data_6Z07

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6Z07
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6Z07
_pdbx_vrpt_summary.PDB_deposition_date         2020-05-07
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-01-24
_pdbx_vrpt_summary.report_creation_date        2024-01-14:12:44
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Transcriptional regulator MvfR"  
2  non-polymer  3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one  
3  non-polymer  GLYCEROL  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.95  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   13.72  141614     ?     ?  
 2  2  1   42.00    3462  2.92  3.00  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3340  2.92  3.00  
 5  1  3   43.14  138945     ?     ?  
 6  2  3   73.65    3343  2.92  3.00  
 7  1  4   29.29  127900     ?     ?  
 8  2  4   18.39    2986  2.92  3.00  
 9  1  5   27.11  130704     ?     ?  
10  2  5   62.63    3104  2.92  3.00  
#
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  AAA  100.00  
2  4  2  A  1  1  AAA  100.00  
3  5  3  A  1  1  AAA   43.14  
4  6  3  A  1  1  AAA   73.65  
5  7  4  A  1  1  AAA   29.29  
6  8  4  A  1  1  AAA   18.39  
#
_pdbx_vrpt_summary_entity_geometry.ordinal          1
_pdbx_vrpt_summary_entity_geometry.PDB_model_num    1
_pdbx_vrpt_summary_entity_geometry.entity_id        1
_pdbx_vrpt_summary_entity_geometry.label_asym_id    A
_pdbx_vrpt_summary_entity_geometry.auth_asym_id     AAA
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.92
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.71
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1628
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2210
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.81
_pdbx_vrpt_summary_geometry.clashscore                     15.82
_pdbx_vrpt_summary_geometry.num_H_reduce                   1598
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1628
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.71
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2210
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.92
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            99.975
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         121.525
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.09(2.96A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        10857
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.372
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.484
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.316
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.953
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.95
_pdbx_vrpt_summary_diffraction.EDS_res_low               60.40
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[119.864,119.864,126.214,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.052
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.27% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.95
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      528
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.86
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     4.93
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.95
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        60.47
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
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_angle_outliers
_pdbx_vrpt_model_instance.ligand_of_interest
  1  1  1  A   24  ASN  AAA   94  .  ?        ?     ?  ?     
  2  1  1  A   25  LEU  AAA   95  .  ?        ?     ?  ?     
  3  1  1  A   26  ARG  AAA   96  .  ?        1     ?  ?     
  4  1  1  A   27  VAL  AAA   97  .  ?        ?     ?  ?     
  5  1  1  A   28  LEU  AAA   98  .  ?        3     ?  ?     
  6  1  1  A   29  LEU  AAA   99  .  ?        1     ?  ?     
  7  1  1  A   30  ASP  AAA  100  .  ?        4     ?  ?     
  8  1  1  A   31  THR  AAA  101  .  ?        1     ?  ?     
  9  1  1  A   32  ALA  AAA  102  .  ?        ?     ?  ?     
 10  1  1  A   33  ILE  AAA  103  .  ?        ?     ?  ?     
 11  1  1  A   34  PRO  AAA  104  .  ?        ?     ?  ?     
 12  1  1  A   35  PRO  AAA  105  .  ?        ?     ?  ?     
 13  1  1  A   36  SER  AAA  106  .  ?        1     ?  ?     
 14  1  1  A   37  PHE  AAA  107  .  ?        6     ?  ?     
 15  1  1  A   38  CYS  AAA  108  .  ?        1     ?  ?     
 16  1  1  A   39  ASP  AAA  109  .  ?        ?     ?  ?     
 17  1  1  A   40  THR  AAA  110  .  ?        5     ?  ?     
 18  1  1  A   41  VAL  AAA  111  .  ?        7     ?  ?     
 19  1  1  A   42  SER  AAA  112  .  ?        2     ?  ?     
 20  1  1  A   43  SER  AAA  113  .  ?        ?     ?  ?     
 21  1  1  A   44  VAL  AAA  114  .  ?        1     ?  ?     
 22  1  1  A   45  LEU  AAA  115  .  ?        ?     ?  ?     
 23  1  1  A   46  LEU  AAA  116  .  ?        ?     ?  ?     
 24  1  1  A   47  ASP  AAA  117  .  ?        ?     ?  ?     
 25  1  1  A   48  ASP  AAA  118  .  ?        1     ?  ?     
 26  1  1  A   49  PHE  AAA  119  .  ?        ?     ?  ?     
 27  1  1  A   50  ASN  AAA  120  .  ?        ?     ?  ?     
 28  1  1  A   51  MET  AAA  121  .  ?        ?     ?  ?     
 29  1  1  A   52  VAL  AAA  122  .  ?        ?     ?  ?     
 30  1  1  A   53  SER  AAA  123  .  ?        ?     ?  ?     
 31  1  1  A   54  LEU  AAA  124  .  ?        ?     ?  ?     
 32  1  1  A   55  ILE  AAA  125  .  ?        ?     ?  ?     
 33  1  1  A   56  ARG  AAA  126  .  ?        ?     ?  ?     
 34  1  1  A   57  THR  AAA  127  .  ?        3     ?  ?     
 35  1  1  A   58  SER  AAA  128  .  ?        ?     ?  ?     
 36  1  1  A   59  PRO  AAA  129  .  ?        ?     ?  ?     
 37  1  1  A   60  ALA  AAA  130  .  ?        ?     ?  ?     
 38  1  1  A   61  ASP  AAA  131  .  ?        ?     ?  ?     
 39  1  1  A   62  SER  AAA  132  .  ?        ?     ?  ?     
 40  1  1  A   63  LEU  AAA  133  .  ?        2     ?  ?     
 41  1  1  A   64  ALA  AAA  134  .  ?        ?     ?  ?     
 42  1  1  A   65  THR  AAA  135  .  ?        ?     ?  ?     
 43  1  1  A   66  ILE  AAA  136  .  ?        ?     ?  ?     
 44  1  1  A   67  LYS  AAA  137  .  ?        ?     ?  ?     
 45  1  1  A   68  GLN  AAA  138  .  ?        ?     ?  ?     
 46  1  1  A   69  ASP  AAA  139  .  ?        2     ?  ?     
 47  1  1  A   70  ASN  AAA  140  .  ?        ?     ?  ?     
 48  1  1  A   71  ALA  AAA  141  .  ?        ?     ?  ?     
 49  1  1  A   72  GLU  AAA  142  .  ?        1     ?  ?     
 50  1  1  A   73  ILE  AAA  143  .  ?        ?     ?  ?     
 51  1  1  A   74  ASP  AAA  144  .  ?        ?     ?  ?     
 52  1  1  A   75  ILE  AAA  145  .  ?        ?     ?  ?     
 53  1  1  A   76  ALA  AAA  146  .  ?        ?     ?  ?     
 54  1  1  A   77  ILE  AAA  147  .  ?        ?     ?  ?     
 55  1  1  A   78  THR  AAA  148  .  ?        1     ?  ?     
 56  1  1  A   79  ILE  AAA  149  .  ?        ?     ?  ?     
 57  1  1  A   80  ASP  AAA  150  .  ?        ?     ?  ?     
 58  1  1  A   81  GLU  AAA  151  .  ?        ?     ?  ?     
 59  1  1  A   82  GLU  AAA  152  .  ?        ?     ?  ?     
 60  1  1  A   83  LEU  AAA  153  .  ?        4     ?  ?     
 61  1  1  A   84  LYS  AAA  154  .  ?        4     ?  ?     
 62  1  1  A   85  ILE  AAA  155  .  ?        ?     ?  ?     
 63  1  1  A   86  SER  AAA  156  .  ?        ?     ?  ?     
 64  1  1  A   87  ARG  AAA  157  .  ?        ?     ?  ?     
 65  1  1  A   88  PHE  AAA  158  .  ?        ?     ?  ?     
 66  1  1  A   89  ASN  AAA  159  .  ?        1     ?  ?     
 67  1  1  A   90  GLN  AAA  160  .  ?        ?     ?  ?     
 68  1  1  A   91  CYS  AAA  161  .  ?        ?     ?  ?     
 69  1  1  A   92  VAL  AAA  162  .  ?        ?     ?  ?     
 70  1  1  A   93  LEU  AAA  163  .  ?        2     ?  ?     
 71  1  1  A   94  GLY  AAA  164  .  ?        ?     ?  ?     
 72  1  1  A   95  TYR  AAA  165  .  ?        2     ?  ?     
 73  1  1  A   96  THR  AAA  166  .  ?        ?     ?  ?     
 74  1  1  A   97  LYS  AAA  167  .  ?        ?     ?  ?     
 75  1  1  A   98  ALA  AAA  168  .  ?        ?     ?  ?     
 76  1  1  A   99  PHE  AAA  169  .  ?        ?     ?  ?     
 77  1  1  A  100  VAL  AAA  170  .  ?        ?     ?  ?     
 78  1  1  A  101  VAL  AAA  171  .  ?        ?     ?  ?     
 79  1  1  A  102  ALA  AAA  172  .  ?        ?     ?  ?     
 80  1  1  A  103  HIS  AAA  173  .  ?        2     ?  ?     
 81  1  1  A  104  PRO  AAA  174  .  ?        ?     ?  ?     
 82  1  1  A  105  GLN  AAA  175  .  ?        1     ?  ?     
 83  1  1  A  106  HIS  AAA  176  .  ?        2     ?  ?     
 84  1  1  A  107  PRO  AAA  177  .  ?        1     ?  ?     
 85  1  1  A  108  LEU  AAA  178  .  ?        1     ?  ?     
 86  1  1  A  109  CYS  AAA  179  .  ?        ?     ?  ?     
 87  1  1  A  110  ASN  AAA  180  .  ?        2     ?  ?     
 88  1  1  A  111  ALA  AAA  181  .  ?        ?     ?  ?     
 89  1  1  A  112  SER  AAA  182  .  ?        2     ?  ?     
 90  1  1  A  113  LEU  AAA  183  .  ?        4     ?  ?     
 91  1  1  A  114  HIS  AAA  184  .  ?        ?     ?  ?     
 92  1  1  A  115  SER  AAA  185  .  ?        1     ?  ?     
 93  1  1  A  116  ILE  AAA  186  .  ?        ?     ?  ?     
 94  1  1  A  117  ALA  AAA  187  .  ?        ?     ?  ?     
 95  1  1  A  118  SER  AAA  188  .  ?        ?     ?  ?     
 96  1  1  A  119  LEU  AAA  189  .  ?        ?     ?  ?     
 97  1  1  A  120  ALA  AAA  190  .  ?        ?     ?  ?     
 98  1  1  A  121  ASN  AAA  191  .  ?        ?     ?  ?     
 99  1  1  A  122  TYR  AAA  192  .  ?        ?     ?  ?     
100  1  1  A  123  ARG  AAA  193  .  ?        ?     ?  ?     
101  1  1  A  124  GLN  AAA  194  .  ?        ?     ?  ?     
102  1  1  A  125  ILE  AAA  195  .  ?        ?     ?  ?     
103  1  1  A  126  SER  AAA  196  .  ?        ?     ?  ?     
104  1  1  A  127  LEU  AAA  197  .  ?        1     ?  ?     
105  1  1  A  128  GLY  AAA  198  .  ?        ?     ?  ?     
106  1  1  A  129  SER  AAA  199  .  ?        ?     ?  ?     
107  1  1  A  130  ARG  AAA  200  .  ?        ?     ?  ?     
108  1  1  A  131  SER  AAA  201  .  ?        ?     ?  ?     
109  1  1  A  132  GLY  AAA  202  .  ?        ?     ?  ?     
110  1  1  A  133  GLN  AAA  203  .  ?        ?     ?  ?     
111  1  1  A  134  HIS  AAA  204  .  ?        ?     ?  ?     
112  1  1  A  135  SER  AAA  205  .  ?        ?     ?  ?     
113  1  1  A  136  ASN  AAA  206  .  ?        ?     ?  ?     
114  1  1  A  137  LEU  AAA  207  .  ?        ?     ?  ?     
115  1  1  A  138  LEU  AAA  208  .  ?        ?     ?  ?     
116  1  1  A  139  ARG  AAA  209  .  ?        ?     ?  ?     
117  1  1  A  140  PRO  AAA  210  .  ?        ?     ?  ?     
118  1  1  A  141  VAL  AAA  211  .  ?        1     ?  ?     
119  1  1  A  142  SER  AAA  212  .  ?        ?     ?  ?     
120  1  1  A  143  ASP  AAA  213  .  ?        ?     ?  ?     
121  1  1  A  144  LYS  AAA  214  .  ?        ?     ?  ?     
122  1  1  A  145  VAL  AAA  215  .  ?        ?     ?  ?     
123  1  1  A  146  LEU  AAA  216  .  ?        ?     ?  ?     
124  1  1  A  147  PHE  AAA  217  .  ?        ?     ?  ?     
125  1  1  A  148  VAL  AAA  218  .  ?        ?     ?  ?     
126  1  1  A  149  GLU  AAA  219  .  ?        ?     ?  ?     
127  1  1  A  150  ASN  AAA  220  .  ?        1     ?  ?     
128  1  1  A  151  PHE  AAA  221  .  ?        2     ?  ?     
129  1  1  A  152  ASP  AAA  222  .  ?        1     ?  ?     
130  1  1  A  153  ASP  AAA  223  .  ?        ?     ?  ?     
131  1  1  A  154  MET  AAA  224  .  ?        ?     ?  ?     
132  1  1  A  155  LEU  AAA  225  .  ?        ?     ?  ?     
133  1  1  A  156  ARG  AAA  226  .  ?        ?     ?  ?     
134  1  1  A  157  LEU  AAA  227  .  ?        ?     ?  ?     
135  1  1  A  158  VAL  AAA  228  .  ?        ?     ?  ?     
136  1  1  A  159  GLU  AAA  229  .  ?        2     ?  ?     
137  1  1  A  160  ALA  AAA  230  .  ?        ?     ?  ?     
138  1  1  A  161  GLY  AAA  231  .  ?        ?     ?  ?     
139  1  1  A  162  VAL  AAA  232  .  ?        ?     ?  ?     
140  1  1  A  163  GLY  AAA  233  .  ?        ?     ?  ?     
141  1  1  A  164  TRP  AAA  234  .  ?        ?     ?  ?     
142  1  1  A  165  GLY  AAA  235  .  ?        ?     ?  ?     
143  1  1  A  166  ILE  AAA  236  .  ?        ?     ?  ?     
144  1  1  A  167  ALA  AAA  237  .  ?        ?     ?  ?     
145  1  1  A  168  PRO  AAA  238  .  ?        1     ?  ?     
146  1  1  A  169  HIS  AAA  239  .  ?        ?     ?  ?     
147  1  1  A  170  TYR  AAA  240  .  ?        ?     ?  ?     
148  1  1  A  171  PHE  AAA  241  .  ?        ?     ?  ?     
149  1  1  A  172  VAL  AAA  242  .  ?        ?     ?  ?     
150  1  1  A  173  GLU  AAA  243  .  ?        ?     ?  ?     
151  1  1  A  174  GLU  AAA  244  .  ?        ?     ?  ?     
152  1  1  A  175  ARG  AAA  245  .  ?        1     ?  ?     
153  1  1  A  176  LEU  AAA  246  .  ?        ?     ?  ?     
154  1  1  A  177  ARG  AAA  247  .  ?        ?     ?  ?     
155  1  1  A  178  ASN  AAA  248  .  ?        ?     ?  ?     
156  1  1  A  179  GLY  AAA  249  .  ?        ?     ?  ?     
157  1  1  A  180  THR  AAA  250  .  ?        1     ?  ?     
158  1  1  A  181  LEU  AAA  251  .  ?        ?     ?  ?     
159  1  1  A  182  ALA  AAA  252  .  ?        ?     ?  ?     
160  1  1  A  183  VAL  AAA  253  .  ?        ?     ?  ?     
161  1  1  A  184  LEU  AAA  254  .  ?        ?     ?  ?     
162  1  1  A  185  SER  AAA  255  .  ?        ?     ?  ?     
163  1  1  A  186  GLU  AAA  256  .  ?        ?     ?  ?     
164  1  1  A  187  LEU  AAA  257  .  ?        ?     ?  ?     
165  1  1  A  188  TYR  AAA  258  .  ?        ?     ?  ?     
166  1  1  A  189  GLU  AAA  259  .  ?        ?     ?  ?     
167  1  1  A  190  PRO  AAA  260  .  ?        ?     ?  ?     
168  1  1  A  191  GLY  AAA  261  .  ?        ?     ?  ?     
169  1  1  A  192  GLY  AAA  262  .  ?        ?     ?  ?     
170  1  1  A  193  ILE  AAA  263  .  ?        ?     ?  ?     
171  1  1  A  194  ASP  AAA  264  .  ?        ?     ?  ?     
172  1  1  A  195  THR  AAA  265  .  ?        ?     ?  ?     
173  1  1  A  196  LYS  AAA  266  .  ?        ?     ?  ?     
174  1  1  A  197  VAL  AAA  267  .  ?        ?     ?  ?     
175  1  1  A  198  TYR  AAA  268  .  ?        ?     ?  ?     
176  1  1  A  199  CYS  AAA  269  .  ?        ?     ?  ?     
177  1  1  A  200  TYR  AAA  270  .  ?        2     ?  ?     
178  1  1  A  201  TYR  AAA  271  .  ?        1     ?  ?     
179  1  1  A  202  ASN  AAA  272  .  ?        ?     ?  ?     
180  1  1  A  203  THR  AAA  273  .  ?        ?     ?  ?     
181  1  1  A  204  ALA  AAA  274  .  ?        ?     ?  ?     
182  1  1  A  205  LEU  AAA  275  .  ?        ?     ?  ?     
183  1  1  A  206  GLU  AAA  276  .  ?        ?     ?  ?     
184  1  1  A  207  SER  AAA  277  .  ?        ?     ?  ?     
185  1  1  A  208  GLU  AAA  278  .  ?        ?     ?  ?     
186  1  1  A  209  ARG  AAA  279  .  ?        ?     ?  ?     
187  1  1  A  210  SER  AAA  280  .  ?        ?     ?  ?     
188  1  1  A  211  PHE  AAA  281  .  ?        ?     ?  ?     
189  1  1  A  212  LEU  AAA  282  .  ?        ?     ?  ?     
190  1  1  A  213  ARG  AAA  283  .  ?        1     ?  ?     
191  1  1  A  214  PHE  AAA  284  .  ?        4     ?  ?     
192  1  1  A  215  LEU  AAA  285  .  ?        ?     ?  ?     
193  1  1  A  216  GLU  AAA  286  .  ?        ?     ?  ?     
194  1  1  A  217  SER  AAA  287  .  ?        ?     ?  ?     
195  1  1  A  218  ALA  AAA  288  .  ?        ?     ?  ?     
196  1  1  A  219  ARG  AAA  289  .  ?        ?     ?  ?     
197  1  1  A  220  GLN  AAA  290  .  ?        ?     ?  ?     
198  1  1  A  221  ARG  AAA  291  .  ?        5     ?  ?     
199  1  1  A  222  LEU  AAA  292  .  ?        2     ?  ?     
200  1  1  A  223  ARG  AAA  293  .  ?        ?     ?  ?     
201  1  1  A  224  GLU  AAA  294  .  ?        ?     ?  ?     
202  1  1  A  225  LEU  AAA  295  .  ?        3     ?  ?     
203  1  1  A  226  GLY  AAA  296  .  ?        ?     ?  ?     
204  1  2  B    .  Q4E  AAA  401  .  ?        1     2  Y     
205  1  3  C    .  GOL  AAA  402  .  ?        ?     ?  ?     
206  1  4  D    .  HOH  AAA  501  .  ?        ?     ?  ?     
207  1  4  D    .  HOH  AAA  502  .  ?        ?     ?  ?     
208  1  4  D    .  HOH  AAA  503  .  ?        ?     ?  ?     
209  1  4  D    .  HOH  AAA  504  .  ?        ?     ?  ?     
210  1  4  D    .  HOH  AAA  505  .  ?        ?     ?  ?     
#
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  t30           ?       ?  ?           5  148.640     8  0.91    11  0.78  molprobity  1.000  
  2    2  tp       -126.9   132.5  Favored    11  120.730     8  0.67    11  0.83  molprobity  1.000  
  3    3  mtp85    -107.3   128.4  Favored    13  122.610    11  0.62    14  0.80  molprobity  1.000  
  4    4  t        -129.8   135.5  Favored     9   98.910     7  0.70    10  0.71  molprobity  1.000  
  5    5  tt       -118.8   120.8  Favored    11  104.710     8  0.31    11  1.04  molprobity  1.000  
  6    6  mp       -114.1   122.2  Favored    11  108.210     8  0.44    11  0.80  molprobity  1.000  
  7    7  p30       -74.0   163.8  Favored     4   99.450     8  0.95    11  1.36  molprobity  1.000  
  8    8  p         -79.2     8.3  Favored     7  103.380     7  0.42    10  0.93  molprobity  1.000  
  9    9  ?         -98.1   -16.2  Favored     5  107.000     5  1.03     7  0.99  molprobity  1.000  
 10   10  mm        -78.7   117.1  Favored    11  117.650     8  0.73    12  0.66  molprobity  1.000  
 11   11  Cg_exo    -52.5   139.1  Favored     7  119.470     8  0.37    12  0.81  molprobity  1.000  
 12   12  Cg_endo   -74.5   -12.8  Favored     7  139.860     8  0.47    11  0.76  molprobity  1.000  
 13   13  p         -57.2   -53.1  Favored     5  138.570     6  1.05     8  0.63  molprobity  1.000  
 14   14  t80       -47.5   -48.5  Favored     9  130.960    12  0.60    16  1.07  molprobity  1.000  
 15   15  m         -52.5   -16.0  Allowed     5  155.720     6  0.70     8  1.34  molprobity  1.000  
 16   16  m-20      -87.5   -39.2  Favored     4  178.180     8  0.94    11  1.46  molprobity  1.000  
 17   17  p         -49.4   -56.6  Favored     7  165.850     7  0.88    10  0.91  molprobity  1.000  
 18   18  m         -54.6   -53.6  Favored     9  155.840     7  1.04    10  0.81  molprobity  1.000  
 19   19  p         -58.3   -40.0  Favored     5  144.750     6  0.77     8  1.27  molprobity  1.000  
 20   20  p         -67.1   -26.4  Favored     5  165.100     6  0.90     8  1.80  molprobity  1.000  
 21   21  t         -87.8   -53.7  Favored     9  140.610     7  0.66    10  1.13  molprobity  1.000  
 22   22  mt        -59.7   -29.3  Favored    11  134.420     8  0.55    11  0.97  molprobity  1.000  
 23   23  mt        -81.5   -21.6  Favored    11  157.660     8  0.81    11  0.71  molprobity  1.000  
 24   24  m-20      -53.8   -47.0  Favored     4  179.210     8  0.77    11  0.88  molprobity  1.000  
 25   25  m-20      -95.6   -41.7  Favored     4  152.450     8  0.57    11  0.55  molprobity  1.000  
 26   26  m-85     -107.2   155.5  Favored     9  133.630    12  0.63    16  0.64  molprobity  1.000  
 27   27  m-20      -91.9   -41.4  Favored     6  146.050     8  0.51    11  1.15  molprobity  1.000  
 28   28  ttt      -126.7   126.8  Favored     9  125.500     8  0.49    10  0.69  molprobity  1.000  
 29   29  t        -128.2   112.6  Favored     9  100.940     7  0.71    10  0.96  molprobity  1.000  
 30   30  m         -99.2   116.2  Favored     5  117.060     6  0.78     8  0.88  molprobity  1.000  
 31   31  mt        -92.0   126.4  Favored    11  105.370     8  0.64    11  0.62  molprobity  1.000  
 32   32  mt       -126.9   117.5  Favored    11  106.020     8  0.67    11  0.62  molprobity  1.000  
 33   33  mmm-85    -81.2   145.0  Favored    13  114.740    11  0.44    14  1.42  molprobity  1.000  
 34   34  t        -152.4   153.2  Favored     7  107.520     7  0.57    10  0.84  molprobity  1.000  
 35   35  t         -56.9   143.2  Favored     5  104.790     6  0.91     9  0.79  molprobity  1.000  
 36   36  Cg_exo    -53.4   -29.3  Favored     7   98.100     8  0.39    11  0.83  molprobity  1.000  
 37   37  ?         -70.2   -18.1  Favored     5  102.920     5  1.08     7  0.60  molprobity  1.000  
 38   38  m-20     -112.6   -13.6  Favored     4  104.700     8  0.56    11  1.24  molprobity  1.000  
 39   39  p         -54.0   -64.9  Allowed     5  101.030     6  1.16     8  0.74  molprobity  1.000  
 40   40  mt        -64.5   -48.7  Favored    11  108.810     8  0.74    11  0.73  molprobity  1.000  
 41   41  ?         -40.2   -50.3  Favored     5  114.450     5  0.76     7  1.03  molprobity  1.000  
 42   42  m         -61.8   -57.1  Favored     7  106.170     7  0.67    10  0.92  molprobity  1.000  
 43   43  pt        -62.7   -21.7  Favored    11  123.120     8  0.71    11  0.75  molprobity  1.000  
 44   44  mtmt      -76.2   -16.8  Favored    13  141.260     9  0.58    11  1.07  molprobity  1.000  
 45   45  mt-30     -80.8   111.3  Favored     8  153.390     9  0.77    12  0.49  molprobity  1.000  
 46   46  OUTLIER   -62.9   -42.6  Favored     4  167.390     8  0.61    11  0.83  molprobity  1.000  
 47   47  p-10      -51.2   -26.1  Favored     6  150.570     8  0.58    11  0.77  molprobity  1.000  
 48   48  ?         -70.2   -21.7  Favored     5  125.850     5  0.82     7  0.48  molprobity  1.000  
 49   49  mt-10      50.8    39.1  Favored     6  142.770     9  0.59    12  0.70  molprobity  1.000  
 50   50  mm        -73.4   139.1  Favored    11  106.160     8  0.68    11  0.89  molprobity  1.000  
 51   51  m-20     -114.4   -16.3  Favored     4  107.270     8  0.74    11  0.60  molprobity  1.000  
 52   52  mt       -153.1   131.7  Favored    11   98.540     8  0.54    11  0.70  molprobity  1.000  
 53   53  ?        -123.2   123.7  Favored     5   96.890     5  0.60     7  1.35  molprobity  1.000  
 54   54  mm        -96.3   109.9  Favored    11   97.800     8  0.64    11  0.81  molprobity  1.000  
 55   55  t        -146.1   155.8  Favored     7   94.720     7  0.56    10  0.78  molprobity  1.000  
 56   56  pt        -83.7   -17.8  Favored    11   94.120     8  0.91    11  0.58  molprobity  1.000  
 57   57  t0        -70.0   145.9  Favored     4   99.650     8  0.62    11  0.95  molprobity  1.000  
 58   58  pt-20    -119.3   142.2  Favored     6  123.900     9  0.66    12  0.63  molprobity  1.000  
 59   59  tt0      -147.8   135.1  Favored     6  120.550     9  0.78    12  1.26  molprobity  1.000  
 60   60  pp        -31.7   -58.5  Allowed    11  179.540     8  0.68    11  0.86  molprobity  1.000  
 61   61  ttmt     -176.4   146.2  Allowed    13  162.050     9  0.58    11  1.29  molprobity  1.000  
 62   62  mm       -124.7   148.5  Favored    11  136.880     8  0.92    11  1.07  molprobity  1.000  
 63   63  m         -63.8   131.7  Favored     5  138.770     6  0.94     8  0.77  molprobity  1.000  
 64   64  mtm-85     58.6    33.3  Favored    13  192.650    11  0.70    14  1.48  molprobity  1.000  
 65   65  m-85     -148.2   121.1  Favored     9  120.350    12  0.69    16  0.92  molprobity  1.000  
 66   66  m-20      -97.3   152.4  Favored     6  127.190     8  0.63    11  0.68  molprobity  1.000  
 67   67  tt0      -111.9   144.0  Favored     8  112.520     9  0.59    12  1.58  molprobity  1.000  
 68   68  p        -147.7   176.1  Favored     5  103.560     6  0.74     8  0.94  molprobity  1.000  
 69   69  t        -106.5   120.8  Favored     9  105.860     7  0.62    10  1.15  molprobity  1.000  
 70   70  mt        -80.4   -42.0  Favored    11  119.320     8  0.82    11  0.71  molprobity  1.000  
 71   71  ?         174.1  -152.0  Favored     3  108.320     4  0.68     5  1.50  molprobity  1.000  
 72   72  m-85     -126.3   156.2  Favored     9  123.880    13  0.45    18  1.05  molprobity  1.000  
 73   73  t        -149.8   161.1  Favored     7  107.420     7  0.69    10  0.87  molprobity  1.000  
 74   74  mmtt     -102.7   153.4  Favored    13  118.280     9  0.59    11  0.85  molprobity  1.000  
 75   75  ?        -145.8   143.1  Favored     5   97.240     5  0.64     7  1.04  molprobity  1.000  
 76   76  m-85     -120.6   148.5  Favored     9  104.920    12  0.45    16  0.78  molprobity  1.000  
 77   77  t         -80.7   119.6  Favored     9  103.710     7  0.55    10  0.89  molprobity  1.000  
 78   78  m        -119.8   153.1  Favored     9  101.540     7  0.88    10  1.03  molprobity  1.000  
 79   79  ?        -152.2   170.0  Favored     5  121.100     5  1.23     7  0.78  molprobity  1.000  
 80   80  t60       -62.3   132.9  Favored     7  148.540    11  0.54    16  0.70  molprobity  1.000  
 81   81  Cg_exo    -54.6   -17.2  Favored     7  115.840     8  0.48    11  1.03  molprobity  1.000  
 82   82  mm-40     -87.3   -12.8  Favored     8  161.250     9  0.50    12  0.81  molprobity  1.000  
 83   83  t-80      -50.2   137.6  Favored     7  131.840    11  0.59    16  0.50  molprobity  1.000  
 84   84  Cg_exo    -43.9   -28.3  Favored     7  138.780     8  0.53    11  0.73  molprobity  1.000  
 85   85  mt        -89.4   -15.0  Favored    11  143.940     8  0.51    11  0.71  molprobity  1.000  
 86   86  m         -66.3   109.2  Favored     5  158.290     6  0.59     8  1.33  molprobity  1.000  
 87   87  OUTLIER    72.5   -56.7  Allowed     6  200.200     8  0.67    11  0.84  molprobity  1.000  
 88   88  ?         -58.6   -41.2  Favored     5  215.290     5  0.68     7  0.97  molprobity  1.000  
 89   89  m        -120.2    13.3  Favored     5  218.890     6  0.99     8  0.46  molprobity  1.000  
 90   90  tt        -58.2   -50.5  Favored    11  227.020     8  0.72    11  0.85  molprobity  1.000  
 91   91  p80       -56.0   -23.4  Favored     7  241.300    11  0.51    15  0.84  molprobity  1.000  
 92   92  m         -60.9   -46.1  Favored     5  239.470     6  1.08     8  1.35  molprobity  1.000  
 93   93  mm         67.1   -59.0  Allowed    11  218.850     8  0.74    11  0.76  molprobity  1.000  
 94   94  ?         -82.1     1.4  Favored     5  178.670     5  0.88     7  0.74  molprobity  1.000  
 95   95  m         -59.2   -31.2  Favored     5  164.100     6  1.02     8  0.85  molprobity  1.000  
 96   96  mt        -40.0   -36.9  Allowed    11  118.980     8  0.66    11  0.90  molprobity  1.000  
 97   97  ?         -64.3   -18.2  Favored     5  126.110     5  0.91     7  0.92  molprobity  1.000  
 98   98  m-20     -101.4   -23.4  Favored     6  128.430     8  0.54    11  0.95  molprobity  1.000  
 99   99  m-85      -96.6   159.1  Favored     9  144.720    13  0.67    18  0.86  molprobity  1.000  
100  100  ttm-85    -73.9   131.3  Favored    13  125.430    11  0.92    14  1.50  molprobity  1.000  
101  101  tt0       -99.0   135.4  Favored     8  110.330     9  0.57    12  0.89  molprobity  1.000  
102  102  mm        -92.1    97.4  Favored    11  109.300     8  0.76    11  0.75  molprobity  1.000  
103  103  m        -102.1   147.8  Favored     5  115.950     6  0.67     8  0.81  molprobity  1.000  
104  104  mt        -65.0   122.9  Favored    11  112.360     8  0.51    11  0.76  molprobity  1.000  
105  105  ?         -71.6   157.5  Favored     3  104.910     4  1.04     5  1.14  molprobity  1.000  
106  106  p        -112.1   136.9  Favored     5  117.330     6  0.82     8  0.81  molprobity  1.000  
107  107  OUTLIER   -49.8   -41.6  Favored    13  146.700    11  0.56    14  1.08  molprobity  1.000  
108  108  OUTLIER   -69.7   -15.4  Favored     5  116.770     6  0.60     8  0.90  molprobity  1.000  
109  109  ?          83.3   -21.0  Favored     3  137.450     4  0.73     5  0.97  molprobity  1.000  
110  110  pt20     -110.2   160.2  Favored     8  150.760     9  0.60    12  1.01  molprobity  1.000  
111  111  m80      -131.7   152.9  Favored     7  113.500    11  0.63    15  0.56  molprobity  1.000  
112  112  p         -66.0   168.0  Favored     5  113.970     6  0.89     8  1.08  molprobity  1.000  
113  113  m-20      -54.2   -48.4  Favored     6  117.150     8  0.64    11  0.92  molprobity  1.000  
114  114  tp        -55.8   -47.9  Favored    11  102.010     8  0.42    11  0.86  molprobity  1.000  
115  115  mt       -108.9    -8.3  Favored    11  106.360     8  1.15    11  0.76  molprobity  1.000  
116  116  ttp-105   -49.9   133.2  Favored    13  143.250    11  0.54    15  1.16  molprobity  1.000  
117  117  Cg_endo   -60.9   153.8  Favored     7  108.810     8  0.61    11  0.63  molprobity  1.000  
118  118  m        -107.4   -32.2  Favored     9  108.200     7  0.74    10  0.96  molprobity  1.000  
119  119  m         -78.8   154.4  Favored     5  125.370     6  1.09     8  0.65  molprobity  1.000  
120  120  m-20      -78.0   -37.0  Favored     4  153.150     8  0.57    11  1.00  molprobity  1.000  
121  121  ptpt      -83.1   100.6  Favored    13  136.140     9  0.67    11  1.43  molprobity  1.000  
122  122  t        -114.6   146.8  Favored     9  122.630     7  0.61    10  0.85  molprobity  1.000  
123  123  tp       -135.3   106.2  Favored    11  123.550     8  0.41    11  0.89  molprobity  1.000  
124  124  m-85      -75.5   146.3  Favored     9  106.240    12  0.53    16  0.62  molprobity  1.000  
125  125  m        -138.4   170.1  Favored     9  110.710     7  0.97    10  0.81  molprobity  1.000  
126  126  mt-10     -86.9   -34.0  Favored     6  141.030     9  0.60    12  0.80  molprobity  1.000  
127  127  p30      -147.0   169.3  Favored     6  115.520     8  0.55    11  0.87  molprobity  1.000  
128  128  m-85      -71.0   -24.3  Favored     9  108.100    12  0.51    16  0.57  molprobity  1.000  
129  129  m-20      -64.7   -61.7  Favored     4  138.650     8  0.72    11  0.68  molprobity  1.000  
130  130  m-20      -45.7   -48.7  Favored     4  120.350     8  0.46    11  0.98  molprobity  1.000  
131  131  ttm       -52.5   -55.9  Favored     9  108.180     8  0.54    10  0.83  molprobity  1.000  
132  132  mt        -73.1   -33.6  Favored    11  125.410     8  0.52    11  0.64  molprobity  1.000  
133  133  ttm105    -51.7   -57.4  Favored    13  148.900    11  0.59    14  1.15  molprobity  1.000  
134  134  mt        -58.0   -35.2  Favored    11  109.920     8  0.64    11  0.65  molprobity  1.000  
135  135  t         -74.6   -33.8  Favored     9  122.260     7  0.98    10  1.18  molprobity  1.000  
136  136  mt-10     -67.2   -38.4  Favored     6  143.360     9  0.94    12  1.02  molprobity  1.000  
137  137  ?         -68.8     1.7  Favored     5  117.350     5  0.75     7  0.87  molprobity  1.000  
138  138  ?          68.7    14.7  Favored     3  109.930     4  0.69     5  1.22  molprobity  1.000  
139  139  t         -71.1   -34.8  Favored     9  112.720     7  1.00    10  0.65  molprobity  1.000  
140  140  ?        -171.3  -175.3  Favored     3  136.590     4  0.79     5  0.96  molprobity  1.000  
141  141  p-90      -99.9   161.9  Favored    10  105.920    16  0.57    23  0.70  molprobity  1.000  
142  142  ?        -156.4   161.2  Favored     3  104.700     4  0.75     5  1.24  molprobity  1.000  
143  143  mt        -99.8   114.8  Favored    11  113.900     8  0.73    11  0.67  molprobity  1.000  
144  144  ?        -124.1   154.1  Favored     5  100.190     5  0.65     8  0.90  molprobity  1.000  
145  145  Cg_exo    -55.9   159.9  Favored     7   97.990     8  0.56    11  0.55  molprobity  1.000  
146  146  t60       -66.1   -47.1  Favored     7  116.760    11  0.59    15  0.47  molprobity  1.000  
147  147  p90       -59.1   -25.3  Favored     9  112.090    13  0.53    18  1.13  molprobity  1.000  
148  148  m-85      -83.6   -22.2  Favored     9  115.410    12  0.59    16  0.82  molprobity  1.000  
149  149  m        -114.7     2.4  Favored     9  117.030     7  0.84    10  0.55  molprobity  1.000  
150  150  tp10      -52.9   -67.6  Allowed     6  161.800     9  0.64    12  0.97  molprobity  1.000  
151  151  tt0       -51.3   -62.1  Allowed     6  167.060     9  0.55    12  0.61  molprobity  1.000  
152  152  mtt85     -54.1   -30.6  Favored    13  137.040    11  0.51    14  1.08  molprobity  1.000  
153  153  mt        -75.5   -39.8  Favored    11  142.020     8  0.69    11  0.69  molprobity  1.000  
154  154  mtm105    -61.5   -47.5  Favored    13  166.910    11  0.66    14  1.29  molprobity  1.000  
155  155  m-20      -63.8   -22.5  Favored     6  142.670     8  0.54    11  0.97  molprobity  1.000  
156  156  ?          80.0    -1.8  Favored     3  127.690     4  1.59     5  0.92  molprobity  1.000  
157  157  m         -51.5   -39.8  Favored     7  136.530     7  0.68    10  1.03  molprobity  1.000  
158  158  mt       -125.2   152.6  Favored    11  121.070     8  0.97    11  0.95  molprobity  1.000  
159  159  ?        -127.2   142.6  Favored     5  128.170     5  0.84     7  0.83  molprobity  1.000  
160  160  t         -75.4   133.9  Favored     9  111.490     7  0.77    10  0.70  molprobity  1.000  
161  161  mt       -104.0   -16.5  Favored    11  114.330     8  0.58    11  0.79  molprobity  1.000  
162  162  p         -83.8    -4.7  Favored     5  116.580     6  0.92     8  0.93  molprobity  1.000  
163  163  tp10      -65.6   -38.4  Favored     6  132.440     9  0.96    12  0.65  molprobity  1.000  
164  164  tt        -72.8   -35.2  Favored    11  141.640     8  0.57    11  0.72  molprobity  1.000  
165  165  t80       -63.8   -48.5  Favored     9  103.420    13  0.70    18  0.71  molprobity  1.000  
166  166  tt0      -149.9    94.1  Favored     6  104.180     9  0.65    13  0.51  molprobity  1.000  
167  167  Cg_exo    -49.0   135.3  Favored     7  111.210     8  0.40    11  0.94  molprobity  1.000  
168  168  ?          95.3     1.7  Favored     3  107.530     4  0.73     5  0.73  molprobity  1.000  
169  169  ?          92.6   163.7  Favored     3  115.560     4  1.20     5  1.03  molprobity  1.000  
170  170  mt        -82.3   110.6  Favored    11  100.970     8  0.58    11  0.67  molprobity  1.000  
171  171  OUTLIER   -70.7   134.0  Favored     4  127.560     8  0.61    11  1.23  molprobity  1.000  
172  172  m        -135.4   120.5  Favored     7  103.130     7  0.39    10  0.78  molprobity  1.000  
173  173  mttt      -66.4   143.7  Favored    13  103.720     9  0.71    11  0.96  molprobity  1.000  
174  174  t        -103.6   116.0  Favored     9   93.670     7  0.64    10  0.87  molprobity  1.000  
175  175  m-85      -91.8   147.6  Favored     9  102.110    13  0.53    18  0.72  molprobity  1.000  
176  176  t        -108.9   108.1  Favored     5  103.120     6  0.43     8  0.69  molprobity  1.000  
177  177  m-85      -91.7   124.3  Favored     9  111.040    13  0.42    18  0.79  molprobity  1.000  
178  178  p90      -134.6   130.2  Favored     9  122.020    13  0.42    18  0.70  molprobity  1.000  
179  179  t-20      -50.5   133.9  Favored     6  140.930     8  0.59    11  1.21  molprobity  1.000  
180  180  t         -57.1   -37.3  Favored     7  146.940     7  0.67    10  1.49  molprobity  1.000  
181  181  ?         -42.3   -40.2  Favored     5  135.140     5  0.81     7  0.85  molprobity  1.000  
182  182  mp        -76.2   -13.6  Favored    11  143.210     8  0.87    11  0.83  molprobity  1.000  
183  183  tt0       -60.0   -20.4  Favored     6  186.650     9  0.70    12  0.95  molprobity  1.000  
184  184  p         -96.5   -47.5  Favored     5  180.800     6  0.79     8  0.84  molprobity  1.000  
185  185  mp0       -68.3   132.3  Favored     6  167.510     9  0.67    12  0.81  molprobity  1.000  
186  186  ptt-85    -55.7   -25.8  Favored    13  186.500    11  0.59    14  1.11  molprobity  1.000  
187  187  p         -52.5   -53.7  Favored     5  150.820     6  1.25     8  0.79  molprobity  1.000  
188  188  t80       -58.2   -50.8  Favored     9  141.170    12  0.50    16  0.62  molprobity  1.000  
189  189  mp        -56.6   -38.2  Favored    11  144.250     8  1.03    11  0.72  molprobity  1.000  
190  190  mtp-105   -61.3   -43.0  Favored    13  182.650    11  1.03    14  1.76  molprobity  1.000  
191  191  t80       -63.2   -52.3  Favored     9  124.030    12  0.63    16  0.71  molprobity  1.000  
192  192  mt        -52.2   -57.9  Favored    11  119.610     8  0.76    11  0.76  molprobity  1.000  
193  193  tp10      -48.2   -58.3  Favored     6  167.260     9  1.02    12  0.60  molprobity  1.000  
194  194  p         -58.1   -53.6  Favored     5  154.890     6  1.14     8  0.88  molprobity  1.000  
195  195  ?         -57.2   -37.4  Favored     5  119.780     5  1.78     7  0.97  molprobity  1.000  
196  196  mtt85     -69.9   -54.8  Favored    13  123.970    11  0.56    14  0.91  molprobity  1.000  
197  197  mt-30     -54.6   -52.5  Favored     8  173.340     9  0.65    12  0.80  molprobity  1.000  
198  198  mmm-85    -64.4   -23.0  Favored    13  184.650    11  0.79    14  1.57  molprobity  1.000  
199  199  tt        -97.3   -21.7  Favored    11  160.830     8  0.97    11  0.93  molprobity  1.000  
200  200  mtm-85    -55.6   -49.5  Favored    13  165.400    11  0.94    14  1.34  molprobity  1.000  
201  201  pt-20     -82.4    -4.5  Favored     6  163.490     9  0.52    12  0.60  molprobity  1.000  
202  202  tt        -85.6    -3.3  Favored    11  138.130     8  0.67    11  1.02  molprobity  1.000  
203  203  ?             ?       ?  ?           3  144.600     3  1.13     2  0.07  molprobity  1.000  
204  204  ?             ?       ?  ?           ?  108.850    21  0.61    28  1.16  mogul       1.000  
205  205  ?             ?       ?  ?           8  160.510     5  0.12     5  0.32  mogul       1.000  
206  206  ?             ?       ?  ?           ?  111.600     ?     ?     ?     ?  ?           1.000  
207  207  ?             ?       ?  ?           ?   91.400     ?     ?     ?     ?  ?           1.000  
208  208  ?             ?       ?  ?           ?   97.270     ?     ?     ?     ?  ?           1.000  
209  209  ?             ?       ?  ?           ?   92.470     ?     ?     ?     ?  ?           1.000  
210  210  ?             ?       ?  ?           ?   98.860     ?     ?     ?     ?  ?           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    3  HD3    1  0.45  2.16  
  2    5  HD21   2  0.47  2.43  
  3    5  C      3  0.41  2.41  
  4    5  HD23   3  0.41  2.41  
  5    6  HD22   4  0.53  2.48  
  6    7  OD2    5  0.44  2.18  
  7    7  HA     6  0.42  2.19  
  8    7  OD1    7  0.41  2.59  
  9    7  C      7  0.41  2.59  
 10    8  HG23   8  0.55  2.07  
 11   13  OG     9  0.65  1.95  
 12   14  C     10  0.59  2.75  
 13   14  CD1   10  0.59  2.75  
 14   14  HD2   11  0.53  1.74  
 15   14  CD2   12  0.52  2.45  
 16   14  CE1   13  0.40  2.55  
 17   14  CE1   14  0.40  3.05  
 18   15  SG     4  0.53  2.48  
 19   17  HA    15  0.86  1.91  
 20   17  HA    16  0.74  2.18  
 21   17  HG22  17  0.54  1.72  
 22   17  HG22  18  0.43  2.31  
 23   17  CG2   19  0.44  2.47  
 24   18  HG12  20  0.96  1.30  
 25   18  HG12  21  0.79  2.18  
 26   18  CG1   22  0.76  1.98  
 27   18  CG1   14  0.40  3.05  
 28   18  HG23  23  0.54  2.23  
 29   18  HG13  13  0.40  2.55  
 30   18  CG2   24  0.40  2.84  
 31   19  N     23  0.54  2.23  
 32   19  N     24  0.40  2.84  
 33   21  HG11  25  0.46  1.96  
 34   25  OD2   26  0.55  2.38  
 35   34  O      8  0.55  2.07  
 36   34  O      6  0.42  2.19  
 37   34  CG2    2  0.47  2.43  
 38   40  HD21  27  0.40  2.56  
 39   40  HD21  28  0.40  2.56  
 40   46  OD1   29  0.69  2.25  
 41   46  N     29  0.69  2.25  
 42   49  O      1  0.45  2.16  
 43   55  HA     5  0.44  2.18  
 44   60  HD12  30  0.94  1.81  
 45   60  HD12  31  0.50  2.41  
 46   60  HD12  32  0.49  1.74  
 47   60  CD1   33  0.47  2.65  
 48   61  N     30  0.94  1.81  
 49   61  N     33  0.47  2.65  
 50   61  CA    31  0.50  2.41  
 51   61  H     32  0.49  1.74  
 52   66  HB2   34  0.50  2.47  
 53   70  HD23  35  0.40  1.90  
 54   70  HA    35  0.40  1.90  
 55   72  CD1   36  0.50  2.79  
 56   72  N     36  0.50  2.79  
 57   80  O     37  0.63  1.98  
 58   80  CD2   38  0.40  2.56  
 59   82  HG2   38  0.40  2.56  
 60   83  HB2   37  0.63  1.98  
 61   83  ND1   39  0.49  2.28  
 62   84  HD2   39  0.49  2.28  
 63   85  HD23  40  0.43  2.01  
 64   87  H     41  0.54  1.72  
 65   87  N     42  0.46  2.30  
 66   89  O     43  0.54  2.08  
 67   89  HB2   40  0.43  2.01  
 68   90  HB2   41  0.54  1.72  
 69   90  HB2   42  0.46  2.30  
 70   90  C     44  0.50  2.31  
 71   90  HD23  44  0.50  2.31  
 72   92  HB2   43  0.54  2.08  
 73  104  HD11  45  0.53  2.42  
 74  118  HG11  46  0.55  2.37  
 75  127  OD1   47  0.43  2.18  
 76  128  CZ    45  0.53  2.42  
 77  128  CE1   48  0.42  2.55  
 78  129  HB2   47  0.43  2.18  
 79  136  HG2   49  0.52  1.91  
 80  136  OE1   50  0.47  2.40  
 81  145  HD3   48  0.42  2.55  
 82  152  NE    50  0.47  2.40  
 83  157  HG22  49  0.52  1.91  
 84  177  CZ    27  0.40  2.56  
 85  177  CE1   28  0.40  2.56  
 86  178  CZ    34  0.50  2.47  
 87  190  NH1   26  0.55  2.38  
 88  191  HE1   20  0.96  1.30  
 89  191  HE1   22  0.76  1.98  
 90  191  CE1   21  0.79  2.18  
 91  191  HA    25  0.46  1.96  
 92  198  NH2   15  0.86  1.91  
 93  198  CZ    16  0.74  2.18  
 94  198  HE    17  0.54  1.72  
 95  198  HB3   19  0.44  2.47  
 96  198  NE    18  0.43  2.31  
 97  199  HD12  11  0.53  1.74  
 98  199  HD12  12  0.52  2.45  
 99  202  HD11   9  0.65  1.95  
100  202  O     51  0.56  2.06  
101  202  HD23  51  0.56  2.06  
102  204  C1    46  0.55  2.37  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  204  C7   C6   C16  125.02  129.62   22  1.50  -3.06  2.18  
2  204  C13  C14  C15  123.20  118.37  278  1.93   2.50  0.25  
#
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   8  0.731  0.250   0.791  
  2    2   8  0.988  0.294   0.958  
  3    3  11  0.899  0.230   0.041  
  4    4   7  0.995  0.315   1.376  
  5    5   8  0.990  0.298   1.006  
  6    6   8  0.992  0.383   2.038  
  7    7   8  0.987  0.178  -0.176  
  8    8   7  0.971  0.249   0.888  
  9    9   5  0.973  0.302   1.464  
 10   10   8  0.972  0.303   1.115  
 11   11   7  0.985  0.251   0.862  
 12   12   7  0.973  0.252   0.875  
 13   13   6  0.975  0.184   0.085  
 14   14  11  0.973  0.390   2.170  
 15   15   6  0.974  0.320   2.533  
 16   16   8  0.855  0.186  -0.077  
 17   17   7  0.907  0.308   1.691  
 18   18   7  0.987  0.344   1.733  
 19   19   6  0.901  0.231   0.713  
 20   20   6  0.897  0.163  -0.195  
 21   21   7  0.985  0.226   0.282  
 22   22   8  0.988  0.447   2.814  
 23   23   8  0.924  0.411   2.377  
 24   24   8  0.911  0.238   0.569  
 25   25   8  0.877  0.172  -0.251  
 26   26  11  0.941  0.373   1.966  
 27   27   8  0.889  0.264   0.975  
 28   28   8  0.950  0.203   0.154  
 29   29   7  0.986  0.398   2.397  
 30   30   6  0.922  0.211   0.446  
 31   31   8  0.994  0.365   1.819  
 32   32   8  0.980  0.334   1.495  
 33   33  11  0.925  0.197  -0.309  
 34   34   7  0.974  0.212   0.385  
 35   35   6  0.975  0.197   0.259  
 36   36   7  0.987  0.279   1.220  
 37   37   5  0.923  0.211   0.338  
 38   38   8  0.963  0.194   0.022  
 39   39   6  0.968  0.211   0.446  
 40   40   8  0.972  0.315   1.212  
 41   41   5  0.987  0.178  -0.071  
 42   42   7  0.980  0.185   0.018  
 43   43   8  0.966  0.315   1.262  
 44   44   9  0.921  0.192  -0.518  
 45   45   9  0.948  0.138  -0.871  
 46   46   8  0.941  0.097  -1.183  
 47   47   8  0.959  0.135  -0.720  
 48   48   5  0.983  0.202   0.226  
 49   49   9  0.945  0.158  -0.731  
 50   50   8  0.965  0.349   1.679  
 51   51   8  0.873  0.220   0.345  
 52   52   8  0.996  0.297   1.042  
 53   53   5  0.996  0.250   0.821  
 54   54   8  0.991  0.358   1.789  
 55   55   7  0.983  0.243   0.807  
 56   56   8  0.989  0.284   0.882  
 57   57   8  0.977  0.194   0.022  
 58   58   9  0.949  0.239   0.157  
 59   59   9  0.893  0.131  -1.027  
 60   60   8  0.892  0.313   1.188  
 61   61   9  0.912  0.262   0.185  
 62   62   8  0.937  0.319   1.311  
 63   63   6  0.950  0.151  -0.355  
 64   64  11  0.830  0.431   2.173  
 65   65  11  0.908  0.318   1.308  
 66   66   8  0.949  0.235   0.594  
 67   67   9  0.960  0.332   1.441  
 68   68   6  0.985  0.165   0.088  
 69   69   7  0.991  0.274   0.872  
 70   70   8  0.984  0.363   1.795  
 71   71   4  0.978  0.157  -0.192  
 72   72  12  0.915  0.314   1.510  
 73   73   7  0.932  0.235   0.698  
 74   74   9  0.965  0.234  -0.096  
 75   75   5  0.987  0.177  -0.083  
 76   76  11  0.986  0.304   1.140  
 77   77   7  0.991  0.335   1.622  
 78   78   7  0.988  0.233   0.368  
 79   79   5  0.975  0.264   0.994  
 80   80  10  0.949  0.184  -0.078  
 81   81   7  0.968  0.173  -0.137  
 82   82   9  0.901  0.259   0.571  
 83   83  10  0.965  0.238   0.627  
 84   84   7  0.979  0.186   0.029  
 85   85   8  0.993  0.361   1.771  
 86   86   6  0.936  0.132  -0.432  
 87   87   8  0.892  0.157  -0.431  
 88   88   5  0.890  0.109  -0.925  
 89   89   6  0.759  0.226   0.646  
 90   90   8  0.887  0.308   1.127  
 91   91  10  0.826  0.278   1.149  
 92   92   6  0.833  0.124  -0.716  
 93   93   8  0.916  0.264   0.637  
 94   94   5  0.969  0.182  -0.021  
 95   95   6  0.920  0.172  -0.075  
 96   96   8  0.983  0.480   3.215  
 97   97   5  0.961  0.203   0.239  
 98   98   8  0.956  0.169  -0.273  
 99   99  12  0.950  0.277   1.026  
100  100  11  0.933  0.183  -0.457  
101  101   9  0.953  0.136  -0.895  
102  102   8  0.990  0.281   0.846  
103  103   6  0.971  0.185   0.099  
104  104   8  0.987  0.218   0.035  
105  105   4  0.964  0.147  -0.309  
106  106   6  0.963  0.126  -0.689  
107  107  11  0.932  0.165  -0.648  
108  108   6  0.983  0.137  -0.542  
109  109   4  0.974  0.108  -0.766  
110  110   9  0.947  0.217   0.070  
111  111  10  0.944  0.161  -0.379  
112  112   6  0.959  0.128  -0.662  
113  113   8  0.954  0.164  -0.339  
114  114   8  0.972  0.306   1.103  
115  115   8  0.959  0.243   0.339  
116  116  11  0.907  0.270   0.466  
117  117   7  0.943  0.195   0.145  
118  118   7  0.967  0.255   0.638  
119  119   6  0.944  0.176  -0.021  
120  120   8  0.967  0.123  -0.860  
121  121   9  0.910  0.215  -0.287  
122  122   7  0.943  0.260   0.700  
123  123   8  0.975  0.383   2.038  
124  124  11  0.957  0.224   0.182  
125  125   7  0.973  0.237   0.417  
126  126   9  0.928  0.231   0.069  
127  127   8  0.958  0.167  -0.300  
128  128  11  0.980  0.319   1.320  
129  129   8  0.946  0.166  -0.325  
130  130   8  0.924  0.179  -0.164  
131  131   8  0.991  0.172  -0.238  
132  132   8  0.991  0.367   1.843  
133  133  11  0.938  0.359   1.409  
134  134   8  0.971  0.329   1.382  
135  135   7  0.979  0.200  -0.038  
136  136   9  0.936  0.160  -0.709  
137  137   5  0.969  0.229   0.561  
138  138   4  0.971  0.115  -0.684  
139  139   7  0.980  0.355   1.868  
140  140   4  0.981  0.121  -0.614  
141  141  14  0.984  0.228   0.479  
142  142   4  0.980  0.170  -0.040  
143  143   8  0.979  0.282   0.858  
144  144   5  0.992  0.262   0.969  
145  145   7  0.992  0.256   0.926  
146  146  10  0.960  0.228   0.496  
147  147  12  0.961  0.250   0.673  
148  148  11  0.964  0.300   1.092  
149  149   7  0.981  0.342   1.708  
150  150   9  0.926  0.249   0.266  
151  151   9  0.944  0.171  -0.589  
152  152  11  0.901  0.213  -0.139  
153  153   8  0.936  0.372   1.904  
154  154  11  0.943  0.136  -0.955  
155  155   8  0.951  0.139  -0.668  
156  156   4  0.933  0.121  -0.614  
157  157   7  0.978  0.169  -0.200  
158  158   8  0.982  0.295   0.970  
159  159   5  0.986  0.258   0.920  
160  160   7  0.946  0.297   1.155  
161  161   8  0.959  0.354   1.686  
162  162   6  0.978  0.228   0.673  
163  163   9  0.965  0.137  -0.962  
164  164   8  0.963  0.372   1.904  
165  165  12  0.973  0.267   0.895  
166  166   9  0.987  0.188  -0.402  
167  167   7  0.960  0.168  -0.201  
168  168   4  0.986  0.114  -0.696  
169  169   4  0.982  0.134  -0.461  
170  170   8  0.992  0.345   1.630  
171  171   8  0.967  0.186  -0.077  
172  172   7  0.976  0.259   1.024  
173  173   9  0.950  0.321   0.777  
174  174   7  0.989  0.290   1.069  
175  175  12  0.969  0.231   0.425  
176  176   6  0.988  0.183   0.372  
177  177  12  0.981  0.343   1.889  
178  178  12  0.967  0.244   0.595  
179  179   8  0.914  0.205   0.200  
180  180   7  0.970  0.135  -0.663  
181  181   5  0.972  0.161  -0.281  
182  182   8  0.970  0.478   3.191  
183  183   9  0.925  0.249   0.266  
184  184   6  0.951  0.074  -1.383  
185  185   9  0.885  0.182  -0.468  
186  186  11  0.862  0.183  -0.457  
187  187   6  0.964  0.189   0.152  
188  188  11  0.979  0.344   1.619  
189  189   8  0.982  0.255   0.484  
190  190  11  0.941  0.286   0.635  
191  191  11  0.985  0.311   1.224  
192  192   8  0.993  0.293   0.945  
193  193   9  0.961  0.223  -0.019  
194  194   6  0.982  0.215   0.499  
195  195   5  0.985  0.261   0.957  
196  196  11  0.980  0.214  -0.128  
197  197   9  0.944  0.175  -0.430  
198  198  11  0.836  0.330   1.102  
199  199   8  0.955  0.328   1.370  
200  200  11  0.876  0.166  -0.637  
201  201   9  0.931  0.139  -0.940  
202  202   8  0.954  0.299   1.018  
203  203   4  0.848  0.136  -0.438  
204  204  22  0.968  0.290       ?  
205  205   6  0.723  0.196       ?  
206  206   1  0.327  0.602       ?  
207  207   1  0.337  0.414       ?  
208  208   1  0.658  0.686       ?  
209  209   1  0.883  0.439       ?  
210  210   1  0.820  0.934       ?  
#
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        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.36                                                                  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  
##
