data_4LOT

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4LOT
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4LOT
_pdbx_vrpt_summary.PDB_deposition_date         2013-07-13
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2013-09-04
_pdbx_vrpt_summary.report_creation_date        2024-06-19:06:26
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
_pdbx_vrpt_entity.id           1
_pdbx_vrpt_entity.type         polymer
_pdbx_vrpt_entity.description  "Complement C1s subcomponent heavy chain"
#
_pdbx_vrpt_asym.label_asym_id  A
_pdbx_vrpt_asym.entity_id      1
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.92  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  22.35  141614     ?     ?  
 2  2  1  48.99    2531  2.90  2.94  
 3  1  2  12.81  138981     ?     ?  
 4  2  2  38.10    2462  2.90  2.94  
 5  1  3  32.77  138945     ?     ?  
 6  2  3  65.46    2464  2.90  2.94  
 7  1  4   0.18  127900     ?     ?  
 8  2  4   0.18    2248  2.90  2.94  
 9  1  5   5.15  130704     ?     ?  
10  2  5  14.51    2307  2.90  2.94  
#
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  12.81  
2  4  2  A  1  1  A  38.10  
3  5  3  A  1  1  A  32.77  
4  6  3  A  1  1  A  65.46  
5  7  4  A  1  1  A   0.18  
6  8  4  A  1  1  A   0.18  
#
_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      0.50
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.28
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1959
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2661
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  1.24
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       3.81
_pdbx_vrpt_summary_geometry.clashscore                     11.62
_pdbx_vrpt_summary_geometry.num_H_reduce                   1791
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1959
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.28
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2661
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.50
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 57.597
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            122.063
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         64.466
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.55(2.86A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        9463
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.213
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.320
_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         0.938
_pdbx_vrpt_summary_diffraction.twin_fraction             -h,-k,l:0.027
_pdbx_vrpt_summary_diffraction.DCC_R                     0.28
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.30
_pdbx_vrpt_summary_diffraction.EDS_R                     0.28
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.85
_pdbx_vrpt_summary_diffraction.EDS_res_low               54.22
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[45.093,116.854,45.197,0.000,-9.239,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           1.039
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.52% 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         3
_pdbx_vrpt_summary_diffraction.centric_outliers          3
_pdbx_vrpt_summary_diffraction.data_completeness         94.05
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      448
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.73
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     29.67
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.92
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        54.22
_pdbx_vrpt_summary_diffraction.PDB_R                     0.27
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.29
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  CYS  A  160  .  ?        ?  
  2  1  1  A    2  SER  A  161  .  ?        ?  
  3  1  1  A    3  GLY  A  162  .  ?        ?  
  4  1  1  A    4  ASP  A  163  .  ?        ?  
  5  1  1  A    5  VAL  A  164  .  ?        ?  
  6  1  1  A    6  PHE  A  165  .  ?        ?  
  7  1  1  A    7  THR  A  166  .  ?        ?  
  8  1  1  A    8  ALA  A  167  .  ?        ?  
  9  1  1  A    9  LEU  A  168  .  ?        ?  
 10  1  1  A   10  ILE  A  169  .  ?        ?  
 11  1  1  A   11  GLY  A  170  .  ?        ?  
 12  1  1  A   12  GLU  A  171  .  ?        ?  
 13  1  1  A   13  ILE  A  172  .  ?        ?  
 14  1  1  A   14  ALA  A  173  .  ?        ?  
 15  1  1  A   15  SER  A  174  .  ?        2  
 16  1  1  A   16  PRO  A  175  .  ?        ?  
 17  1  1  A   17  ASN  A  176  .  ?        1  
 18  1  1  A   18  TYR  A  177  .  ?        3  
 19  1  1  A   19  PRO  A  178  .  ?        2  
 20  1  1  A   20  LYS  A  179  .  ?        1  
 21  1  1  A   21  PRO  A  180  .  ?        1  
 22  1  1  A   22  TYR  A  181  .  ?        ?  
 23  1  1  A   23  PRO  A  182  .  ?        ?  
 24  1  1  A   24  GLU  A  183  .  ?        1  
 25  1  1  A   25  ASN  A  184  .  ?        ?  
 26  1  1  A   26  SER  A  185  .  ?        1  
 27  1  1  A   27  ARG  A  186  .  ?        ?  
 28  1  1  A   28  CYS  A  187  .  ?        2  
 29  1  1  A   29  GLU  A  188  .  ?        ?  
 30  1  1  A   30  TYR  A  189  .  ?        1  
 31  1  1  A   31  GLN  A  190  .  ?        ?  
 32  1  1  A   32  ILE  A  191  .  ?        1  
 33  1  1  A   33  ARG  A  192  .  ?        3  
 34  1  1  A   34  LEU  A  193  .  ?        ?  
 35  1  1  A   35  GLU  A  194  .  ?        ?  
 36  1  1  A   36  LYS  A  195  .  ?        1  
 37  1  1  A   37  GLY  A  196  .  ?        ?  
 38  1  1  A   38  PHE  A  197  .  ?        1  
 39  1  1  A   39  GLN  A  198  .  ?        1  
 40  1  1  A   40  VAL  A  199  .  ?        1  
 41  1  1  A   41  VAL  A  200  .  ?        ?  
 42  1  1  A   42  VAL  A  201  .  ?        ?  
 43  1  1  A   43  THR  A  202  .  ?        ?  
 44  1  1  A   44  LEU  A  203  .  ?        2  
 45  1  1  A   45  ARG  A  204  .  ?        1  
 46  1  1  A   46  ARG  A  205  .  ?        ?  
 47  1  1  A   47  GLU  A  206  .  ?        ?  
 48  1  1  A   48  ASP  A  207  .  ?        2  
 49  1  1  A   49  PHE  A  208  .  ?        1  
 50  1  1  A   50  ASP  A  209  .  ?        1  
 51  1  1  A   51  VAL  A  210  .  ?        ?  
 52  1  1  A   52  GLU  A  211  .  ?        ?  
 53  1  1  A   53  ALA  A  212  .  ?        ?  
 54  1  1  A   54  ALA  A  213  .  ?        ?  
 55  1  1  A   55  ASP  A  214  .  ?        ?  
 56  1  1  A   56  SER  A  215  .  ?        ?  
 57  1  1  A   57  ALA  A  216  .  ?        ?  
 58  1  1  A   58  GLY  A  217  .  ?        ?  
 59  1  1  A   59  ASN  A  218  .  ?        ?  
 60  1  1  A   60  CYS  A  219  .  ?        ?  
 61  1  1  A   61  LEU  A  220  .  ?        ?  
 62  1  1  A   62  ASP  A  221  .  ?        ?  
 63  1  1  A   63  SER  A  222  .  ?        ?  
 64  1  1  A   64  LEU  A  223  .  ?        2  
 65  1  1  A   65  VAL  A  224  .  ?        ?  
 66  1  1  A   66  PHE  A  225  .  ?        ?  
 67  1  1  A   67  VAL  A  226  .  ?        ?  
 68  1  1  A   68  ALA  A  227  .  ?        ?  
 69  1  1  A   69  GLY  A  228  .  ?        ?  
 70  1  1  A   70  ASP  A  229  .  ?        ?  
 71  1  1  A   71  ARG  A  230  .  ?        ?  
 72  1  1  A   72  GLN  A  231  .  ?        ?  
 73  1  1  A   73  PHE  A  232  .  ?        ?  
 74  1  1  A   74  GLY  A  233  .  ?        ?  
 75  1  1  A   75  PRO  A  234  .  ?        ?  
 76  1  1  A   76  TYR  A  235  .  ?        ?  
 77  1  1  A   77  CYS  A  236  .  ?        ?  
 78  1  1  A   78  GLY  A  237  .  ?        ?  
 79  1  1  A   79  HIS  A  238  .  ?        ?  
 80  1  1  A   80  GLY  A  239  .  ?        ?  
 81  1  1  A   81  PHE  A  240  .  ?        1  
 82  1  1  A   82  PRO  A  241  .  ?        1  
 83  1  1  A   83  GLY  A  242  .  ?        ?  
 84  1  1  A   84  PRO  A  243  .  ?        ?  
 85  1  1  A   85  LEU  A  244  .  ?        ?  
 86  1  1  A   86  ASN  A  245  .  ?        ?  
 87  1  1  A   87  ILE  A  246  .  ?        ?  
 88  1  1  A   88  GLU  A  247  .  ?        ?  
 89  1  1  A   89  THR  A  248  .  ?        1  
 90  1  1  A   90  LYS  A  249  .  ?        ?  
 91  1  1  A   91  SER  A  250  .  ?        1  
 92  1  1  A   92  ASN  A  251  .  ?        ?  
 93  1  1  A   93  ALA  A  252  .  ?        3  
 94  1  1  A   94  LEU  A  253  .  ?        ?  
 95  1  1  A   95  ASP  A  254  .  ?        ?  
 96  1  1  A   96  ILE  A  255  .  ?        1  
 97  1  1  A   97  ILE  A  256  .  ?        1  
 98  1  1  A   98  PHE  A  257  .  ?        3  
 99  1  1  A   99  GLN  A  258  .  ?        ?  
100  1  1  A  100  THR  A  259  .  ?        1  
101  1  1  A  101  ASP  A  260  .  ?        1  
102  1  1  A  102  LEU  A  261  .  ?        ?  
103  1  1  A  103  THR  A  262  .  ?        ?  
104  1  1  A  104  GLY  A  263  .  ?        1  
105  1  1  A  105  GLN  A  264  .  ?        ?  
106  1  1  A  106  LYS  A  265  .  ?        2  
107  1  1  A  107  LYS  A  266  .  ?        2  
108  1  1  A  108  GLY  A  267  .  ?        1  
109  1  1  A  109  TRP  A  268  .  ?        2  
110  1  1  A  110  LYS  A  269  .  ?        ?  
111  1  1  A  111  LEU  A  270  .  ?        1  
112  1  1  A  112  ARG  A  271  .  ?        ?  
113  1  1  A  113  TYR  A  272  .  ?        ?  
114  1  1  A  114  HIS  A  273  .  ?        ?  
115  1  1  A  115  GLY  A  274  .  ?        ?  
116  1  1  A  116  ASP  A  275  .  ?        1  
117  1  1  A  117  PRO  A  276  .  ?        2  
118  1  1  A  118  MET  A  277  .  ?        1  
119  1  1  A  119  PRO  A  278  .  ?        1  
120  1  1  A  120  CYS  A  279  .  ?        1  
121  1  1  A  121  PRO  A  280  .  ?        ?  
122  1  1  A  122  LYS  A  281  .  ?        ?  
123  1  1  A  123  GLU  A  282  .  ?        ?  
124  1  1  A  124  ASP  A  283  .  ?        ?  
125  1  1  A  125  THR  A  284  .  ?        ?  
126  1  1  A  126  PRO  A  285  .  ?        ?  
127  1  1  A  127  ASN  A  286  .  ?        ?  
128  1  1  A  128  SER  A  287  .  ?        ?  
129  1  1  A  129  VAL  A  288  .  ?        ?  
130  1  1  A  130  TRP  A  289  .  ?        ?  
131  1  1  A  131  GLU  A  290  .  ?        ?  
132  1  1  A  132  PRO  A  291  .  ?        ?  
133  1  1  A  133  ALA  A  292  .  ?        1  
134  1  1  A  134  LYS  A  293  .  ?        ?  
135  1  1  A  135  ALA  A  294  .  ?        ?  
136  1  1  A  136  LYS  A  295  .  ?        ?  
137  1  1  A  137  TYR  A  296  .  ?        1  
138  1  1  A  138  VAL  A  297  .  ?        1  
139  1  1  A  139  PHE  A  298  .  ?        ?  
140  1  1  A  140  ARG  A  299  .  ?        ?  
141  1  1  A  141  ASP  A  300  .  ?        ?  
142  1  1  A  142  VAL  A  301  .  ?        1  
143  1  1  A  143  VAL  A  302  .  ?        ?  
144  1  1  A  144  GLN  A  303  .  ?        1  
145  1  1  A  145  ILE  A  304  .  ?        1  
146  1  1  A  146  THR  A  305  .  ?        1  
147  1  1  A  147  CYS  A  306  .  ?        ?  
148  1  1  A  148  LEU  A  307  .  ?        ?  
149  1  1  A  149  ASP  A  308  .  ?        ?  
150  1  1  A  150  GLY  A  309  .  ?        ?  
151  1  1  A  151  PHE  A  310  .  ?        ?  
152  1  1  A  152  GLU  A  311  .  ?        ?  
153  1  1  A  153  VAL  A  312  .  ?        ?  
154  1  1  A  154  VAL  A  313  .  ?        ?  
155  1  1  A  155  GLU  A  314  .  ?        ?  
156  1  1  A  156  GLY  A  315  .  ?        ?  
157  1  1  A  160  ALA  A  319  .  ?        ?  
158  1  1  A  161  THR  A  320  .  ?        ?  
159  1  1  A  162  SER  A  321  .  ?        ?  
160  1  1  A  163  PHE  A  322  .  ?        1  
161  1  1  A  164  TYR  A  323  .  ?        ?  
162  1  1  A  165  SER  A  324  .  ?        ?  
163  1  1  A  166  THR  A  325  .  ?        1  
164  1  1  A  167  CYS  A  326  .  ?        ?  
165  1  1  A  168  GLN  A  327  .  ?        ?  
166  1  1  A  169  SER  A  328  .  ?        1  
167  1  1  A  170  ASN  A  329  .  ?        ?  
168  1  1  A  171  GLY  A  330  .  ?        ?  
169  1  1  A  172  LYS  A  331  .  ?        ?  
170  1  1  A  173  TRP  A  332  .  ?        1  
171  1  1  A  174  SER  A  333  .  ?        ?  
172  1  1  A  175  ASN  A  334  .  ?        1  
173  1  1  A  176  SER  A  335  .  ?        ?  
174  1  1  A  177  LYS  A  336  .  ?        ?  
175  1  1  A  178  LEU  A  337  .  ?        1  
176  1  1  A  179  LYS  A  338  .  ?        ?  
177  1  1  A  180  CYS  A  339  .  ?        ?  
178  1  1  A  181  GLN  A  340  .  ?        ?  
179  1  1  A  182  PRO  A  341  .  ?        ?  
180  1  1  A  183  VAL  A  342  .  ?        ?  
181  1  1  A  184  ASP  A  343  .  ?        ?  
182  1  1  A  185  CYS  A  344  .  ?        ?  
183  1  1  A  186  GLY  A  345  .  ?        ?  
184  1  1  A  187  ILE  A  346  .  ?        ?  
185  1  1  A  188  PRO  A  347  .  ?        ?  
186  1  1  A  189  GLU  A  348  .  ?        ?  
187  1  1  A  190  SER  A  349  .  ?        ?  
188  1  1  A  191  ILE  A  350  .  ?        ?  
189  1  1  A  192  GLU  A  351  .  ?        ?  
190  1  1  A  193  ASN  A  352  .  ?        ?  
191  1  1  A  194  GLY  A  353  .  ?        ?  
192  1  1  A  195  LYS  A  354  .  ?        ?  
193  1  1  A  196  VAL  A  355  .  ?        ?  
194  1  1  A  197  GLU  A  356  .  ?        ?  
195  1  1  A  198  ASP  A  357  .  ?        1  
196  1  1  A  199  PRO  A  358  .  ?        1  
197  1  1  A  200  GLU  A  359  .  ?        2  
198  1  1  A  201  SER  A  360  .  ?        ?  
199  1  1  A  202  THR  A  361  .  ?        ?  
200  1  1  A  203  LEU  A  362  .  ?        1  
201  1  1  A  204  PHE  A  363  .  ?        ?  
202  1  1  A  205  GLY  A  364  .  ?        ?  
203  1  1  A  206  SER  A  365  .  ?        1  
204  1  1  A  207  VAL  A  366  .  ?        ?  
205  1  1  A  208  ILE  A  367  .  ?        ?  
206  1  1  A  209  ARG  A  368  .  ?        ?  
207  1  1  A  210  TYR  A  369  .  ?        ?  
208  1  1  A  211  THR  A  370  .  ?        ?  
209  1  1  A  212  CYS  A  371  .  ?        ?  
210  1  1  A  213  GLU  A  372  .  ?        ?  
211  1  1  A  214  GLU  A  373  .  ?        ?  
212  1  1  A  215  PRO  A  374  .  ?        ?  
213  1  1  A  216  TYR  A  375  .  ?        ?  
214  1  1  A  217  TYR  A  376  .  ?        ?  
215  1  1  A  218  TYR  A  377  .  ?        1  
216  1  1  A  219  MET  A  378  .  ?        1  
217  1  1  A  220  GLU  A  379  .  ?        ?  
218  1  1  A  221  ASN  A  380  .  ?        2  
219  1  1  A  222  GLY  A  381  .  ?        1  
220  1  1  A  223  GLY  A  382  .  ?        ?  
221  1  1  A  224  GLY  A  383  .  ?        ?  
222  1  1  A  225  GLY  A  384  .  ?        ?  
223  1  1  A  226  GLU  A  385  .  ?        ?  
224  1  1  A  227  TYR  A  386  .  ?        ?  
225  1  1  A  228  HIS  A  387  .  ?        ?  
226  1  1  A  229  CYS  A  388  .  ?        ?  
227  1  1  A  230  ALA  A  389  .  ?        ?  
228  1  1  A  231  GLY  A  390  .  ?        ?  
229  1  1  A  232  ASN  A  391  .  ?        ?  
230  1  1  A  233  GLY  A  392  .  ?        ?  
231  1  1  A  234  SER  A  393  .  ?        ?  
232  1  1  A  235  TRP  A  394  .  ?        ?  
233  1  1  A  236  VAL  A  395  .  ?        ?  
234  1  1  A  237  ASN  A  396  .  ?        ?  
235  1  1  A  238  GLU  A  397  .  ?        ?  
236  1  1  A  239  VAL  A  398  .  ?        ?  
237  1  1  A  240  LEU  A  399  .  ?        ?  
238  1  1  A  241  GLY  A  400  .  ?        ?  
239  1  1  A  242  PRO  A  401  .  ?        ?  
240  1  1  A  243  GLU  A  402  .  ?        ?  
241  1  1  A  244  LEU  A  403  .  ?        ?  
242  1  1  A  245  PRO  A  404  .  ?        ?  
243  1  1  A  246  LYS  A  405  .  ?        ?  
244  1  1  A  247  CYS  A  406  .  ?        ?  
245  1  1  A  248  VAL  A  407  .  ?        1  
246  1  1  A  249  PRO  A  408  .  ?        ?  
#
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.cis_peptide
_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  m             ?       ?  ?        ?      3  192.540   6  0.18   8  0.39  molprobity  1.000  
  2    2  p          58.4    63.6  Allowed  ?      5  187.970   6  0.30   8  0.46  molprobity  1.000  
  3    3  ?         -86.2   157.4  Favored  ?      3  161.260   4  0.22   5  0.27  molprobity  1.000  
  4    4  t70       -76.1   176.9  Favored  ?      4  166.270   8  0.19  11  0.26  molprobity  1.000  
  5    5  t         -76.6   148.7  Favored  ?      9  144.400   7  0.21  10  0.41  molprobity  1.000  
  6    6  m-30     -111.6   108.9  Favored  ?      9  156.180  12  0.33  16  0.58  molprobity  1.000  
  7    7  p         -90.2   -36.2  Favored  ?      7  139.980   7  0.21  10  0.73  molprobity  1.000  
  8    8  ?         -50.3   142.8  Favored  ?      5  117.230   5  0.19   7  0.42  molprobity  1.000  
  9    9  tp        -63.6   -37.7  Favored  ?     11  110.860   8  0.21  11  0.32  molprobity  1.000  
 10   10  mm       -124.2   144.2  Favored  ?     11  120.390   8  0.19  11  0.71  molprobity  1.000  
 11   11  ?        -165.3  -172.1  Favored  ?      3  109.870   4  0.22   5  0.29  molprobity  1.000  
 12   12  pm0      -159.5   155.2  Favored  ?      6  138.770   9  0.27  12  0.37  molprobity  1.000  
 13   13  tp       -161.7   158.8  Allowed  ?     11  105.740   8  0.26  11  0.22  molprobity  1.000  
 14   14  ?        -139.1   179.8  Favored  ?      5  106.340   5  0.19   7  0.42  molprobity  1.000  
 15   15  p         -69.6   103.1  Allowed  ?      5  123.120   6  0.24   9  0.60  molprobity  1.000  
 16   16  Cg_endo   -37.7   142.3  Allowed  ?      7  122.090   8  0.24  11  0.61  molprobity  1.000  
 17   17  m-20       71.8     3.8  Favored  ?      6  142.710   8  0.32  11  0.52  molprobity  1.000  
 18   18  t80       -46.4   143.4  Favored  Y      9  126.130  13  0.34  19  0.44  molprobity  1.000  
 19   19  Cg_endo   -88.7    44.4  Allowed  ?      7  152.840   8  0.17  11  0.41  molprobity  1.000  
 20   20  mttt      -73.1   156.0  Favored  ?     13  172.440   9  0.24  12  0.65  molprobity  1.000  
 21   21  Cg_exo    -56.0   146.1  Favored  ?      7  159.780   8  0.15  11  0.29  molprobity  1.000  
 22   22  p90       -74.7   120.9  Favored  ?      9  139.970  13  0.47  19  0.59  molprobity  1.000  
 23   23  Cg_exo    -48.5   115.8  Allowed  ?      7  174.900   8  0.15  11  0.41  molprobity  1.000  
 24   24  pt-20     -64.1   160.9  Favored  ?      6  174.010   9  0.29  12  0.39  molprobity  1.000  
 25   25  m-20       48.1    57.3  Favored  ?      6  152.960   8  0.26  11  0.57  molprobity  1.000  
 26   26  OUTLIER  -153.7   156.8  Favored  ?      5  141.000   6  0.31   8  0.53  molprobity  1.000  
 27   27  ttp85    -117.0   136.8  Favored  ?     13  127.510  11  0.25  14  0.61  molprobity  1.000  
 28   28  m        -112.6   118.5  Favored  ?      4  145.570   6  0.46   8  0.36  molprobity  1.000  
 29   29  tt0      -116.1   118.2  Favored  ?      6  144.140   9  0.27  12  0.47  molprobity  1.000  
 30   30  m-85     -127.4   125.4  Favored  ?      9  133.070  13  0.20  18  0.24  molprobity  1.000  
 31   31  mt-30    -112.0   114.2  Favored  ?      8  128.390   9  0.26  12  0.46  molprobity  1.000  
 32   32  mt       -101.2   124.0  Favored  ?     11   95.760   8  0.31  11  0.94  molprobity  1.000  
 33   33  mmt180   -122.2   100.4  Favored  ?     13  127.100  11  0.27  14  0.37  molprobity  1.000  
 34   34  mt        -79.4  -171.9  Favored  ?     11  118.990   8  0.23  11  0.53  molprobity  1.000  
 35   35  mp0      -102.5   133.1  Favored  ?      6  148.180   9  0.36  12  0.49  molprobity  1.000  
 36   36  tttm      -50.0   136.4  Favored  ?     13  111.660   9  0.23  11  0.49  molprobity  1.000  
 37   37  ?         107.1    -9.8  Favored  ?      3  100.490   4  0.22   5  0.69  molprobity  1.000  
 38   38  m-85     -111.9   107.8  Favored  ?      9  105.360  12  0.28  16  0.38  molprobity  1.000  
 39   39  pt20      -71.0   152.5  Favored  ?      8   84.730   9  0.27  12  0.51  molprobity  1.000  
 40   40  t         -91.5   113.1  Favored  ?      9   81.090   7  0.20  10  0.62  molprobity  1.000  
 41   41  t         -97.5   128.3  Favored  ?      9   83.220   7  0.31  10  0.55  molprobity  1.000  
 42   42  t        -111.1   132.4  Favored  ?      9   77.660   7  0.37  10  0.72  molprobity  1.000  
 43   43  p        -117.2   121.0  Favored  ?      7  107.640   7  0.32  10  0.66  molprobity  1.000  
 44   44  tt       -130.5   115.7  Favored  ?     11  104.680   8  0.22  11  0.86  molprobity  1.000  
 45   45  OUTLIER   -56.5   117.4  Favored  ?     13  116.770  11  0.30  14  0.67  molprobity  1.000  
 46   46  ptm180    -62.4   -30.5  Favored  ?     13  159.450  11  0.21  14  0.54  molprobity  1.000  
 47   47  pm0       -74.0   -11.6  Favored  ?      6  136.940   9  0.23  12  0.40  molprobity  1.000  
 48   48  m-20     -100.9    29.5  Favored  ?      4  136.340   8  0.23  11  0.37  molprobity  1.000  
 49   49  t80      -131.8   106.0  Favored  ?      9  126.700  12  0.36  16  0.32  molprobity  1.000  
 50   50  t0       -138.8   113.7  Favored  ?      4  151.510   8  0.28  11  0.29  molprobity  1.000  
 51   51  t        -141.1   140.7  Favored  ?      9  143.180   7  0.16  10  0.29  molprobity  1.000  
 52   52  mm-40     -51.7   119.2  Favored  ?      6  176.930   9  0.35  12  0.45  molprobity  1.000  
 53   53  ?         -69.8   174.4  Favored  ?      5  153.540   5  0.16   7  0.68  molprobity  1.000  
 54   54  ?         -84.6   162.0  Favored  ?      5  158.780   5  0.20   7  0.24  molprobity  1.000  
 55   55  m-20      -78.5  -164.8  Allowed  ?      4  214.370   8  0.15  11  0.31  molprobity  1.000  
 56   56  p         -59.4   -37.9  Favored  ?      5  198.980   6  0.17   8  0.20  molprobity  1.000  
 57   57  ?         -70.1    -8.8  Favored  ?      5  210.100   5  0.08   7  0.33  molprobity  1.000  
 58   58  ?          76.5     8.2  Favored  ?      3  205.950   4  0.26   5  0.54  molprobity  1.000  
 59   59  m-20      -73.0   115.2  Favored  ?      6  202.480   8  0.30  11  0.32  molprobity  1.000  
 60   60  m         -76.2   117.8  Favored  ?      4  203.840   6  0.19   8  0.36  molprobity  1.000  
 61   61  mt        -82.2   -69.4  Allowed  ?     11  183.490   8  0.21  11  0.30  molprobity  1.000  
 62   62  m-20      -68.6   123.7  Favored  ?      4  150.840   8  0.23  11  0.50  molprobity  1.000  
 63   63  t        -131.5   136.3  Favored  ?      5  130.830   6  0.25   8  0.50  molprobity  1.000  
 64   64  tp       -126.7   117.5  Favored  ?     11  103.920   8  0.29  11  0.47  molprobity  1.000  
 65   65  t        -134.2   158.7  Favored  ?      9   93.740   7  0.43  10  0.56  molprobity  1.000  
 66   66  m-85     -118.1   132.9  Favored  ?      9  119.650  12  0.47  16  0.40  molprobity  1.000  
 67   67  t        -102.9   110.9  Favored  ?      9  115.250   7  0.39  10  0.69  molprobity  1.000  
 68   68  ?        -122.8    78.7  Allowed  ?      5  107.670   5  0.16   7  0.30  molprobity  1.000  
 69   69  ?          60.0  -119.4  Favored  ?      3  123.190   4  0.26   5  0.43  molprobity  1.000  
 70   70  p-10      -83.5   -10.5  Favored  ?      4  148.140   8  0.17  11  0.24  molprobity  1.000  
 71   71  mtp85     -92.7   137.2  Favored  ?     13  136.000  11  0.18  14  0.36  molprobity  1.000  
 72   72  tt0      -116.0   123.2  Favored  ?      8  145.010   9  0.22  12  0.34  molprobity  1.000  
 73   73  m-85     -107.2   103.7  Favored  ?      9  103.110  12  0.33  16  0.60  molprobity  1.000  
 74   74  ?         156.9  -153.6  Favored  Y      3  112.100   4  0.32   6  1.37  molprobity  1.000  
 75   75  Cg_endo   -81.8   131.9  Favored  ?      7  130.220   8  0.24  11  0.45  molprobity  1.000  
 76   76  m-85     -109.9   127.1  Favored  ?      9  128.990  13  0.27  18  0.44  molprobity  1.000  
 77   77  p        -153.6   153.7  Favored  ?      4  148.280   6  0.13   8  0.35  molprobity  1.000  
 78   78  ?         131.2  -173.3  Favored  ?      3  141.500   4  0.28   5  0.72  molprobity  1.000  
 79   79  t60      -110.7   114.8  Favored  ?      7  139.390  11  0.20  15  0.24  molprobity  1.000  
 80   80  ?          91.2   139.9  Favored  ?      3  122.660   4  0.24   5  0.89  molprobity  1.000  
 81   81  t80       -80.9   131.0  Favored  ?      9  108.390  12  0.34  17  0.50  molprobity  1.000  
 82   82  Cg_exo    -77.8   -44.8  Allowed  ?      7  126.290   8  0.23  11  0.51  molprobity  1.000  
 83   83  ?         -87.0  -165.2  Favored  ?      3  123.820   4  0.22   6  0.61  molprobity  1.000  
 84   84  Cg_exo    -78.3   159.4  Favored  ?      7  128.230   8  0.19  11  0.48  molprobity  1.000  
 85   85  OUTLIER   -67.5   -31.5  Favored  ?     11   96.500   8  0.19  11  0.47  molprobity  1.000  
 86   86  m-20     -104.3   118.6  Favored  ?      6   98.270   8  0.18  11  0.47  molprobity  1.000  
 87   87  mt       -118.9   120.4  Favored  ?     11   99.320   8  0.18  11  0.50  molprobity  1.000  
 88   88  mt-10     -95.0   104.1  Favored  ?      6  106.950   9  0.21  12  0.28  molprobity  1.000  
 89   89  p         -67.7   -29.8  Favored  ?      7   81.060   7  0.17  10  0.71  molprobity  1.000  
 90   90  mttm       59.4    35.2  Favored  ?     13   90.610   9  0.23  11  0.44  molprobity  1.000  
 91   91  t        -141.2   145.2  Favored  ?      5   94.430   6  0.15   8  0.19  molprobity  1.000  
 92   92  p-10      -84.4   -14.4  Favored  ?      6   95.090   8  0.23  11  0.36  molprobity  1.000  
 93   93  ?        -129.8   137.0  Favored  ?      5  107.760   5  0.32   7  0.24  molprobity  1.000  
 94   94  tp       -144.5   138.3  Favored  ?     11   87.610   8  0.22  11  0.69  molprobity  1.000  
 95   95  m-20     -117.8   132.5  Favored  ?      4  120.570   8  0.26  11  0.57  molprobity  1.000  
 96   96  mm       -103.8   118.0  Favored  ?     11   91.460   8  0.45  11  0.87  molprobity  1.000  
 97   97  mm       -115.8   123.2  Favored  ?     11  105.170   8  0.26  11  0.44  molprobity  1.000  
 98   98  t80      -117.3   115.8  Favored  ?      9  135.560  12  0.39  16  0.28  molprobity  1.000  
 99   99  tp60     -102.8   118.7  Favored  ?      8  126.190   9  0.24  12  0.25  molprobity  1.000  
100  100  p        -106.9   145.6  Favored  ?      7  142.990   7  0.22  10  0.68  molprobity  1.000  
101  101  p30      -122.6   -91.0  Allowed  ?      4  185.580   8  0.21  11  0.53  molprobity  1.000  
102  102  mt       -132.1   148.1  Favored  ?     11  180.640   8  0.22  11  0.47  molprobity  1.000  
103  103  p          48.7    61.2  Favored  ?      7  207.520   7  0.27  10  0.62  molprobity  1.000  
104  104  ?         -43.8   -60.2  Favored  ?      3  215.090   4  0.13   5  0.96  molprobity  1.000  
105  105  mp0        13.9    36.3  OUTLIER  ?      8  198.600   9  0.50  12  0.99  molprobity  1.000  
106  106  mmtt     -128.2   144.0  Favored  ?     13  154.140   9  0.37  11  0.84  molprobity  1.000  
107  107  ttpt      -46.9   -61.6  Allowed  ?     13  143.290   9  0.26  11  0.60  molprobity  1.000  
108  108  ?         132.1  -147.7  Favored  ?      3  122.030   4  0.47   5  0.51  molprobity  1.000  
109  109  p-90     -134.5   154.3  Favored  ?     10  106.360  16  0.27  23  0.29  molprobity  1.000  
110  110  tttt     -149.7   131.8  Favored  ?     13  126.630   9  0.30  11  0.35  molprobity  1.000  
111  111  OUTLIER  -141.5   169.2  Favored  ?     11  100.760   8  0.24  11  0.95  molprobity  1.000  
112  112  mtt180   -129.6   150.2  Favored  ?     13  130.740  11  0.17  14  0.54  molprobity  1.000  
113  113  p90      -117.5   140.6  Favored  ?      9   93.800  13  0.53  18  0.41  molprobity  1.000  
114  114  p80      -129.3   136.3  Favored  ?      7   89.490  11  0.16  15  0.45  molprobity  1.000  
115  115  ?         -79.9   138.8  Favored  ?      3   93.110   4  0.25   5  0.41  molprobity  1.000  
116  116  t70      -134.4   128.0  Favored  ?      4  114.630   8  0.19  12  0.55  molprobity  1.000  
117  117  Cg_exo    -57.4   125.8  Favored  ?      7   99.100   8  0.18  11  0.42  molprobity  1.000  
118  118  mmm       -69.7   119.4  Favored  ?      9   99.620   8  0.17  11  0.69  molprobity  1.000  
119  119  Cg_endo   -63.2   138.1  Favored  ?      7   90.490   8  0.16  11  0.44  molprobity  1.000  
120  120  m         -99.3   107.3  Favored  ?      4   99.950   6  0.33   9  0.67  molprobity  1.000  
121  121  Cg_endo   -72.0  -174.8  Allowed  ?      7   98.980   8  0.18  11  0.51  molprobity  1.000  
122  122  tttt      -82.3   128.5  Favored  ?     13  141.340   9  0.23  11  0.55  molprobity  1.000  
123  123  mt-10     -98.5   121.7  Favored  ?      6  161.010   9  0.26  12  0.74  molprobity  1.000  
124  124  t0        -64.1   123.5  Favored  ?      4  156.000   8  0.17  11  0.32  molprobity  1.000  
125  125  p         -64.5   113.0  Favored  ?      7  146.800   7  0.30  11  0.59  molprobity  1.000  
126  126  Cg_endo   -71.3   -71.2  OUTLIER  ?      7  153.480   8  0.14  11  0.38  molprobity  1.000  
127  127  m-80     -129.3    79.8  Allowed  ?      6  170.740   8  0.22  11  0.42  molprobity  1.000  
128  128  p        -173.9   171.8  Favored  ?      5  108.450   6  0.16   8  0.29  molprobity  1.000  
129  129  t        -143.5   131.8  Favored  ?      9  116.620   7  0.23  10  0.43  molprobity  1.000  
130  130  m0        -92.8   142.2  Favored  ?     10  106.100  16  0.22  23  0.45  molprobity  1.000  
131  131  mm-40    -129.6   130.4  Favored  Y      6  150.810   9  0.27  13  0.45  molprobity  1.000  
132  132  Cg_endo   -80.1   142.9  Favored  ?      7  107.760   8  0.14  11  0.32  molprobity  1.000  
133  133  ?         -91.0    95.6  Favored  ?      5  121.050   5  0.12   7  0.26  molprobity  1.000  
134  134  pttt     -120.3  -175.0  Favored  ?     13  119.360   9  0.21  11  0.37  molprobity  1.000  
135  135  ?         -83.7   -40.0  Favored  ?      5  112.890   5  0.18   7  0.44  molprobity  1.000  
136  136  ttpp     -132.4   121.4  Favored  ?     13  121.770   9  0.41  11  0.39  molprobity  1.000  
137  137  m-85     -101.6   135.6  Favored  ?      9  117.080  13  0.71  18  0.43  molprobity  1.000  
138  138  m        -126.1   179.6  Favored  ?      9   88.060   7  0.26  10  0.73  molprobity  1.000  
139  139  t80       -44.0   137.5  Favored  ?      9  112.080  12  0.37  16  0.57  molprobity  1.000  
140  140  mtt180     76.0   -18.2  Allowed  ?     13   93.330  11  0.30  14  0.65  molprobity  1.000  
141  141  m-20      -59.3   143.6  Favored  ?      4  104.100   8  0.23  11  0.36  molprobity  1.000  
142  142  t        -118.5   142.9  Favored  ?      9   90.340   7  0.27  10  0.45  molprobity  1.000  
143  143  t        -135.2   143.6  Favored  ?      9   95.010   7  0.37  10  0.47  molprobity  1.000  
144  144  tt0      -108.3   115.3  Favored  ?      8  115.430   9  0.27  12  0.47  molprobity  1.000  
145  145  mp        -92.8   133.3  Favored  ?     11   95.950   8  0.27  11  0.61  molprobity  1.000  
146  146  m        -122.2   119.0  Favored  ?      7  111.490   7  0.21  10  0.47  molprobity  1.000  
147  147  m         -68.1   145.4  Favored  ?      4  140.130   6  0.24   8  0.37  molprobity  1.000  
148  148  mt        -68.8  -173.9  Allowed  ?     11  130.590   8  0.19  11  0.46  molprobity  1.000  
149  149  m-20      -81.3   111.8  Favored  ?      4  155.740   8  0.18  11  0.37  molprobity  1.000  
150  150  ?         114.2     0.7  Favored  ?      3  113.790   4  0.27   5  0.45  molprobity  1.000  
151  151  m-85     -128.9   148.8  Favored  ?      9  113.920  12  0.39  16  0.25  molprobity  1.000  
152  152  tt0      -143.5   158.9  Favored  ?      6  123.170   9  0.22  12  0.37  molprobity  1.000  
153  153  t         -90.3   119.7  Favored  ?      9  142.800   7  0.21  10  0.53  molprobity  1.000  
154  154  t         -48.8   -62.4  Allowed  ?      9  150.020   7  0.27  10  1.00  molprobity  1.000  
155  155  mt-10     -72.7    16.2  Allowed  ?      6  163.690   9  0.27  12  0.42  molprobity  1.000  
156  156  ?             ?       ?  ?        ?      3  122.830   3  0.25   2  0.44  molprobity  1.000  
157  157  ?             ?       ?  ?        ?      4   89.590   5  0.15   7  0.36  molprobity  1.000  
158  158  OUTLIER  -108.2    -6.2  Favored  ?      7  100.130   7  0.26  10  0.61  molprobity  1.000  
159  159  OUTLIER  -137.9   139.7  Favored  ?      5  112.110   6  0.18   8  0.32  molprobity  1.000  
160  160  p90      -142.4   163.4  Favored  ?      9  100.070  12  0.36  16  0.48  molprobity  1.000  
161  161  m-85     -126.8   128.7  Favored  ?      9  120.250  13  0.32  18  0.37  molprobity  1.000  
162  162  p        -139.2   141.0  Favored  ?      5   93.170   6  0.28   8  0.45  molprobity  1.000  
163  163  OUTLIER   -93.4   167.0  Favored  ?      7   91.640   7  0.31  10  0.75  molprobity  1.000  
164  164  t         -87.4   139.2  Favored  ?      4  119.010   6  0.28   8  0.66  molprobity  1.000  
165  165  mt-30    -104.4   172.6  Favored  ?      8  113.930   9  0.18  12  0.57  molprobity  1.000  
166  166  p         -63.5   -20.4  Favored  ?      5  109.220   6  0.19   8  0.36  molprobity  1.000  
167  167  p30       -91.9     3.8  Favored  ?      6  116.520   8  0.18  11  0.37  molprobity  1.000  
168  168  ?          74.2    13.4  Favored  ?      3  105.800   4  0.25   5  0.19  molprobity  1.000  
169  169  mttp     -117.3   140.7  Favored  ?     13  118.250   9  0.24  11  0.25  molprobity  1.000  
170  170  m95       -68.9   134.9  Favored  ?     10  104.500  16  0.19  23  0.18  molprobity  1.000  
171  171  p         -64.4   141.0  Favored  ?      5   98.880   6  0.27   8  0.46  molprobity  1.000  
172  172  m-20       56.2    41.9  Favored  ?      6  121.710   8  0.15  11  0.47  molprobity  1.000  
173  173  t         -61.7   -31.3  Favored  ?      5  122.690   6  0.20   8  0.71  molprobity  1.000  
174  174  pttt      -50.0   -47.8  Favored  ?     13  151.060   9  0.27  11  0.35  molprobity  1.000  
175  175  mt        -68.8   129.6  Favored  ?     11  106.230   8  0.21  11  0.39  molprobity  1.000  
176  176  mttt     -135.2   178.2  Favored  ?     13  118.570   9  0.28  11  0.38  molprobity  1.000  
177  177  m         -97.3   104.3  Favored  ?      4  171.020   6  0.16   8  0.44  molprobity  1.000  
178  178  mt-30     -93.6   153.9  Favored  ?      8  136.220   9  0.32  13  0.69  molprobity  1.000  
179  179  Cg_endo   -57.5   144.3  Favored  ?      7  123.500   8  0.25  11  0.36  molprobity  1.000  
180  180  p         -69.3   140.4  Favored  ?      9  115.250   7  0.31  10  0.28  molprobity  1.000  
181  181  t0       -118.5   110.4  Favored  ?      4  111.900   8  0.19  11  0.31  molprobity  1.000  
182  182  m         -70.7    -7.7  Favored  ?      4  122.540   6  0.13   8  0.46  molprobity  1.000  
183  183  ?          92.0  -164.3  Favored  ?      3  126.840   4  0.22   5  0.22  molprobity  1.000  
184  184  tp        -84.0   142.7  Favored  ?     11  126.610   8  0.25  12  0.43  molprobity  1.000  
185  185  Cg_exo    -60.4   131.8  Favored  ?      7  118.630   8  0.14  11  0.40  molprobity  1.000  
186  186  mt-10     -68.6   152.1  Favored  ?      6  145.480   9  0.32  12  0.48  molprobity  1.000  
187  187  p        -106.9   151.5  Favored  ?      5  119.350   6  0.19   8  0.34  molprobity  1.000  
188  188  pt       -109.3   141.7  Favored  ?     11  113.340   8  0.24  11  0.46  molprobity  1.000  
189  189  mt-10     -63.3   138.4  Favored  ?      6  143.820   9  0.27  12  0.44  molprobity  1.000  
190  190  m-80       62.2    19.2  Favored  ?      6  139.340   8  0.24  11  0.43  molprobity  1.000  
191  191  ?        -145.4   147.5  Favored  ?      3  126.170   4  0.22   5  0.22  molprobity  1.000  
192  192  ttpp     -114.9   129.2  Favored  ?     13  132.280   9  0.30  11  0.32  molprobity  1.000  
193  193  OUTLIER  -101.7   118.9  Favored  ?      9  136.380   7  0.15  10  0.27  molprobity  1.000  
194  194  tp10      -84.1   108.1  Favored  ?      6  174.590   9  0.33  12  0.43  molprobity  1.000  
195  195  m-20      -58.7   143.9  Favored  ?      4  171.070   8  0.14  12  0.65  molprobity  1.000  
196  196  Cg_endo  -100.7  -174.5  Allowed  ?      7  131.970   8  0.19  11  0.51  molprobity  1.000  
197  197  mp0       -85.3   -20.9  Favored  ?      6  165.120   9  0.33  12  0.41  molprobity  1.000  
198  198  t        -140.6   125.8  Favored  ?      5  113.340   6  0.22   8  0.35  molprobity  1.000  
199  199  p         -93.2    11.3  Favored  ?      7   93.540   7  0.25  10  0.74  molprobity  1.000  
200  200  mt        -89.4  -173.2  Favored  ?     11  104.400   8  0.17  11  0.66  molprobity  1.000  
201  201  t80       -60.3   149.7  Favored  ?      9  155.890  12  0.34  16  0.28  molprobity  1.000  
202  202  ?          77.6   -11.6  Favored  ?      3  147.600   4  0.27   5  0.44  molprobity  1.000  
203  203  p         -75.2   151.8  Favored  ?      5  140.900   6  0.13   8  0.25  molprobity  1.000  
204  204  m        -125.1   138.7  Favored  ?      9  132.430   7  0.17  10  0.34  molprobity  1.000  
205  205  pt       -127.0   157.9  Favored  ?     11  114.260   8  0.21  11  0.63  molprobity  1.000  
206  206  ptt180   -132.2   131.1  Favored  ?     13  150.150  11  0.24  14  0.78  molprobity  1.000  
207  207  m-85      -75.5   156.0  Favored  ?      9  123.730  13  0.35  18  0.35  molprobity  1.000  
208  208  p        -139.3   165.8  Favored  ?      7  139.470   7  0.23  10  0.62  molprobity  1.000  
209  209  m        -115.7   162.2  Favored  ?      4  144.240   6  0.17   8  0.31  molprobity  1.000  
210  210  mt-10     -69.9    97.7  Allowed  ?      6  144.360   9  0.28  12  0.42  molprobity  1.000  
211  211  mt-10     -95.3   141.3  Favored  Y      6  142.950   9  0.18  13  0.60  molprobity  1.000  
212  212  Cg_endo   -98.1    32.1  Favored  ?      7  135.530   8  0.22  11  0.42  molprobity  1.000  
213  213  m-85      -80.0   -38.8  Favored  ?      9  134.380  13  0.34  18  0.40  molprobity  1.000  
214  214  m-85     -127.5   146.2  Favored  ?      9  163.760  13  0.29  18  0.21  molprobity  1.000  
215  215  m-85     -131.3  -174.8  Favored  ?      9  170.550  13  0.48  18  0.68  molprobity  1.000  
216  216  mmt       -57.1   -78.0  OUTLIER  ?      9  178.990   8  0.21  10  0.86  molprobity  1.000  
217  217  tm-20      59.7    34.6  Favored  ?      6  213.560   9  0.31  12  0.49  molprobity  1.000  
218  218  p30       -96.6   -61.0  Allowed  ?      6  231.930   8  0.38  11  0.52  molprobity  1.000  
219  219  ?         100.7    14.7  Favored  ?      3  262.690   4  0.20   5  0.55  molprobity  1.000  
220  220  ?         115.1     7.2  Favored  ?      3  231.670   4  0.19   5  0.41  molprobity  1.000  
221  221  ?         -77.8  -168.6  Favored  ?      3  189.190   4  0.20   5  0.17  molprobity  1.000  
222  222  ?         111.7   -52.9  Allowed  ?      3  157.710   4  0.26   5  0.37  molprobity  1.000  
223  223  tt0       -81.0   124.5  Favored  ?      6  177.820   9  0.19  12  0.32  molprobity  1.000  
224  224  m-85     -124.2   160.4  Favored  ?      9  130.380  13  0.33  18  0.46  molprobity  1.000  
225  225  p-80     -140.5   153.3  Favored  ?      7  156.380  11  0.23  15  0.27  molprobity  1.000  
226  226  t         -82.5   119.9  Favored  ?      4  114.530   6  0.40   8  0.24  molprobity  1.000  
227  227  ?        -107.6   173.6  Favored  ?      5  123.700   5  0.20   7  0.16  molprobity  1.000  
228  228  ?         -64.6   -12.6  Favored  ?      3  171.140   4  0.20   5  0.31  molprobity  1.000  
229  229  t-20      -66.7   -13.9  Favored  ?      6  173.730   8  0.24  11  0.33  molprobity  1.000  
230  230  ?          76.4    33.9  Favored  ?      3  166.590   4  0.28   5  0.87  molprobity  1.000  
231  231  p        -148.7   144.0  Favored  ?      5  150.320   6  0.19   8  0.29  molprobity  1.000  
232  232  m95       -76.7   131.8  Favored  ?     10  146.960  16  0.22  23  0.22  molprobity  1.000  
233  233  m        -134.9   152.6  Favored  ?      9  138.210   7  0.17  10  0.61  molprobity  1.000  
234  234  t-20     -111.4   146.5  Favored  ?      6  132.100   8  0.32  11  0.28  molprobity  1.000  
235  235  pt-20     -59.1   -29.9  Favored  ?      6  175.800   9  0.27  12  0.35  molprobity  1.000  
236  236  t         -98.6   -64.2  Allowed  ?      9  138.660   7  0.27  10  0.58  molprobity  1.000  
237  237  mp        -71.8   -29.0  Favored  ?     11  144.090   8  0.21  11  0.47  molprobity  1.000  
238  238  ?          78.5  -132.3  Favored  ?      3  137.740   4  0.27   6  0.73  molprobity  1.000  
239  239  Cg_endo   -72.1   -18.0  Favored  ?      7  141.840   8  0.23  11  0.39  molprobity  1.000  
240  240  mm-40     -94.8   150.7  Favored  ?      6  165.800   9  0.55  12  0.76  molprobity  1.000  
241  241  mp        -93.7   154.7  Favored  ?     11  152.240   8  0.31  12  0.72  molprobity  1.000  
242  242  Cg_exo    -62.5   166.7  Favored  ?      7  133.660   8  0.22  11  0.46  molprobity  1.000  
243  243  mtpt     -118.2   128.3  Favored  ?     13  168.140   9  0.26  11  0.33  molprobity  1.000  
244  244  m         -92.6   130.0  Favored  ?      4  155.720   6  0.12   8  0.29  molprobity  1.000  
245  245  m        -129.3   146.6  Favored  ?      9  147.690   7  0.31  11  0.71  molprobity  1.000  
246  246  Cg_exo        ?       ?  ?        ?      7  122.700   7  0.22   8  0.44  molprobity  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   15  HB3    1  0.58  1.69  
 2   15  O      2  0.42  2.19  
 3   17  HB3    3  0.74  1.69  
 4   18  CG     4  0.43  2.53  
 5   18  HB2    2  0.42  2.19  
 6   18  CD1    5  0.40  2.56  
 7   19  HA     4  0.43  2.53  
 8   19  HA     5  0.40  2.56  
 9   20  HD2    3  0.74  1.69  
10   21  HA     6  0.45  2.17  
11   24  HB2    7  0.50  2.11  
12   26  H      8  0.55  1.53  
13   28  HB2    9  0.53  1.90  
14   28  O     10  0.40  2.21  
15   30  HB2   11  0.60  1.83  
16   32  O     12  0.44  2.18  
17   33  HH21  13  0.49  1.77  
18   33  NH2   14  0.48  2.29  
19   33  HD3   12  0.44  2.18  
20   36  HG2   15  0.55  1.89  
21   38  HE1   16  0.51  1.76  
22   39  HB3   17  0.48  2.53  
23   40  O     18  0.53  2.21  
24   44  HD12  19  0.70  1.74  
25   44  HD21  20  0.69  1.75  
26   45  HB3   21  0.63  1.81  
27   48  HB2   21  0.63  1.81  
28   48  O     22  0.46  2.15  
29   49  HB2   20  0.69  1.75  
30   50  HB3   23  0.46  1.80  
31   64  HB2   24  0.48  1.78  
32   64  HB2   25  0.43  2.53  
33   81  HA    26  0.41  1.68  
34   82  HD3   26  0.41  1.68  
35   89  OG1   18  0.53  2.21  
36   91  OG    27  0.48  2.30  
37   93  HB1   13  0.49  1.77  
38   93  HB1   14  0.48  2.29  
39   93  O     27  0.48  2.30  
40   96  HB    11  0.60  1.83  
41   97  HA    10  0.40  2.21  
42   98  HB3    9  0.53  1.90  
43   98  HD2   24  0.48  1.78  
44   98  CD2   25  0.43  2.53  
45  100  HG1    8  0.55  1.53  
46  101  O      7  0.50  2.11  
47  104  O     28  0.68  2.27  
48  106  N     28  0.68  2.27  
49  106  O      6  0.45  2.17  
50  107  HB3   29  0.41  1.79  
51  107  HE2   29  0.41  1.79  
52  108  H     23  0.46  1.80  
53  109  H      1  0.58  1.69  
54  109  HA    22  0.46  2.15  
55  111  HB3   19  0.70  1.74  
56  116  HA    30  0.45  1.87  
57  117  HG3   16  0.51  1.76  
58  117  HD3   30  0.45  1.87  
59  118  SD    17  0.48  2.53  
60  119  HA    31  0.73  1.71  
61  120  HB3   32  0.45  2.52  
62  133  HA    33  0.42  2.20  
63  137  OH    33  0.42  2.20  
64  138  HA    31  0.73  1.71  
65  142  HG22  34  0.49  1.94  
66  144  OE1   35  0.45  2.34  
67  145  HD13  36  0.41  2.56  
68  146  OG1   35  0.45  2.34  
69  160  CE1   36  0.41  2.56  
70  163  HG22  34  0.49  1.94  
71  166  HB2   15  0.55  1.89  
72  170  CE2   32  0.45  2.52  
73  172  HB3   37  0.44  2.00  
74  175  HG    37  0.44  2.00  
75  195  HA    38  0.41  1.90  
76  196  HD3   38  0.41  1.90  
77  197  OE1   39  0.52  2.41  
78  197  N     39  0.52  2.41  
79  200  O     40  0.51  2.26  
80  203  OG    40  0.51  2.26  
81  215  N     41  0.41  2.44  
82  216  SD    42  0.51  2.84  
83  218  OD1   43  0.60  2.34  
84  218  ND2   42  0.51  2.84  
85  219  N     43  0.60  2.34  
86  245  O     41  0.41  2.44  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   6   0.636  0.232   1.145  
  2    2   6   0.626  0.334   2.088  
  3    3   4   0.607  0.186   0.148  
  4    4   8   0.499  0.306   1.414  
  5    5   7   0.721  0.509   3.763  
  6    6  11   0.566  0.430   2.649  
  7    7   7   0.734  0.280   1.310  
  8    8   5   0.753  0.227   0.536  
  9    9   8   0.642  0.331   1.407  
 10   10   8   0.666  0.417   2.512  
 11   11   4   0.835  0.262   1.037  
 12   12   9   0.814  0.342   1.286  
 13   13   8   0.709  0.368   1.912  
 14   14   5   0.904  0.223   0.486  
 15   15   6   0.867  0.230   0.700  
 16   16   7   0.787  0.270   1.105  
 17   17   8   0.537  0.241   0.673  
 18   18  12   0.596  0.383   2.412  
 19   19   7   0.655  0.293   1.399  
 20   20   9   0.606  0.419   1.761  
 21   21   7   0.789  0.352   2.155  
 22   22  12   0.801  0.346   1.928  
 23   23   7   0.621  0.335   1.937  
 24   24   9   0.728  0.236   0.124  
 25   25   8   0.866  0.244   0.712  
 26   26   6   0.715  0.173  -0.061  
 27   27  11   0.795  0.214  -0.128  
 28   28   6   0.876  0.243   1.319  
 29   29   9   0.814  0.299   0.815  
 30   30  12   0.741  0.473   3.588  
 31   31   9   0.792  0.359   1.763  
 32   32   8   0.790  0.485   3.346  
 33   33  11   0.716  0.396   1.802  
 34   34   8   0.808  0.396   2.195  
 35   35   9   0.669  0.260   0.387  
 36   36   9   0.776  0.364   1.209  
 37   37   4   0.855  0.248   0.874  
 38   38  11   0.667  0.334   1.499  
 39   39   9   0.843  0.309   1.167  
 40   40   7   0.766  0.364   1.979  
 41   41   7   0.889  0.396   2.373  
 42   42   7   0.913  0.327   1.524  
 43   43   7   0.913  0.343   2.167  
 44   44   8   0.793  0.381   2.013  
 45   45  11   0.735  0.305   0.837  
 46   46  11   0.811  0.345   1.261  
 47   47   9   0.727  0.290   0.716  
 48   48   8   0.556  0.336   1.786  
 49   49  11   0.841  0.475   3.188  
 50   50   8   0.592  0.239   0.581  
 51   51   7   0.871  0.395   2.360  
 52   52   9   0.612  0.432   2.273  
 53   53   5   0.729  0.406   2.751  
 54   54   5   0.540  0.341   1.947  
 55   55   8   0.342  0.315   1.525  
 56   56   6   0.692  0.358   2.409  
 57   57   5   0.720  0.482   3.692  
 58   58   4   0.460  0.392   2.560  
 59   59   8   0.607  0.371   2.381  
 60   60   6   0.571  0.341   2.864  
 61   61   8   0.803  0.371   1.892  
 62   62   8   0.708  0.357   2.047  
 63   63   6   0.803  0.242   0.860  
 64   64   8   0.822  0.518   3.676  
 65   65   7   0.882  0.277   0.909  
 66   66  11   0.758  0.484   3.296  
 67   67   7   0.915  0.356   1.881  
 68   68   5   0.874  0.321   1.699  
 69   69   4   0.287  0.327   1.799  
 70   70   8   0.598  0.355   2.022  
 71   71  11   0.813  0.278   0.550  
 72   72   9   0.851  0.383   2.049  
 73   73  11   0.894  0.286   0.925  
 74   74   4   0.595  0.278   1.225  
 75   75   7   0.720  0.263   1.015  
 76   76  12   0.800  0.368   2.216  
 77   77   6   0.627  0.290   2.060  
 78   78   4   0.376  0.437   3.087  
 79   79  10   0.713  0.279   1.162  
 80   80   4   0.848  0.311   1.611  
 81   81  11   0.641  0.348   1.667  
 82   82   7   0.747  0.379   2.501  
 83   83   4   0.813  0.239   0.768  
 84   84   7   0.645  0.282   1.259  
 85   85   8   0.787  0.353   1.674  
 86   86   8   0.688  0.304   1.501  
 87   87   8   0.857  0.360   1.814  
 88   88   9   0.859  0.274   0.541  
 89   89   7   0.902  0.235   0.698  
 90   90   9   0.830  0.306   0.627  
 91   91   6   0.794  0.436   3.450  
 92   92   8   0.852  0.296   1.396  
 93   93   5   0.876  0.352   2.083  
 94   94   8   0.911  0.387   2.086  
 95   95   8   0.848  0.390   2.457  
 96   96   8   0.897  0.374   1.985  
 97   97   8   0.856  0.362   1.838  
 98   98  11   0.859  0.429   2.637  
 99   99   9   0.760  0.247   0.428  
100  100   7   0.869  0.275   1.242  
101  101   8   0.731  0.270   0.966  
102  102   8   0.819  0.415   2.426  
103  103   7   0.417  0.316   1.800  
104  104   4  -0.077  0.754   6.799  
105  105   9   0.416  0.399   2.240  
106  106   9   0.811  0.371   1.279  
107  107   9   0.751  0.403   1.600  
108  108   4   0.596  0.194   0.241  
109  109  14   0.849  0.319   1.754  
110  110   9   0.812  0.452   2.092  
111  111   8   0.841  0.352   1.661  
112  112  11   0.805  0.340   1.208  
113  113  12   0.781  0.348   1.954  
114  114  10   0.766  0.316   1.645  
115  115   4   0.913  0.351   2.080  
116  116   8   0.738  0.405   2.643  
117  117   7   0.817  0.256   0.926  
118  118   8   0.895  0.179  -0.149  
119  119   7   0.886  0.198   0.183  
120  120   6   0.634  0.224   1.019  
121  121   7   0.790  0.286   1.310  
122  122   9   0.685  0.428   1.851  
123  123   9   0.555  0.379   1.692  
124  124   8   0.742  0.200   0.097  
125  125   7   0.060  0.349   2.249  
126  126   7   0.645  0.347   2.091  
127  127   8   0.750  0.307   1.540  
128  128   6   0.742  0.166  -0.155  
129  129   7   0.854  0.314   1.364  
130  130  14   0.754  0.371   2.482  
131  131   9   0.787  0.339   1.253  
132  132   7   0.795  0.186   0.029  
133  133   5   0.828  0.202   0.226  
134  134   9   0.795  0.270   0.265  
135  135   5   0.830  0.241   0.709  
136  136   9   0.746  0.553   3.106  
137  137  12   0.798  0.331   1.732  
138  138   7   0.818  0.285   1.007  
139  139  11   0.864  0.407   2.374  
140  140  11   0.812  0.275   0.519  
141  141   8   0.813  0.291   1.227  
142  142   7   0.883  0.260   0.700  
143  143   7   0.858  0.463   3.197  
144  144   9   0.717  0.295   1.000  
145  145   8   0.772  0.470   3.162  
146  146   7   0.869  0.245   0.834  
147  147   6   0.776  0.317   2.486  
148  148   8   0.836  0.271   0.678  
149  149   8   0.780  0.383   2.370  
150  150   4   0.784  0.493   3.742  
151  151  11   0.654  0.243   0.410  
152  152   9   0.774  0.237   0.135  
153  153   7   0.862  0.450   3.037  
154  154   7   0.685  0.329   1.549  
155  155   9   0.468  0.350   1.374  
156  156   4   0.364  0.193   0.230  
157  157   5   0.561  0.237   0.660  
158  158   7   0.830  0.255   0.970  
159  159   6   0.813  0.261   1.113  
160  160  11   0.785  0.441   2.781  
161  161  12   0.678  0.436   3.105  
162  162   6   0.829  0.316   1.848  
163  163   7   0.890  0.226   0.576  
164  164   6   0.791  0.200   0.640  
165  165   9   0.744  0.342   1.560  
166  166   6   0.754  0.263   1.140  
167  167   8   0.627  0.239   0.647  
168  168   4   0.686  0.250   0.897  
169  169   9   0.845  0.324   0.807  
170  170  14   0.691  0.368   2.440  
171  171   6   0.895  0.280   1.367  
172  172   8   0.706  0.307   1.540  
173  173   6   0.621  0.247   0.927  
174  174   9   0.771  0.359   1.159  
175  175   8   0.803  0.337   1.479  
176  176   9   0.688  0.286   0.426  
177  177   6   0.601  0.498   5.341  
178  178   9   0.728  0.357   1.739  
179  179   7   0.851  0.211   0.350  
180  180   7   0.849  0.271   0.835  
181  181   8   0.754  0.239   0.581  
182  182   6   0.677  0.245   1.350  
183  183   4   0.742  0.402   2.677  
184  184   8   0.803  0.348   1.667  
185  185   7   0.829  0.268   1.079  
186  186   9   0.745  0.255   0.332  
187  187   6   0.842  0.234   0.753  
188  188   8   0.816  0.287   0.919  
189  189   9   0.703  0.334   1.198  
190  190   8   0.832  0.247   0.752  
191  191   4   0.812  0.214   0.475  
192  192   9   0.740  0.343   0.998  
193  193   7   0.906  0.325   1.499  
194  194   9   0.659  0.429   2.240  
195  195   8   0.650  0.311   1.476  
196  196   7   0.670  0.293   1.399  
197  197   9   0.628  0.346   1.330  
198  198   6   0.806  0.202   0.326  
199  199   7   0.787  0.279   1.297  
200  200   8   0.847  0.189  -0.317  
201  201  11   0.648  0.481   3.260  
202  202   4   0.674  0.426   2.958  
203  203   6   0.765  0.306   1.714  
204  204   7   0.869  0.250   0.577  
205  205   8   0.837  0.331   1.458  
206  206  11   0.805  0.505   2.958  
207  207  12   0.835  0.333   1.758  
208  208   7   0.830  0.253   0.943  
209  209   6   0.751  0.201   0.656  
210  210   9   0.734  0.484   2.843  
211  211   9   0.705  0.353   1.407  
212  212   7   0.788  0.257   0.939  
213  213  12   0.792  0.440   3.157  
214  214  12   0.661  0.428   3.000  
215  215  12   0.587  0.277   1.026  
216  216   8   0.539  0.319   1.623  
217  217   9   0.469  0.255   0.332  
218  218   8   0.520  0.408   2.867  
219  219   4   0.370  0.782   7.126  
220  220   4   0.190  0.461   3.368  
221  221   4   0.511  0.368   2.279  
222  222   4   0.708  0.435   3.063  
223  223   9   0.760  0.347   1.341  
224  224  12   0.817  0.295   1.261  
225  225  10   0.836  0.401   2.755  
226  226   6   0.795  0.213   0.845  
227  227   5   0.765  0.224   0.499  
228  228   4   0.844  0.254   0.944  
229  229   8   0.673  0.265   0.988  
230  230   4   0.829  0.246   0.850  
231  231   6   0.801  0.249   0.953  
232  232  14   0.729  0.388   2.720  
233  233   7   0.914  0.361   1.942  
234  234   8   0.817  0.283   1.225  
235  235   9   0.745  0.380   1.703  
236  236   7   0.890  0.318   1.413  
237  237   8   0.856  0.338   1.492  
238  238   4   0.745  0.228   0.639  
239  239   7   0.859  0.371   2.398  
240  240   9   0.623  0.279   0.595  
241  241   8   0.850  0.390   2.123  
242  242   7   0.892  0.236   0.670  
243  243   9   0.692  0.415   1.721  
244  244   6   0.714  0.273   1.792  
245  245   7   0.809  0.226   0.282  
246  246   7   0.789  0.160  -0.303  
#
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          2.37.1                                                                Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.20.1                                                                Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
