data_1Q3T

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1Q3T
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   nmr
#
_pdbx_vrpt_summary.entry_id                    1Q3T
_pdbx_vrpt_summary.PDB_deposition_date         2003-07-31
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2022-03-02
_pdbx_vrpt_summary.report_creation_date        2022-08-20:13:03
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,coreclust,chemicalshifts,percentiles,writepdf,writexml,writecif
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Cytidylate kinase"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
_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     A
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ      0.36
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.21
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1748
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2358
#
_pdbx_vrpt_summary_geometry.ordinal                                    1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers_full_length  3.17
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers_full_length       32.97
_pdbx_vrpt_summary_geometry.clashscore_full_length                     17.24
_pdbx_vrpt_summary_geometry.num_H_reduce                               1753
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                             1748
_pdbx_vrpt_summary_geometry.bonds_RMSZ                                 0.21
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                            2358
_pdbx_vrpt_summary_geometry.angles_RMSZ                                0.36
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   14  MET  A   14  .  ?        ?  
  2  1  1  A   15  LYS  A   15  .  ?        ?  
  3  1  1  A   16  THR  A   16  .  ?        2  
  4  1  1  A   17  ILE  A   17  .  ?        2  
  5  1  1  A   18  GLN  A   18  .  ?        2  
  6  1  1  A   19  ILE  A   19  .  ?        5  
  7  1  1  A   20  ALA  A   20  .  ?        ?  
  8  1  1  A   21  ILE  A   21  .  ?        ?  
  9  1  1  A   22  ASP  A   22  .  ?        ?  
 10  1  1  A   23  GLY  A   23  .  ?        ?  
 11  1  1  A   24  PRO  A   24  .  ?        ?  
 12  1  1  A   25  ALA  A   25  .  ?        ?  
 13  1  1  A   26  SER  A   26  .  ?        ?  
 14  1  1  A   27  SER  A   27  .  ?        ?  
 15  1  1  A   28  GLY  A   28  .  ?        ?  
 16  1  1  A   29  LYS  A   29  .  ?        ?  
 17  1  1  A   30  SER  A   30  .  ?        ?  
 18  1  1  A   31  THR  A   31  .  ?        1  
 19  1  1  A   32  VAL  A   32  .  ?        ?  
 20  1  1  A   33  ALA  A   33  .  ?        ?  
 21  1  1  A   34  LYS  A   34  .  ?        ?  
 22  1  1  A   35  ILE  A   35  .  ?        2  
 23  1  1  A   36  ILE  A   36  .  ?        2  
 24  1  1  A   37  ALA  A   37  .  ?        1  
 25  1  1  A   38  LYS  A   38  .  ?        ?  
 26  1  1  A   39  ASP  A   39  .  ?        ?  
 27  1  1  A   40  PHE  A   40  .  ?        ?  
 28  1  1  A   41  GLY  A   41  .  ?        ?  
 29  1  1  A   42  PHE  A   42  .  ?        3  
 30  1  1  A   43  THR  A   43  .  ?        ?  
 31  1  1  A   44  TYR  A   44  .  ?        ?  
 32  1  1  A   45  LEU  A   45  .  ?        1  
 33  1  1  A   46  ASP  A   46  .  ?        1  
 34  1  1  A   47  THR  A   47  .  ?        ?  
 35  1  1  A   48  GLY  A   48  .  ?        ?  
 36  1  1  A   49  ALA  A   49  .  ?        2  
 37  1  1  A   50  MET  A   50  .  ?        ?  
 38  1  1  A   51  TYR  A   51  .  ?        ?  
 39  1  1  A   52  ARG  A   52  .  ?        3  
 40  1  1  A   53  ALA  A   53  .  ?        ?  
 41  1  1  A   54  ALA  A   54  .  ?        1  
 42  1  1  A   55  THR  A   55  .  ?        ?  
 43  1  1  A   56  TYR  A   56  .  ?        ?  
 44  1  1  A   57  MET  A   57  .  ?        1  
 45  1  1  A   58  ALA  A   58  .  ?        ?  
 46  1  1  A   59  LEU  A   59  .  ?        1  
 47  1  1  A   60  LYS  A   60  .  ?        ?  
 48  1  1  A   61  ASN  A   61  .  ?        1  
 49  1  1  A   62  GLN  A   62  .  ?        ?  
 50  1  1  A   63  LEU  A   63  .  ?        4  
 51  1  1  A   64  GLY  A   64  .  ?        ?  
 52  1  1  A   65  VAL  A   65  .  ?        ?  
 53  1  1  A   66  GLU  A   66  .  ?        ?  
 54  1  1  A   67  GLU  A   67  .  ?        4  
 55  1  1  A   68  VAL  A   68  .  ?        2  
 56  1  1  A   69  GLU  A   69  .  ?        1  
 57  1  1  A   70  ALA  A   70  .  ?        2  
 58  1  1  A   71  LEU  A   71  .  ?        1  
 59  1  1  A   72  LEU  A   72  .  ?        3  
 60  1  1  A   73  ALA  A   73  .  ?        ?  
 61  1  1  A   74  LEU  A   74  .  ?        1  
 62  1  1  A   75  LEU  A   75  .  ?        1  
 63  1  1  A   76  ASP  A   76  .  ?        ?  
 64  1  1  A   77  GLN  A   77  .  ?        ?  
 65  1  1  A   78  HIS  A   78  .  ?        2  
 66  1  1  A   79  PRO  A   79  .  ?        ?  
 67  1  1  A   80  ILE  A   80  .  ?        1  
 68  1  1  A   81  SER  A   81  .  ?        ?  
 69  1  1  A   82  PHE  A   82  .  ?        3  
 70  1  1  A   83  GLY  A   83  .  ?        ?  
 71  1  1  A   84  ARG  A   84  .  ?        ?  
 72  1  1  A   85  SER  A   85  .  ?        ?  
 73  1  1  A   86  GLU  A   86  .  ?        ?  
 74  1  1  A   87  THR  A   87  .  ?        ?  
 75  1  1  A   88  GLY  A   88  .  ?        ?  
 76  1  1  A   89  ASP  A   89  .  ?        ?  
 77  1  1  A   90  GLN  A   90  .  ?        ?  
 78  1  1  A   91  LEU  A   91  .  ?        ?  
 79  1  1  A   92  VAL  A   92  .  ?        1  
 80  1  1  A   93  PHE  A   93  .  ?        2  
 81  1  1  A   94  VAL  A   94  .  ?        1  
 82  1  1  A   95  GLY  A   95  .  ?        ?  
 83  1  1  A   96  ASP  A   96  .  ?        ?  
 84  1  1  A   97  VAL  A   97  .  ?        ?  
 85  1  1  A   98  ASP  A   98  .  ?        ?  
 86  1  1  A   99  ILE  A   99  .  ?        ?  
 87  1  1  A  100  THR  A  100  .  ?        ?  
 88  1  1  A  101  HIS  A  101  .  ?        1  
 89  1  1  A  102  PRO  A  102  .  ?        1  
 90  1  1  A  103  ILE  A  103  .  ?        ?  
 91  1  1  A  104  ARG  A  104  .  ?        ?  
 92  1  1  A  105  GLU  A  105  .  ?        ?  
 93  1  1  A  106  ASN  A  106  .  ?        ?  
 94  1  1  A  107  GLU  A  107  .  ?        ?  
 95  1  1  A  108  VAL  A  108  .  ?        3  
 96  1  1  A  109  THR  A  109  .  ?        ?  
 97  1  1  A  110  ASN  A  110  .  ?        ?  
 98  1  1  A  111  HIS  A  111  .  ?        1  
 99  1  1  A  112  VAL  A  112  .  ?        ?  
100  1  1  A  113  SER  A  113  .  ?        ?  
101  1  1  A  114  ALA  A  114  .  ?        ?  
102  1  1  A  115  ILE  A  115  .  ?        ?  
103  1  1  A  116  ALA  A  116  .  ?        ?  
104  1  1  A  117  ALA  A  117  .  ?        ?  
105  1  1  A  118  ILE  A  118  .  ?        1  
106  1  1  A  119  PRO  A  119  .  ?        ?  
107  1  1  A  120  GLU  A  120  .  ?        2  
108  1  1  A  121  VAL  A  121  .  ?        ?  
109  1  1  A  122  ARG  A  122  .  ?        ?  
110  1  1  A  123  GLU  A  123  .  ?        ?  
111  1  1  A  124  LYS  A  124  .  ?        1  
112  1  1  A  125  LEU  A  125  .  ?        2  
113  1  1  A  126  VAL  A  126  .  ?        ?  
114  1  1  A  127  SER  A  127  .  ?        ?  
115  1  1  A  128  LEU  A  128  .  ?        ?  
116  1  1  A  129  GLN  A  129  .  ?        ?  
117  1  1  A  130  GLN  A  130  .  ?        ?  
118  1  1  A  131  GLU  A  131  .  ?        ?  
119  1  1  A  132  ILE  A  132  .  ?        ?  
120  1  1  A  133  ALA  A  133  .  ?        3  
121  1  1  A  134  GLN  A  134  .  ?        ?  
122  1  1  A  135  GLN  A  135  .  ?        ?  
123  1  1  A  136  GLY  A  136  .  ?        ?  
124  1  1  A  137  GLY  A  137  .  ?        4  
125  1  1  A  138  ILE  A  138  .  ?        4  
126  1  1  A  139  VAL  A  139  .  ?        3  
127  1  1  A  140  MET  A  140  .  ?        2  
128  1  1  A  141  ASP  A  141  .  ?        ?  
129  1  1  A  142  GLY  A  142  .  ?        ?  
130  1  1  A  143  ARG  A  143  .  ?        ?  
131  1  1  A  144  ASP  A  144  .  ?        ?  
132  1  1  A  145  ILE  A  145  .  ?        1  
133  1  1  A  146  GLY  A  146  .  ?        ?  
134  1  1  A  147  THR  A  147  .  ?        1  
135  1  1  A  148  VAL  A  148  .  ?        1  
136  1  1  A  149  VAL  A  149  .  ?        1  
137  1  1  A  150  LEU  A  150  .  ?        2  
138  1  1  A  151  PRO  A  151  .  ?        ?  
139  1  1  A  152  GLN  A  152  .  ?        ?  
140  1  1  A  153  ALA  A  153  .  ?        ?  
141  1  1  A  154  GLU  A  154  .  ?        ?  
142  1  1  A  155  LEU  A  155  .  ?        6  
143  1  1  A  156  LYS  A  156  .  ?        2  
144  1  1  A  157  ILE  A  157  .  ?        3  
145  1  1  A  158  PHE  A  158  .  ?        ?  
146  1  1  A  159  LEU  A  159  .  ?        ?  
147  1  1  A  160  VAL  A  160  .  ?        ?  
148  1  1  A  161  ALA  A  161  .  ?        ?  
149  1  1  A  162  SER  A  162  .  ?        ?  
150  1  1  A  163  VAL  A  163  .  ?        ?  
151  1  1  A  164  ASP  A  164  .  ?        ?  
152  1  1  A  165  GLU  A  165  .  ?        ?  
153  1  1  A  166  ARG  A  166  .  ?        ?  
154  1  1  A  167  ALA  A  167  .  ?        ?  
155  1  1  A  168  GLU  A  168  .  ?        ?  
156  1  1  A  169  ARG  A  169  .  ?        ?  
157  1  1  A  170  ARG  A  170  .  ?        ?  
158  1  1  A  171  TYR  A  171  .  ?        ?  
159  1  1  A  172  LYS  A  172  .  ?        ?  
160  1  1  A  173  GLU  A  173  .  ?        ?  
161  1  1  A  174  ASN  A  174  .  ?        ?  
162  1  1  A  175  ILE  A  175  .  ?        ?  
163  1  1  A  176  ALA  A  176  .  ?        ?  
164  1  1  A  177  LYS  A  177  .  ?        ?  
165  1  1  A  178  GLY  A  178  .  ?        ?  
166  1  1  A  179  ILE  A  179  .  ?        ?  
167  1  1  A  180  GLU  A  180  .  ?        ?  
168  1  1  A  181  THR  A  181  .  ?        ?  
169  1  1  A  182  ASP  A  182  .  ?        ?  
170  1  1  A  183  LEU  A  183  .  ?        ?  
171  1  1  A  184  GLU  A  184  .  ?        ?  
172  1  1  A  185  THR  A  185  .  ?        ?  
173  1  1  A  186  LEU  A  186  .  ?        ?  
174  1  1  A  187  LYS  A  187  .  ?        ?  
175  1  1  A  188  LYS  A  188  .  ?        ?  
176  1  1  A  189  GLU  A  189  .  ?        ?  
177  1  1  A  190  ILE  A  190  .  ?        ?  
178  1  1  A  191  ALA  A  191  .  ?        ?  
179  1  1  A  192  ALA  A  192  .  ?        ?  
180  1  1  A  193  ARG  A  193  .  ?        ?  
181  1  1  A  194  ASP  A  194  .  ?        ?  
182  1  1  A  195  TYR  A  195  .  ?        1  
183  1  1  A  196  LYS  A  196  .  ?        ?  
184  1  1  A  197  ASP  A  197  .  ?        ?  
185  1  1  A  198  SER  A  198  .  ?        ?  
186  1  1  A  199  HIS  A  199  .  ?        1  
187  1  1  A  200  ARG  A  200  .  ?        ?  
188  1  1  A  201  GLU  A  201  .  ?        ?  
189  1  1  A  202  THR  A  202  .  ?        ?  
190  1  1  A  203  SER  A  203  .  ?        ?  
191  1  1  A  204  PRO  A  204  .  ?        ?  
192  1  1  A  205  LEU  A  205  .  ?        2  
193  1  1  A  206  LYS  A  206  .  ?        ?  
194  1  1  A  207  GLN  A  207  .  ?        ?  
195  1  1  A  208  ALA  A  208  .  ?        1  
196  1  1  A  209  GLU  A  209  .  ?        ?  
197  1  1  A  210  ASP  A  210  .  ?        ?  
198  1  1  A  211  ALA  A  211  .  ?        1  
199  1  1  A  212  VAL  A  212  .  ?        ?  
200  1  1  A  213  TYR  A  213  .  ?        ?  
201  1  1  A  214  LEU  A  214  .  ?        ?  
202  1  1  A  215  ASP  A  215  .  ?        ?  
203  1  1  A  216  THR  A  216  .  ?        ?  
204  1  1  A  217  THR  A  217  .  ?        ?  
205  1  1  A  218  GLY  A  218  .  ?        ?  
206  1  1  A  219  LEU  A  219  .  ?        ?  
207  1  1  A  220  ASN  A  220  .  ?        ?  
208  1  1  A  221  ILE  A  221  .  ?        1  
209  1  1  A  222  GLN  A  222  .  ?        ?  
210  1  1  A  223  GLU  A  223  .  ?        ?  
211  1  1  A  224  VAL  A  224  .  ?        ?  
212  1  1  A  225  VAL  A  225  .  ?        2  
213  1  1  A  226  GLU  A  226  .  ?        ?  
214  1  1  A  227  LYS  A  227  .  ?        ?  
215  1  1  A  228  ILE  A  228  .  ?        2  
216  1  1  A  229  LYS  A  229  .  ?        ?  
217  1  1  A  230  ALA  A  230  .  ?        ?  
218  1  1  A  231  GLU  A  231  .  ?        ?  
219  1  1  A  232  ALA  A  232  .  ?        4  
220  1  1  A  233  GLU  A  233  .  ?        ?  
221  1  1  A  234  LYS  A  234  .  ?        ?  
222  1  1  A  235  ARG  A  235  .  ?        ?  
223  1  1  A  236  MET  A  236  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
  1    1  ttm           ?       ?  ?         8   8  0.24  10  0.30  molprobity  
  2    2  OUTLIER    65.4   -78.7  OUTLIER  13   9  0.21  11  0.17  molprobity  
  3    3  OUTLIER  -178.7   141.8  Allowed   7   7  0.17  10  0.63  molprobity  
  4    4  OUTLIER  -154.1   148.5  Favored  11   8  0.19  11  0.50  molprobity  
  5    5  mp0       -82.4   156.1  Favored   8   9  0.23  12  0.36  molprobity  
  6    6  mm       -134.3    94.9  Allowed  11   8  0.17  11  0.57  molprobity  
  7    7  ?         -98.7   143.1  Favored   5   5  0.13   7  0.33  molprobity  
  8    8  OUTLIER  -134.0   130.5  Favored  11   8  0.23  11  0.58  molprobity  
  9    9  m-20     -125.0  -179.9  Favored   4   8  0.12  11  0.30  molprobity  
 10   10  ?         150.0   163.7  Favored   3   4  0.18   6  0.66  molprobity  
 11   11  Cg_endo   -61.3   -28.3  Favored   7   8  0.16  11  0.31  molprobity  
 12   12  ?        -155.8   -46.2  Allowed   5   5  0.13   7  0.25  molprobity  
 13   13  OUTLIER    67.5   108.1  OUTLIER   5   6  0.29   8  0.22  molprobity  
 14   14  OUTLIER   -98.1    29.1  Favored   5   6  0.25   8  0.30  molprobity  
 15   15  ?        -173.5    33.5  Allowed   3   4  0.26   5  0.21  molprobity  
 16   16  pttp      -80.5   -44.1  Favored  13   9  0.21  11  0.20  molprobity  
 17   17  OUTLIER   -63.8   -56.0  Favored   5   6  0.29   8  0.21  molprobity  
 18   18  m         -57.9   -52.8  Favored   7   7  0.16  10  0.63  molprobity  
 19   19  t         -56.8   -61.1  Allowed   9   7  0.16  10  0.47  molprobity  
 20   20  ?         -54.6   -31.9  Favored   5   5  0.14   7  0.20  molprobity  
 21   21  mttm      -72.1   -58.1  Favored  13   9  0.22  11  0.22  molprobity  
 22   22  mt        -52.7   -41.9  Favored  11   8  0.17  11  0.57  molprobity  
 23   23  mt        -57.5   -58.1  Favored  11   8  0.16  11  0.57  molprobity  
 24   24  ?         -62.7   -28.9  Favored   5   5  0.14   7  0.20  molprobity  
 25   25  tttt      -63.6   -31.1  Favored  13   9  0.21  11  0.21  molprobity  
 26   26  OUTLIER   -92.2   -55.1  Favored   4   8  0.15  11  0.24  molprobity  
 27   27  m-30      -68.0   -37.2  Favored   9  12  0.33  16  0.26  molprobity  
 28   28  ?          96.7    30.8  Favored   3   4  0.23   5  0.21  molprobity  
 29   29  m-85      -87.4   150.1  Favored   9  12  0.32  16  0.32  molprobity  
 30   30  m         -75.4   122.6  Favored   7   7  0.16  10  0.62  molprobity  
 31   31  t80       -81.8   133.1  Favored   9  13  0.24  18  0.26  molprobity  
 32   32  OUTLIER  -136.2   137.1  Favored  11   8  0.22  11  0.25  molprobity  
 33   33  OUTLIER  -119.4   127.4  Favored   4   8  0.14  11  0.23  molprobity  
 34   34  m         -48.1   -30.2  Favored   7   7  0.13  10  0.66  molprobity  
 35   35  ?         -63.8   -50.3  Favored   3   4  0.25   5  0.24  molprobity  
 36   36  ?         -57.8   -40.3  Favored   5   5  0.18   7  0.26  molprobity  
 37   37  OUTLIER   -55.6   -47.8  Favored   9   8  0.24  10  0.32  molprobity  
 38   38  m-85      -69.4   -31.5  Favored   9  13  0.32  18  0.30  molprobity  
 39   39  mtt85     -60.8   -50.0  Favored  13  11  0.19  14  0.30  molprobity  
 40   40  ?         -61.1   -40.2  Favored   5   5  0.12   7  0.25  molprobity  
 41   41  ?         -66.1   -51.2  Favored   5   5  0.15   7  0.25  molprobity  
 42   42  OUTLIER   -64.4   -36.5  Favored   7   7  0.16  10  0.56  molprobity  
 43   43  t80       -52.2   -54.3  Favored   9  13  0.25  18  0.23  molprobity  
 44   44  mmt       -58.2   -38.6  Favored   9   8  0.22  10  0.28  molprobity  
 45   45  ?         -51.1   -57.2  Favored   5   5  0.17   7  0.26  molprobity  
 46   46  OUTLIER   -67.8   -29.0  Favored  11   8  0.18  11  0.22  molprobity  
 47   47  OUTLIER   -65.3   -39.6  Favored  13   9  0.22  11  0.19  molprobity  
 48   48  m-20     -119.0    28.9  Favored   6   8  0.19  11  0.30  molprobity  
 49   49  tt0        41.3    45.4  Favored   8   9  0.27  12  0.33  molprobity  
 50   50  mm?       -90.3    58.9  Favored  11   8  0.18  11  0.29  molprobity  
 51   51  ?         -46.2   159.8  Allowed   3   4  0.21   5  0.24  molprobity  
 52   52  m         -49.3   -27.1  Favored   9   7  0.15  10  0.45  molprobity  
 53   53  mt-10     -59.2   -20.7  Favored   6   9  0.19  12  0.22  molprobity  
 54   54  tt0      -103.6    58.0  Allowed   6   9  0.22  12  0.28  molprobity  
 55   55  p         -63.3   -45.7  Favored   9   7  0.16  10  0.47  molprobity  
 56   56  mt-10     -56.5   -57.6  Favored   6   9  0.21  12  0.26  molprobity  
 57   57  ?         -63.6   -53.8  Favored   5   5  0.16   7  0.24  molprobity  
 58   58  tp        -58.0   -30.5  Favored  11   8  0.18  11  0.20  molprobity  
 59   59  tp        -65.0   -59.9  Favored  11   8  0.21  11  0.23  molprobity  
 60   60  ?         -60.2   -32.2  Favored   5   5  0.20   7  0.29  molprobity  
 61   61  tp        -72.8   -48.2  Favored  11   8  0.20  11  0.23  molprobity  
 62   62  mt        -49.5   -37.5  Favored  11   8  0.20  11  0.25  molprobity  
 63   63  t70       -76.8   -29.6  Favored   4   8  0.13  11  0.27  molprobity  
 64   64  tt0       -71.7   -29.6  Favored   8   9  0.25  12  0.27  molprobity  
 65   65  m-70      -68.3   112.2  Favored   7  11  0.20  16  0.37  molprobity  
 66   66  Cg_endo   -71.7    70.8  Favored   7   8  0.17  11  0.29  molprobity  
 67   67  mt        -74.1   150.7  Favored  11   8  0.14  11  0.63  molprobity  
 68   68  OUTLIER  -173.3   160.6  Favored   5   6  0.31   8  0.18  molprobity  
 69   69  m-30     -111.2   167.9  Favored   9  12  0.33  16  0.43  molprobity  
 70   70  ?        -166.4   144.1  Favored   3   4  0.27   5  0.23  molprobity  
 71   71  OUTLIER   -82.9   117.9  Favored  13  11  0.19  14  0.32  molprobity  
 72   72  t         -67.2   144.6  Favored   5   6  0.30   8  0.26  molprobity  
 73   73  tt0       -45.7   -29.3  Allowed   6   9  0.18  12  0.24  molprobity  
 74   74  OUTLIER   -95.3    30.8  Favored   7   7  0.13  10  0.65  molprobity  
 75   75  ?          58.1    52.3  Favored   3   4  0.25   5  0.24  molprobity  
 76   76  t0       -135.7   110.2  Favored   4   8  0.16  11  0.25  molprobity  
 77   77  tt0       -65.1   105.5  Allowed   8   9  0.21  12  0.28  molprobity  
 78   78  OUTLIER   -91.3   152.9  Favored  11   8  0.20  11  0.39  molprobity  
 79   79  OUTLIER  -101.3   123.8  Favored   9   7  0.22  10  0.39  molprobity  
 80   80  m-85     -110.0   119.5  Favored   9  12  0.38  16  0.29  molprobity  
 81   81  p        -142.0   131.6  Favored   9   7  0.14  10  0.46  molprobity  
 82   82  ?          69.3    24.0  Favored   3   4  0.26   5  0.22  molprobity  
 83   83  t70        73.9    24.0  Favored   4   8  0.13  11  0.21  molprobity  
 84   84  OUTLIER  -127.9   113.4  Favored   9   7  0.19  10  0.55  molprobity  
 85   85  p-10      -70.5   108.5  Favored   4   8  0.28  11  0.29  molprobity  
 86   86  OUTLIER  -129.1   116.5  Favored  11   8  0.20  11  0.48  molprobity  
 87   87  t        -116.1   -27.5  Favored   7   7  0.13  10  0.59  molprobity  
 88   88  OUTLIER   -83.9   -53.3  Allowed   7  11  0.14  16  0.39  molprobity  
 89   89  Cg_exo    -49.9   -28.7  Favored   7   8  0.15  11  0.27  molprobity  
 90   90  pt        -80.1    60.7  Allowed  11   8  0.14  11  0.56  molprobity  
 91   91  mtt180    -54.5  -173.9  OUTLIER  13  11  0.20  14  0.34  molprobity  
 92   92  mt-10    -108.2   -58.1  Favored   6   9  0.20  12  0.24  molprobity  
 93   93  m-20      -68.4   -62.4  Allowed   6   8  0.23  11  0.26  molprobity  
 94   94  tt0       -51.9   -48.5  Favored   6   9  0.22  12  0.28  molprobity  
 95   95  t         -65.5   -31.7  Favored   9   7  0.17  10  0.44  molprobity  
 96   96  m         -67.9   -45.2  Favored   7   7  0.14  10  0.63  molprobity  
 97   97  m-20      -55.3   -46.2  Favored   6   8  0.22  11  0.29  molprobity  
 98   98  t60       -78.2   -31.7  Favored   7  11  0.13  15  0.20  molprobity  
 99   99  t         -66.1   -39.1  Favored   9   7  0.15  10  0.46  molprobity  
100  100  t         -67.8   -43.4  Favored   5   6  0.43   8  0.41  molprobity  
101  101  ?         -66.5   -37.2  Favored   5   5  0.21   7  0.32  molprobity  
102  102  OUTLIER   -73.4   -56.0  Favored  11   8  0.38  11  0.70  molprobity  
103  103  ?         -49.8   -27.9  Favored   5   5  0.12   7  0.20  molprobity  
104  104  ?         -53.8   -31.2  Favored   5   5  0.18   7  0.31  molprobity  
105  105  mt        -71.1   136.5  Favored  11   8  0.20  12  0.64  molprobity  
106  106  Cg_endo   -72.2   -45.1  Allowed   7   8  0.14  11  0.26  molprobity  
107  107  mt-10     -60.4   -33.9  Favored   6   9  0.18  12  0.25  molprobity  
108  108  t         -62.8   -57.1  Favored   9   7  0.15  10  0.47  molprobity  
109  109  mtm180    -52.2   -46.2  Favored  13  11  0.21  14  0.30  molprobity  
110  110  OUTLIER   -53.0   -51.5  Favored   6   9  0.21  12  0.26  molprobity  
111  111  OUTLIER   -65.1   -50.3  Favored  13   9  0.22  11  0.19  molprobity  
112  112  OUTLIER   -53.4   -32.7  Favored  11   8  0.21  11  0.27  molprobity  
113  113  t         -64.8   -44.7  Favored   9   7  0.16  10  0.45  molprobity  
114  114  t         -54.6   -36.5  Favored   5   6  0.28   8  0.27  molprobity  
115  115  OUTLIER   -62.8   -44.7  Favored  11   8  0.18  11  0.24  molprobity  
116  116  mt-30     -51.4   -42.6  Favored   8   9  0.21  12  0.29  molprobity  
117  117  tt0       -68.8   -32.7  Favored   8   9  0.21  12  0.27  molprobity  
118  118  mt-10     -65.2   -32.8  Favored   6   9  0.23  12  0.30  molprobity  
119  119  mt        -70.5   -47.8  Favored  11   8  0.25  11  0.75  molprobity  
120  120  ?         -82.6    -3.7  Favored   5   5  0.20   7  0.22  molprobity  
121  121  tt0       -46.4   -49.9  Favored   8   9  0.29  12  0.32  molprobity  
122  122  tp60      -66.2   -24.2  Favored   8   9  0.23  12  0.28  molprobity  
123  123  ?          93.4   167.0  Favored   3   4  0.30   5  0.43  molprobity  
124  124  ?          68.1    65.1  Favored   3   4  0.35   5  0.16  molprobity  
125  125  OUTLIER  -150.2   135.5  Favored  11   8  0.17  11  0.52  molprobity  
126  126  m        -100.2   118.7  Favored   9   7  0.16  10  0.40  molprobity  
127  127  OUTLIER  -119.3   150.5  Favored   9   8  0.21  10  0.29  molprobity  
128  128  p-10     -145.2   133.1  Favored   4   8  0.14  11  0.32  molprobity  
129  129  ?        -167.3  -175.4  Favored   3   4  0.24   5  0.24  molprobity  
130  130  OUTLIER  -104.5   -30.4  Favored  13  11  0.19  14  0.31  molprobity  
131  131  m-20      -97.9    36.6  Allowed   4   8  0.14  11  0.25  molprobity  
132  132  OUTLIER  -109.7    50.6  Allowed  11   8  0.13  11  0.57  molprobity  
133  133  ?        -105.0   -40.6  Favored   3   4  0.22   5  0.18  molprobity  
134  134  p        -136.9    76.7  Allowed   7   7  0.16  10  0.62  molprobity  
135  135  OUTLIER  -170.3   -79.2  OUTLIER   9   7  0.16  10  0.40  molprobity  
136  136  OUTLIER   -86.4   -28.4  Favored   9   7  0.14  10  0.45  molprobity  
137  137  OUTLIER   -52.5   -54.0  Favored  11   8  0.16  12  0.48  molprobity  
138  138  Cg_exo    -45.1   -28.9  Favored   7   8  0.18  11  0.25  molprobity  
139  139  OUTLIER  -113.1    30.4  Favored   8   9  0.21  12  0.25  molprobity  
140  140  ?        -117.3   114.5  Favored   5   5  0.14   7  0.24  molprobity  
141  141  tp10      -48.2   -66.0  Allowed   6   9  0.20  12  0.25  molprobity  
142  142  OUTLIER   -97.7   124.5  Favored  11   8  0.20  11  0.22  molprobity  
143  143  pttt     -134.1   117.8  Favored  13   9  0.21  11  0.20  molprobity  
144  144  OUTLIER  -114.3   151.6  Favored  11   8  0.16  11  0.58  molprobity  
145  145  t80      -127.5    89.9  Favored   9  12  0.34  16  0.22  molprobity  
146  146  OUTLIER   -77.2   117.4  Favored  11   8  0.19  11  0.23  molprobity  
147  147  t        -107.2   153.8  Favored   9   7  0.16  10  0.46  molprobity  
148  148  ?        -153.2   171.7  Favored   5   5  0.14   7  0.22  molprobity  
149  149  OUTLIER  -103.6   140.2  Favored   5   6  0.29   8  0.22  molprobity  
150  150  OUTLIER   -46.4   -42.3  Favored   9   7  0.16  10  0.51  molprobity  
151  151  OUTLIER   -58.8   -52.1  Favored   4   8  0.16  11  0.23  molprobity  
152  152  mm-40     -53.7   -60.1  Favored   6   9  0.20  12  0.25  molprobity  
153  153  ttt-85    -60.9   -51.2  Favored  13  11  0.22  14  0.31  molprobity  
154  154  ?         -48.3   -32.0  Favored   5   5  0.15   7  0.24  molprobity  
155  155  OUTLIER   -75.0   -48.7  Favored   6   9  0.19  12  0.26  molprobity  
156  156  OUTLIER   -54.6   -32.2  Favored  13  11  0.20  14  0.32  molprobity  
157  157  mmt180    -74.1   -45.3  Favored  13  11  0.20  14  0.30  molprobity  
158  158  t80       -50.8   -47.7  Favored   9  13  0.25  18  0.22  molprobity  
159  159  mttt      -64.0   -51.8  Favored  13   9  0.21  11  0.18  molprobity  
160  160  mt-10     -50.6   -28.8  Favored   6   9  0.19  12  0.23  molprobity  
161  161  m-20      -78.8   -30.8  Favored   6   8  0.22  11  0.31  molprobity  
162  162  OUTLIER   -79.3   -52.1  Favored  11   8  0.26  11  0.51  molprobity  
163  163  ?         -58.9   -26.9  Favored   5   5  0.13   7  0.18  molprobity  
164  164  OUTLIER   -72.5   -13.0  Favored  13   9  0.25  11  0.37  molprobity  
165  165  ?         112.7    29.0  Favored   3   4  0.23   5  0.32  molprobity  
166  166  mt       -131.0  -176.2  Allowed  11   8  0.17  11  0.51  molprobity  
167  167  tt0      -141.9    53.7  Allowed   6   9  0.24  12  0.29  molprobity  
168  168  OUTLIER   -65.9   136.0  Favored   7   7  0.14  10  0.63  molprobity  
169  169  m-20      -82.8   146.5  Favored   4   8  0.15  11  0.23  molprobity  
170  170  OUTLIER   -64.4   -49.3  Favored  11   8  0.20  11  0.23  molprobity  
171  171  mt-10     -48.4   -29.4  Favored   6   9  0.25  12  0.28  molprobity  
172  172  m         -71.5   -50.1  Favored   7   7  0.16  10  0.63  molprobity  
173  173  mt        -65.1   -41.6  Favored  11   8  0.19  11  0.23  molprobity  
174  174  tttt      -54.1   -48.4  Favored  13   9  0.21  11  0.21  molprobity  
175  175  mttt      -69.1   -53.3  Favored  13   9  0.21  11  0.21  molprobity  
176  176  tt0       -48.0   -46.8  Favored   6   9  0.20  12  0.27  molprobity  
177  177  OUTLIER   -65.8   -33.1  Favored  11   8  0.15  11  0.54  molprobity  
178  178  ?         -62.9   -36.1  Favored   5   5  0.15   7  0.24  molprobity  
179  179  ?         -72.3   -54.3  Favored   5   5  0.15   7  0.25  molprobity  
180  180  mtt180    -63.2   -49.8  Favored  13  11  0.21  14  0.30  molprobity  
181  181  t70       -49.7   -43.5  Favored   4   8  0.15  11  0.25  molprobity  
182  182  t80       -68.4   -57.1  Favored   9  13  0.25  18  0.22  molprobity  
183  183  mttt      -48.7   -32.1  Favored  13   9  0.22  11  0.23  molprobity  
184  184  t0        -83.1   -34.0  Favored   4   8  0.16  11  0.24  molprobity  
185  185  t         -96.7    20.5  Favored   5   6  0.28   8  0.15  molprobity  
186  186  OUTLIER  -140.8    31.2  Allowed   7  11  0.13  15  0.20  molprobity  
187  187  OUTLIER  -119.1  -166.1  Allowed  13  11  0.20  14  0.34  molprobity  
188  188  tt0      -123.8   -60.3  Allowed   6   9  0.19  12  0.25  molprobity  
189  189  OUTLIER   -50.2   142.9  Favored   7   7  0.14  10  0.64  molprobity  
190  190  m          48.9    56.4  Favored   5   6  0.29   9  0.56  molprobity  
191  191  Cg_endo   -78.4   118.9  Favored   7   8  0.18  11  0.26  molprobity  
192  192  OUTLIER   -60.7   -82.1  OUTLIER  11   8  0.18  11  0.17  molprobity  
193  193  tttp       46.0    29.7  Allowed  13   9  0.21  11  0.19  molprobity  
194  194  OUTLIER    61.9   115.9  OUTLIER   8   9  0.21  12  0.25  molprobity  
195  195  ?         -50.2   174.4  OUTLIER   5   5  0.14   7  0.26  molprobity  
196  196  tt0       -48.0   -58.0  Favored   6   9  0.20  12  0.26  molprobity  
197  197  m-20     -123.2    38.0  Favored   4   8  0.17  11  0.25  molprobity  
198  198  ?         -71.3   115.6  Favored   5   5  0.13   7  0.24  molprobity  
199  199  t         -62.0   116.2  Favored   9   7  0.16  10  0.45  molprobity  
200  200  t80       -78.3   125.7  Favored   9  13  0.24  18  0.23  molprobity  
201  201  tp       -158.0   105.9  Allowed  11   8  0.19  11  0.22  molprobity  
202  202  OUTLIER   -94.7   134.1  Favored   4   8  0.16  11  0.25  molprobity  
203  203  m        -131.1    86.6  Favored   7   7  0.15  10  0.62  molprobity  
204  204  OUTLIER   -89.2   119.8  Favored   7   7  0.12  10  0.63  molprobity  
205  205  ?          47.3    32.7  Favored   3   4  0.22   5  0.18  molprobity  
206  206  OUTLIER  -103.2   149.8  Favored  11   8  0.18  11  0.23  molprobity  
207  207  t-20      -47.6   149.5  Allowed   6   8  0.21  11  0.29  molprobity  
208  208  OUTLIER   -72.8   -43.5  Favored  11   8  0.18  11  0.57  molprobity  
209  209  pt20      -57.4   -33.9  Favored   8   9  0.21  12  0.26  molprobity  
210  210  mm-40     -58.9   -34.6  Favored   6   9  0.19  12  0.26  molprobity  
211  211  t         -73.0   -48.9  Favored   9   7  0.15  10  0.46  molprobity  
212  212  t         -51.0   -43.5  Favored   9   7  0.15  10  0.46  molprobity  
213  213  tt0       -64.2   -47.3  Favored   6   9  0.18  12  0.26  molprobity  
214  214  mmtt      -49.9   -53.2  Favored  13   9  0.22  11  0.21  molprobity  
215  215  mp        -65.2   -49.5  Favored  11   8  0.17  11  0.57  molprobity  
216  216  OUTLIER   -49.9   -47.1  Favored  13   9  0.21  11  0.21  molprobity  
217  217  ?         -60.7   -38.5  Favored   5   5  0.14   7  0.25  molprobity  
218  218  OUTLIER   -67.5   -35.5  Favored   6   9  0.20  12  0.26  molprobity  
219  219  ?         -75.8   -51.9  Favored   5   5  0.15   7  0.24  molprobity  
220  220  OUTLIER   -55.5   -46.2  Favored   6   9  0.20  12  0.26  molprobity  
221  221  OUTLIER   -64.8   -48.0  Favored  13   9  0.22  11  0.21  molprobity  
222  222  ttm180    -56.6   -29.7  Favored  13  11  0.20  14  0.31  molprobity  
223  223  mtt           ?       ?  ?         9   8  0.55   7  0.39  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    3  HG22   1  0.71  1.62  
  2    3  HG22   2  0.43  2.41  
  3    4  HD13   3  0.60  2.11  
  4    4  N      3  0.60  2.11  
  5    5  HG2    4  0.54  1.78  
  6    5  CG     5  0.52  2.33  
  7    6  HD13   6  0.55  2.32  
  8    6  HD13   7  0.52  1.81  
  9    6  HB     8  0.54  1.79  
 10    6  HG22   9  0.50  2.05  
 11    6  O      9  0.50  2.05  
 12   18  HG21  10  0.52  1.81  
 13   22  CD1   11  0.42  2.45  
 14   22  HD12  12  0.41  1.93  
 15   23  HD11  13  0.49  1.82  
 16   23  HD11  14  0.44  2.41  
 17   24  HB1   15  0.64  1.93  
 18   29  O     15  0.64  1.93  
 19   29  CD1   16  0.41  3.03  
 20   29  CD1   17  0.41  2.51  
 21   32  HD12  18  0.65  2.07  
 22   33  N     18  0.65  2.07  
 23   36  CB    19  0.45  3.00  
 24   36  HB3   20  0.43  2.48  
 25   39  HD3   21  0.56  1.77  
 26   39  CG    22  0.44  2.42  
 27   39  CD    23  0.43  2.42  
 28   41  HB2   24  0.52  1.81  
 29   44  HE2   25  0.41  2.30  
 30   46  HD21  26  0.54  2.37  
 31   48  O     27  0.54  2.02  
 32   50  HD22  27  0.54  2.02  
 33   50  HD12  28  0.50  1.84  
 34   50  HD11  29  0.46  2.10  
 35   50  HB3   30  0.41  1.93  
 36   54  CG    31  0.80  2.06  
 37   54  HG2   32  0.56  1.78  
 38   54  HG2   28  0.50  1.84  
 39   54  OE2   29  0.46  2.10  
 40   55  HG23  33  0.43  1.90  
 41   55  HG13  34  0.42  2.29  
 42   56  N     34  0.42  2.29  
 43   57  HB3   31  0.80  2.06  
 44   57  HB3   32  0.56  1.78  
 45   58  HD13  30  0.41  1.93  
 46   59  HD11  35  0.48  1.86  
 47   59  HD22  36  0.48  1.86  
 48   59  HD22  37  0.43  2.43  
 49   61  CD2   38  0.40  2.84  
 50   62  HD22  39  0.59  1.73  
 51   65  ND1   25  0.41  2.30  
 52   65  NE2   38  0.40  2.84  
 53   67  HG12  40  0.67  1.64  
 54   69  CE1   41  0.76  2.15  
 55   69  CZ    19  0.45  3.00  
 56   69  CZ    20  0.43  2.48  
 57   79  HG22  41  0.76  2.15  
 58   80  CD1   42  0.46  2.83  
 59   80  N     42  0.46  2.83  
 60   81  HG23  40  0.67  1.64  
 61   88  N     43  0.41  2.84  
 62   89  CD    43  0.41  2.84  
 63   95  HG11  21  0.56  1.77  
 64   95  HG11  22  0.44  2.42  
 65   95  HG11  23  0.43  2.42  
 66   98  CG    26  0.54  2.37  
 67  105  HG21  33  0.43  1.90  
 68  107  HG2   36  0.48  1.86  
 69  107  CG    37  0.43  2.43  
 70  111  HD2   35  0.48  1.86  
 71  112  HD21  39  0.59  1.73  
 72  112  HD11  24  0.52  1.81  
 73  120  HB1    4  0.54  1.78  
 74  120  HB1    5  0.52  2.33  
 75  120  HB2   44  0.44  1.90  
 76  124  HA3    1  0.71  1.62  
 77  124  CA     2  0.43  2.41  
 78  124  CA    16  0.41  3.03  
 79  124  HA2   17  0.41  2.51  
 80  125  HD11  45  0.59  2.37  
 81  125  HG12  44  0.44  1.90  
 82  125  C     46  0.42  2.34  
 83  125  HD12  46  0.42  2.34  
 84  126  HG12   8  0.54  1.79  
 85  126  HG23  47  0.41  2.14  
 86  126  O     47  0.41  2.14  
 87  127  HE1   48  0.68  1.65  
 88  127  SD    45  0.59  2.37  
 89  132  HG22  49  0.71  1.63  
 90  134  O     50  0.47  2.09  
 91  135  HG13  50  0.47  2.09  
 92  136  HG21  48  0.68  1.65  
 93  137  HD23  49  0.71  1.63  
 94  137  HD13  51  0.45  1.88  
 95  142  CD2   52  0.58  2.29  
 96  142  CB     6  0.55  2.32  
 97  142  HB3    7  0.52  1.81  
 98  142  HD21  53  0.49  1.83  
 99  142  HD21  54  0.46  2.40  
100  142  HD21  55  0.45  2.42  
101  143  C     56  0.49  2.28  
102  143  HB3   51  0.45  1.88  
103  144  HD13  56  0.49  2.28  
104  144  HD13  57  0.43  2.28  
105  144  N     57  0.43  2.28  
106  182  CE2   58  0.45  2.85  
107  186  ND1   58  0.45  2.85  
108  192  N     59  0.40  2.85  
109  192  CD1   59  0.40  2.85  
110  195  HB3   60  0.74  1.57  
111  198  HB2   60  0.74  1.57  
112  208  HG21  10  0.52  1.81  
113  212  HG21  11  0.42  2.45  
114  212  HG21  12  0.41  1.93  
115  215  HG21  13  0.49  1.82  
116  215  CG2   14  0.44  2.41  
117  219  HB2   52  0.58  2.29  
118  219  HB2   53  0.49  1.83  
119  219  CB    54  0.46  2.40  
120  219  CA    55  0.45  2.42  
#
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  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  N  
##
