .  ?        ?     ?  
 91  1  1  C  29  LEU  C   29  .  ?        ?     ?  
 92  1  2  D   .  HOH  A   34  .  ?        ?     ?  
 93  1  2  D   .  HOH  A   35  .  ?        ?     ?  
 94  1  2  D   .  HOH  A   36  .  ?        ?     ?  
 95  1  2  D   .  HOH  A   37  .  ?        ?     ?  
 96  1  2  D   .  HOH  A   38  .  ?        ?     ?  
 97  1  2  D   .  HOH  A   39  .  ?        ?     ?  
 98  1  2  D   .  HOH  A   40  .  ?        ?     ?  
 99  1  2  D   .  HOH  A   41  .  ?        ?     ?  
100  1  2  D   .  HOH  A   42  .  ?        ?     ?  
101  1  2  D   .  HOH  A   43  .  ?        ?     ?  
102  1  2  D   .  HOH  A   44  .  ?        ?     ?  
103  1  2  D   .  HOH  A   45  .  ?        ?     ?  
104  1  2  D   .  HOH  A   46  .  ?        ?     ?  
105  1  2  D   .  HOH  A   47  .  ?        ?     ?  
106  1  2  D   .  HOH  A   48  .  ?        ?     ?  
107  1  2  D   .  HOH  A   49  .  ?        ?     ?  
108  1  2  D   .  HOH  A   50  .  ?        ?     ?  
109  1  2  D   .  HOH  A   51  .  ?        ?     ?  
110  1  2  D   .  HOH  A   52  .  ?        ?     ?  
111  1  2  D   .  HOH  A   53  .  ?        ?     ?  
112  1  2  D   .  HOH  A   54  .  ?        ?     ?  
113  1  2  D   .  HOH  A   55  .  ?        ?     ?  
114  1  2  D   .  HOH  A   56  .  ?        ?     ?  
115  1  2  D   .  HOH  A   57  .  ?        ?     ?  
116  1  2  D   .  HOH  A   58  .  ?        ?     ?  
117  1  2  D   .  HOH  A   59  .  ?        ?     ?  
118  1  2  D   .  HOH  A   60  .  ?        ?     ?  
119  1  2  D   .  HOH  A   61  .  ?        ?     ?  
120  1  2  D   .  HOH  A   62  .  ?        ?     ?  
121  1  2  D   .  HOH  A   63  .  ?        ?     ?  
122  1  2  D   .  HOH  A   64  .  ?        ?     ?  
123  1  2  D   .  HOH  A   65  .  ?        ?     ?  
124  1  2  D   .  HOH  A   66  .  ?        ?     ?  
125  1  2  D   .  HOH  A   67  .  ?        ?     ?  
126  1  2  D   .  HOH  A   68  .  ?        ?     ?  
127  1  2  D   .  HOH  A   69  .  ?        ?     ?  
128  1  2  D   .  HOH  A   70  .  ?        ?     ?  
129  1  2  D   .  HOH  A   71  .  ?        ?     ?  
130  1  2  D   .  HOH  A   72  .  ?        ?     ?  
131  1  2  D   .  HOH  A   73  .  ?        ?     ?  
132  1  2  D   .  HOH  A   74  .  ?        ?     ?  
133  1  2  D   .  HOH  A   75  .  ?        ?     ?  
134  1  2  D   .  HOH  A   76  .  ?        ?     ?  
135  1  2  D   .  HOH  A   77  .  ?        ?     ?  
136  1  2  D   .  HOH  A   78  .  ?        ?     ?  
137  1  2  D   .  HOH  A   79  .  ?        ?     ?  
138  1  2  D   .  HOH  A   80  .  ?        ?     ?  
139  1  2  D   .  HOH  A   81  .  ?        ?     ?  
140  1  2  D   .  HOH  A   82  .  ?        ?     ?  
141  1  2  D   .  HOH  A   83  .  ?        ?     ?  
142  1  2  D   .  HOH  A   84  .  ?        ?     ?  
143  1  2  D   .  HOH  A   85  .  ?        ?     ?  
144  1  2  D   .  HOH  A   86  .  ?        ?     ?  
145  1  2  D   .  HOH  A   87  .  ?        ?     ?  
146  1  2  D   .  HOH  A   88  .  ?        ?     ?  
147  1  2  D   .  HOH  A   89  .  ?        ?     ?  
148  1  2  D   .  HOH  A   90  .  ?        ?     ?  
149  1  2  D   .  HOH  A   91  .  ?        ?     ?  
150  1  2  D   .  HOH  A   92  .  ?        ?     ?  
151  1  2  D   .  HOH  A   93  .  ?        ?     ?  
152  1  2  D   .  HOH  A   94  .  ?        ?     ?  
153  1  2  D   .  HOH  A   95  .  ?        ?     ?  
154  1  2  D   .  HOH  A   96  .  ?        ?     ?  
155  1  2  D   .  HOH  A   97  .  ?        ?     ?  
156  1  2  D   .  HOH  A   98  .  ?        ?     ?  
157  1  2  D   .  HOH  A   99  .  ?        ?     ?  
158  1  2  D   .  HOH  A  100  .  ?        ?     ?  
159  1  2  D   .  HOH  A  101  .  ?        ?     ?  
160  1  2  D   .  HOH  A  102  .  ?        ?     ?  
161  1  2  D   .  HOH  A  103  .  ?        ?     ?  
162  1  2  D   .  HOH  A  104  .  ?        ?     ?  
163  1  2  D   .  HOH  A  105  .  ?        ?     ?  
164  1  2  D   .  HOH  A  106  .  ?        ?     ?  
165  1  2  D   .  HOH  A  107  .  ?        ?     ?  
166  1  2  D   .  HOH  A  108  .  ?        ?     ?  
167  1  2  E   .  HOH  B   34  .  ?        ?     ?  
168  1  2  E   .  HOH  B   35  .  ?        ?     ?  
169  1  2  E   .  HOH  B   36  .  ?        ?     ?  
170  1  2  E   .  HOH  B   37  .  ?        ?     ?  
171  1  2  E   .  HOH  B   38  .  ?        ?     ?  
172  1  2  E   .  HOH  B   39  .  ?        ?     ?  
173  1  2  E   .  HOH  B   40  .  ?        ?     ?  
174  1  2  E   .  HOH  B   41  .  ?        ?     ?  
175  1  2  E   .  HOH  B   42  .  ?        ?     ?  
176  1  2  E   .  HOH  B   43  .  ?        ?     ?  
177  1  2  E   .  HOH  B   44  .  ?        ?     ?  
178  1  2  E   .  HOH  B   45  .  ?        ?     ?  
179  1  2  E   .  HOH  B   46  .  ?        ?     ?  
180  1  2  E   .  HOH  B   47  .  ?        ?     1  
181  1  2  E   .  HOH  B   48  .  ?        ?     ?  
182  1  2  E   .  HOH  B   49  .  ?        ?     ?  
183  1  2  E   .  HOH  B   50  .  ?        ?     ?  
184  1  2  E   .  HOH  B   51  .  ?        ?     ?  
185  1  2  E   .  HOH  B   52  .  ?        ?     ?  
186  1  2  E   .  HOH  B   53  .  ?        ?     ?  
187  1  2  E   .  HOH  B   54  .  ?        ?     ?  
188  1  2  E   .  HOH  B   55  .  ?        ?     ?  
189  1  2  E   .  HOH  B   56  .  ?        ?     ?  
190  1  2  E   .  HOH  B   57  .  ?        ?     ?  
191  1  2  E   .  HOH  B   58  .  ?        ?     ?  
192  1  2  E   .  HOH  B   59  .  ?        ?     ?  
193  1  2  E   .  HOH  B   60  .  ?        ?     ?  
194  1  2  E   .  HOH  B   61  .  ?        ?     ?  
195  1  2  E   .  HOH  B   62  .  ?        ?     ?  
196  1  2  E   .  HOH  B   63  .  ?        ?     ?  
197  1  2  E   .  HOH  B   64  .  ?        ?     ?  
198  1  2  E   .  HOH  B   65  .  ?        ?     ?  
199  1  2  E   .  HOH  B   66  .  ?        ?     ?  
200  1  2  E   .  HOH  B   67  .  ?        ?     ?  
201  1  2  E   .  HOH  B   68  .  ?        ?     ?  
202  1  2  E   .  HOH  B   69  .  ?        ?     ?  
203  1  2  E   .  HOH  B   70  .  ?        ?     ?  
204  1  2  E   .  HOH  B   71  .  ?        ?     ?  
205  1  2  E   .  HOH  B   72  .  ?        ?     ?  
206  1  2  E   .  HOH  B   73  .  ?        ?     ?  
207  1  2  E   .  HOH  B   74  .  ?        ?     ?  
208  1  2  E   .  HOH  B   75  .  ?        ?     ?  
209  1  2  E   .  HOH  B   76  .  ?        ?     ?  
210  1  2  E   .  HOH  B   77  .  ?        ?     ?  
211  1  2  E   .  HOH  B   78  .  ?        ?     ?  
212  1  2  E   .  HOH  B   79  .  ?        ?     ?  
213  1  2  E   .  HOH  B   80  .  ?        ?     ?  
214  1  2  E   .  HOH  B   81  .  ?        ?     ?  
215  1  2  E   .  HOH  B   82  .  ?        ?     ?  
216  1  2  E   .  HOH  B   83  .  ?        ?     ?  
217  1  2  E   .  HOH  B   84  .  ?        ?     ?  
218  1  2  E   .  HOH  B   85  .  ?        ?     ?  
219  1  2  E   .  HOH  B   86  .  ?        ?     ?  
220  1  2  E   .  HOH  B   87  .  ?        ?     ?  
221  1  2  E   .  HOH  B   88  .  ?        ?     ?  
222  1  2  E   .  HOH  B   89  .  ?        ?     ?  
223  1  2  E   .  HOH  B   90  .  ?        ?     ?  
224  1  2  E   .  HOH  B   91  .  ?        ?     ?  
225  1  2  E   .  HOH  B   92  .  ?        ?     1  
226  1  2  E   .  HOH  B   93  .  ?        ?     1  
227  1  2  E   .  HOH  B   94  .  ?        ?     ?  
228  1  2  E   .  HOH  B   95  .  ?        ?     ?  
229  1  2  E   .  HOH  B   96  .  ?        ?     1  
230  1  2  E   .  HOH  B   97  .  ?        ?     ?  
231  1  2  E   .  HOH  B   98  .  ?        ?     ?  
232  1  2  E   .  HOH  B   99  .  ?        ?     ?  
233  1  2  E   .  HOH  B  100  .  ?        ?     ?  
234  1  2  E   .  HOH  B  101  .  ?        ?     ?  
235  1  2  E   .  HOH  B  102  .  ?        ?     ?  
236  1  2  E   .  HOH  B  103  .  ?        ?     ?  
237  1  2  E   .  HOH  B  104  .  ?        ?     ?  
238  1  2  E   .  HOH  B  105  .  ?        ?     ?  
239  1  2  E   .  HOH  B  106  .  ?        ?     ?  
240  1  2  F   .  HOH  C   34  .  ?        ?     ?  
241  1  2  F   .  HOH  C   35  .  ?        ?     ?  
242  1  2  F   .  HOH  C   36  .  ?        ?     ?  
243  1  2  F   .  HOH  C   37  .  ?        ?     ?  
244  1  2  F   .  HOH  C   38  .  ?        ?     ?  
245  1  2  F   .  HOH  C   39  .  ?        ?     ?  
246  1  2  F   .  HOH  C   40  .  ?        ?     ?  
247  1  2  F   .  HOH  C   41  .  ?        ?     ?  
248  1  2  F   .  HOH  C   42  .  ?        ?     ?  
#
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.flippable_sidechain
_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
 1   1  mtp180       ?      ?  ?           ?  15  11  0.56  14  2.82  molprobity  
 2   2  tpp      -59.6  -49.5  Favored     ?   9   8  0.68  10  1.44  molprobity  
 3   3  tptp     -62.6  -38.5  Favored     ?  13   9  0.35  11  0.88  molprobity  
 4   4  mt-30    -65.2  -34.6  Favored     1   8   9  0.65  12  1.27  molprobity  
 5   5  tp       -67.4  -50.7  Favored     ?  11   8  0.43  11  1.58  molprobity  
 6   6  mt-10    -56.1  -41.8  Favored     ?   6   9  0.96  12  1.32  molprobity  
 7   7  m-20     -60.1  -42.4  Favored     ?   4   8  0.30  11  1.07  molprobity  
 8   8  mttp     -67.2  -42.0  Favored     ?  13   9  0.60  11  1.31  molprobity  
 9   9  t        -61.4  -38.7  Favored     ?   9   7  0.90  10  1.06  molprobity  
10  10  mm-40    -66.4  -41.1  Favored     ?   6   9  0.74  12  1.08  molprobity  
11  11  tt0      -54.5  -52.0  Favored     ?   6   9  1.13  12  1.03  molprobity  
12  12  tp       -55.7  -54.7  Favored     ?  11   8  0.80  11  1.10  molprobity  
13  13  tp       -59.6  -36.1  Favored     ?  11   8  0.64  11  1.29  molprobity  
14  14  t        -66.2  -36.9  Favored     ?   5   6  0.91   8  0.71  molprobity  
15  15  mttt     -69.3  -38.5  Favored     ?  13   9  0.60  11  0.90  molprobity  
16  16  ?        -64.5  -44.1  Favored     ?   5   5  0.52   7  0.98  molprobity  
17  17  m-85     -63.9  -38.7  Favored     ?   9  13  0.83  18  0.85  molprobity  
18  18  t-80     -61.8  -47.4  Favored     ?   7  11  0.38  15  0.73  molprobity  
19  19  mt       -59.0  -42.4  Favored     ?  11   8  0.39  11  0.98  molprobity  
20  20  tt0      -56.5  -47.9  Favored     ?   6   9  0.86  12  0.88  molprobity  
21  21  m-20     -64.2  -41.0  Favored     ?   6   8  0.45  11  0.91  molprobity  
22  22  mt-10    -64.2  -38.4  Favored     ?   6   9  0.76  12  1.34  molprobity  
23  23  t        -67.0  -38.5  Favored     ?   9   7  0.38  10  1.10  molprobity  
24  24  ?        -65.7  -39.9  Favored     ?   5   5  0.99   7  1.50  molprobity  
25  25  mtm-85   -64.5  -43.8  Favored     ?  13  11  0.68  14  3.25  molprobity  
26  26  mt       -65.2  -43.3  Favored     ?  11   8  0.82  11  1.80  molprobity  
27  27  tttt     -54.1  -39.4  Favored     ?  13   9  0.57  11  0.67  molprobity  
28  28  tptp     -70.4  -37.0  Favored     ?  13   9  0.51  11  0.60  molprobity  
29  29  mt       -66.9  -43.2  Favored     ?  11   8  0.58  11  0.57  molprobity  
30  30  t            ?      ?  ?           ?   9   6  0.89   7  1.47  molprobity  
31  31  tpt180       ?      ?  ?           ?  15  11  0.62  14  2.33  molprobity  
32  32  tpp      -65.9  -44.5  Favored     ?   9   8  0.96  10  3.36  molprobity  
33  33  tptt     -67.0  -32.3  Favored     ?  13   9  0.68  11  1.17  molprobity  
34  34  tt0      -62.1  -43.0  Favored     ?   8   9  0.54  12  1.07  molprobity  
35  35  mt       -77.7  -31.3  Favored     ?  11   8  0.62  11  1.10  molprobity  
36  36  mt-10    -64.8  -43.2  Favored     ?   6   9  0.61  12  1.17  molprobity  
37  37  m-20     -63.3  -42.3  Favored     ?   4   8  0.75  11  2.10  molprobity  
38  38  tppt?    -64.0  -44.6  Favored     ?  13   9  0.86  11  1.44  molprobity  
39  39  p        -66.3  -33.1  Favored     ?   9   7  0.30  10  1.26  molprobity  
40  40  mt-10    -70.3  -36.0  Favored     ?   6   9  1.20  12  2.84  molprobity  
41  41  tt0      -60.2  -49.6  Favored     ?   6   9  0.69  12  1.31  molprobity  
42  42  mt       -64.3  -36.6  Favored     ?  11   8  1.10  11  1.15  molprobity  
43  43  mt       -63.7  -37.1  Favored     ?  11   8  0.73  11  1.28  molprobity  
44  44  t        -66.6  -45.0  Favored     ?   5   6  0.35   8  1.20  molprobity  
45  45  mttm     -61.4  -41.0  Favored     ?  13   9  0.96  11  0.93  molprobity  
46  46  ?        -58.7  -46.7  Favored     ?   5   5  0.60   7  0.96  molprobity  
47  47  t80      -58.5  -47.3  Favored     ?   9  13  0.79  18  1.43  molprobity  
48  48  m-70     -66.4  -34.0  Favored     1   7  11  0.62  15  1.30  molprobity  
49  49  mt       -66.8  -37.5  Favored     ?  11   8  0.83  11  1.17  molprobity  
50  50  tp10     -62.1  -38.3  Favored     ?   6   9  0.80  12  1.04  molprobity  
51  51  m-20     -64.5  -37.2  Favored     ?   6   8  0.51  11  0.77  molprobity  
52  52  tt0      -67.6  -42.1  Favored     ?   6   9  0.64  12  0.91  molprobity  
53  53  t        -59.9  -47.1  Favored     ?   9   7  0.62  10  1.27  molprobity  
54  54  ?        -56.0  -45.4  Favored     ?   5   5  0.41   7  0.81  molprobity  
55  55  mtm-85   -63.1  -45.7  Favored     ?  13  11  0.70  14  2.06  molprobity  
56  56  mt       -69.9  -32.4  Favored     ?  11   8  0.53  11  0.47  molprobity  
57  57  mtpt     -62.6  -41.0  Favored     ?  13   9  0.56  11  0.54  molprobity  
58  58  tttt     -62.2  -47.5  Favored     ?  13   9  0.42  11  0.81  molprobity  
59  59  OUTLIER  -59.2  -49.1  Favored     ?  11   8  0.42  11  1.16  molprobity  
60  60  p        -72.9  -17.0  Favored     ?   9   7  0.58  10  1.40  molprobity  
61  61  ?        -93.9   -5.0  Favored     ?   3   4  0.41   5  1.69  molprobity  
62  62  OUTLIER      ?      ?  ?           ?   6   8  1.18   9  2.14  molprobity  
63  63  mtp180       ?      ?  ?           ?  15  11  0.58  14  1.41  molprobity  
64  64  tpt      -67.7  -40.8  Favored     ?   9   8  0.58  10  1.39  molprobity  
65  65  OUTLIER  -61.6  -45.0  Favored     ?  13   9  0.28  11  1.30  molprobity  
66  66  tt0      -63.9  -42.0  Favored     ?   8   9  0.47  12  0.80  molprobity  
67  67  tp       -62.9  -49.3  Favored     ?  11   8  0.55  11  1.05  molprobity  
68  68  mt-10    -57.2  -40.9  Favored     ?   6   9  0.60  12  1.23  molprobity  
69  69  m-20     -64.5  -45.2  Favored     ?   4   8  0.57  11  0.95  molprobity  
70  70  mmtt     -68.3  -39.5  Favored     ?  13   9  0.53  11  1.27  molprobity  
71  71  t        -63.2  -44.2  Favored     ?   9   7  0.70  10  1.59  molprobity  
72  72  mm-40    -62.9  -37.8  Favored     ?   6   9  0.60  12  1.71  molprobity  
73  73  tt0      -65.0  -42.6  Favored     ?   6   9  0.49  12  0.86  molprobity  
74  74  tp       -60.8  -43.6  Favored     ?  11   8  0.73  11  0.64  molprobity  
75  75  tp       -61.0  -47.6  Favored     ?  11   8  0.47  11  1.28  molprobity  
76  76  t        -62.9  -35.8  Favored     ?   5   6  1.05   8  1.38  molprobity  
77  77  mttt     -69.7  -35.3  Favored     ?  13   9  0.75  11  1.10  molprobity  
78  78  ?        -65.6  -43.1  Favored     ?   5   5  0.73   7  1.89  molprobity  
79  79  m-85     -65.5  -38.8  Favored     ?   9  13  1.05  18  1.58  molprobity  
80  80  t-80     -62.5  -47.5  Favored     1   7  11  0.40  15  0.78  molprobity  
81  81  tp       -61.4  -41.9  Favored     ?  11   8  0.63  11  1.43  molprobity  
82  82  tt0      -55.1  -46.5  Favored     ?   6   9  1.25  12  1.79  molprobity  
83  83  t30      -71.2  -33.2  Favored     ?   6   8  1.17  11  1.41  molprobity  
84  84  mt-10    -61.5  -40.7  Favored     ?   6   9  0.51  12  3.40  molprobity  
85  85  t        -64.8  -41.3  Favored     ?   9   7  0.60  10  0.65  molprobity  
86  86  ?        -62.4  -40.1  Favored     ?   5   5  0.85   7  0.86  molprobity  
87  87  mtp-105  -65.8  -38.4  Favored     ?  13  11  0.51  14  1.46  molprobity  
88  88  tp       -66.3  -37.6  Favored     ?  11   8  0.69  11  1.07  molprobity  
89  89  tptp     -60.7  -34.6  Favored     ?  13   9  0.58  11  1.37  molprobity  
90  90  mmmt     -61.7  -44.6  Favored     ?  13   9  0.37  11  1.47  molprobity  
91  91  mt           ?      ?  ?           ?  11   7  0.39   8  1.46  molprobity  
#
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  CZ     1  0.49  2.42  
 2    2  HG2    2  0.57  1.85  
 3    9  HG21   3  0.44  2.00  
 4   18  HE1    4  0.51  1.94  
 5   21  HB3    5  0.57  1.69  
 6   21  HB3    6  0.48  2.28  
 7   25  HH12   5  0.57  1.69  
 8   25  NH1    6  0.48  2.28  
 9   26  HB3    7  0.87  2.04  
10   26  HB3    8  0.80  1.62  
11   26  HB3    9  0.67  1.75  
12   26  HD21  10  0.45  1.99  
13   31  NH2   11  0.66  2.28  
14   31  N     12  0.47  2.47  
15   32  HG2    1  0.49  2.42  
16   32  O     13  0.40  2.16  
17   32  HG3   13  0.40  2.16  
18   35  HD12  14  0.42  2.01  
19   52  HG3   15  0.74  1.86  
20   53  HG12  16  0.54  1.89  
21   53  CG1   17  0.44  2.48  
22   57  HD2   16  0.54  1.89  
23   57  HD2   17  0.44  2.48  
24   57  HA    10  0.45  1.99  
25   58  HE2   18  0.53  2.07  
26   64  CE     7  0.87  2.04  
27   64  HE1    8  0.80  1.62  
28   64  HE3    9  0.67  1.75  
29   65  H     19  0.59  1.68  
30   65  H     20  0.52  2.22  
31   65  HD2   19  0.59  1.68  
32   65  HD2   21  0.41  2.35  
33   65  HG2   22  0.54  2.22  
34   65  CD    20  0.52  2.22  
35   65  N     21  0.41  2.35  
36   66  N     22  0.54  2.22  
37   70  HD3   23  0.41  1.89  
38   70  HA    23  0.41  1.89  
39   80  CE1   24  0.40  2.73  
40   84  OE1   11  0.66  2.28  
41   84  OE2   24  0.40  2.73  
42   85  HG21   3  0.44  2.00  
43   88  HD22  14  0.42  2.01  
44   89  HD3    2  0.57  1.85  
45  180  O     12  0.47  2.47  
46  225  O      4  0.51  1.94  
47  226  O     15  0.74  1.86  
48  229  O     18  0.53  2.07  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1   1  NE   CZ  NH1  117.288  120.300  0.500   -6.03  
2  25  CD   NE  CZ   134.709  123.600  1.400    7.93  
3  25  NE   CZ  NH1  124.187  120.300  0.500    7.77  
4  31  NE   CZ  NH2  116.862  120.300  0.500   -6.88  
5  32  CA   CB  CG   104.574  113.300  1.700   -5.13  
6  32  CG   SD  CE    85.910  100.200  1.600   -8.93  
7  37  CB   CG  OD2  113.418  118.300  0.900   -5.42  
8  40  OE1  CD  OE2  132.366  123.300  1.200    7.55  
9  84  OE1  CD  OE2  110.869  123.300  1.200  -10.36  
#
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  eds          2.23.2                                                                Y  
3  dcc          "2.26  (2020-01-20)"                                                  Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
