data_6YNG

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6YNG
#
_pdbx_vrpt_summary.entry_id                    6YNG
_pdbx_vrpt_summary.PDB_deposition_date         2020-04-13
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-02-14
_pdbx_vrpt_summary.report_creation_date        2024-02-07:00:06
_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  Granulin
#
_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  pdb  
2  all  "electron microscopy"  
#
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   89.68  158937  ?     ?     
 2  2  1   89.69    4297  ?     ?     
 3  1  2  100.00  154571  ?     ?     
 4  2  2  100.00    4023  ?     ?     
 5  1  3   60.64  154315  ?     ?     
 6  2  3   37.85    3826  ?     ?     
 7  1  4   41.23  127900  ?     ?     
 8  2  4   -1.00       0  ?     ?     
 9  1  5   19.18  130704  ?     ?     
10  2  5   -1.00       0  ?     ?     
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   58.54  
4  6  3  A  1  1  A   86.09  
5  7  4  A  1  1  A   41.23  
6  8  4  A  1  1  A   31.48  
#
_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      0.54
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.28
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   2107
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2857
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.79
_pdbx_vrpt_summary_geometry.clashscore                     1.73
_pdbx_vrpt_summary_geometry.num_H_reduce                   1994
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 2107
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.28
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2857
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.54
#
_pdbx_vrpt_summary_diffraction.exp_method                ?
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 145.938
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            10.248
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         49.923
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.05(2.85A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4006
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.451
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.281
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.451
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.272
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.903
_pdbx_vrpt_summary_diffraction.twin_fraction             -l,-k,-h:0.064
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.83
_pdbx_vrpt_summary_diffraction.EDS_res_low               29.92
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[49.923,49.923,49.923,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.000
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.76% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         88.04
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      400
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.99
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.70
#
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    6  SER  A    6  .  ?        ?  
  2  1  1  A    7  LEU  A    7  .  ?        ?  
  3  1  1  A    8  ARG  A    8  .  ?        ?  
  4  1  1  A    9  TYR  A    9  .  ?        ?  
  5  1  1  A   10  SER  A   10  .  ?        ?  
  6  1  1  A   11  ARG  A   11  .  ?        ?  
  7  1  1  A   12  HIS  A   12  .  ?        ?  
  8  1  1  A   13  ASP  A   13  .  ?        ?  
  9  1  1  A   14  GLY  A   14  .  ?        ?  
 10  1  1  A   15  THR  A   15  .  ?        ?  
 11  1  1  A   16  SER  A   16  .  ?        ?  
 12  1  1  A   17  CYS  A   17  .  ?        ?  
 13  1  1  A   18  VAL  A   18  .  ?        ?  
 14  1  1  A   19  ILE  A   19  .  ?        ?  
 15  1  1  A   20  ASP  A   20  .  ?        ?  
 16  1  1  A   21  ASN  A   21  .  ?        ?  
 17  1  1  A   22  HIS  A   22  .  ?        ?  
 18  1  1  A   23  HIS  A   23  .  ?        ?  
 19  1  1  A   24  LEU  A   24  .  ?        ?  
 20  1  1  A   25  LYS  A   25  .  ?        ?  
 21  1  1  A   26  SER  A   26  .  ?        ?  
 22  1  1  A   27  LEU  A   27  .  ?        ?  
 23  1  1  A   28  GLY  A   28  .  ?        ?  
 24  1  1  A   29  ALA  A   29  .  ?        ?  
 25  1  1  A   30  VAL  A   30  .  ?        ?  
 26  1  1  A   31  LEU  A   31  .  ?        ?  
 27  1  1  A   32  ASN  A   32  .  ?        ?  
 28  1  1  A   33  ASP  A   33  .  ?        ?  
 29  1  1  A   34  VAL  A   34  .  ?        ?  
 30  1  1  A   35  ARG  A   35  .  ?        ?  
 31  1  1  A   36  ARG  A   36  A  ?        ?  
 32  1  1  A   36  ARG  A   36  B  ?        ?  
 33  1  1  A   37  LYS  A   37  .  ?        ?  
 34  1  1  A   38  LYS  A   38  .  ?        ?  
 35  1  1  A   39  ASP  A   39  .  ?        ?  
 36  1  1  A   40  ARG  A   40  .  ?        ?  
 37  1  1  A   41  ILE  A   41  .  ?        ?  
 38  1  1  A   42  ARG  A   42  .  ?        ?  
 39  1  1  A   43  GLU  A   43  .  ?        ?  
 40  1  1  A   44  ALA  A   44  .  ?        ?  
 41  1  1  A   45  GLU  A   45  .  ?        ?  
 42  1  1  A   46  TYR  A   46  .  ?        ?  
 43  1  1  A   47  GLU  A   47  .  ?        1  
 44  1  1  A   48  PRO  A   48  .  ?        1  
 45  1  1  A   49  ILE  A   49  .  ?        ?  
 46  1  1  A   50  ILE  A   50  .  ?        ?  
 47  1  1  A   51  ASP  A   51  .  ?        ?  
 48  1  1  A   52  ILE  A   52  .  ?        ?  
 49  1  1  A   53  ALA  A   53  .  ?        ?  
 50  1  1  A   54  ASP  A   54  .  ?        ?  
 51  1  1  A   55  GLN  A   55  .  ?        ?  
 52  1  1  A   56  TYR  A   56  .  ?        ?  
 53  1  1  A   57  MET  A   57  .  ?        ?  
 54  1  1  A   58  VAL  A   58  .  ?        ?  
 55  1  1  A   59  THR  A   59  .  ?        ?  
 56  1  1  A   60  GLU  A   60  .  ?        ?  
 57  1  1  A   61  ASP  A   61  .  ?        ?  
 58  1  1  A   62  PRO  A   62  .  ?        ?  
 59  1  1  A   63  PHE  A   63  .  ?        ?  
 60  1  1  A   64  ARG  A   64  .  ?        ?  
 61  1  1  A   65  GLY  A   65  .  ?        ?  
 62  1  1  A   66  PRO  A   66  .  ?        ?  
 63  1  1  A   67  GLY  A   67  .  ?        ?  
 64  1  1  A   68  LYS  A   68  .  ?        ?  
 65  1  1  A   69  ASN  A   69  .  ?        ?  
 66  1  1  A   70  VAL  A   70  .  ?        ?  
 67  1  1  A   71  ARG  A   71  .  ?        ?  
 68  1  1  A   72  ILE  A   72  .  ?        ?  
 69  1  1  A   73  THR  A   73  .  ?        ?  
 70  1  1  A   74  LEU  A   74  .  ?        ?  
 71  1  1  A   75  PHE  A   75  .  ?        ?  
 72  1  1  A   76  LYS  A   76  .  ?        1  
 73  1  1  A   77  GLU  A   77  .  ?        ?  
 74  1  1  A   78  ILE  A   78  .  ?        ?  
 75  1  1  A   79  ARG  A   79  .  ?        ?  
 76  1  1  A   80  ARG  A   80  .  ?        ?  
 77  1  1  A   81  VAL  A   81  .  ?        ?  
 78  1  1  A   82  HIS  A   82  .  ?        1  
 79  1  1  A   83  PRO  A   83  .  ?        ?  
 80  1  1  A   84  ASP  A   84  .  ?        ?  
 81  1  1  A   85  THR  A   85  .  ?        ?  
 82  1  1  A   86  MET  A   86  .  ?        ?  
 83  1  1  A   87  LYS  A   87  .  ?        ?  
 84  1  1  A   88  LEU  A   88  .  ?        ?  
 85  1  1  A   89  VAL  A   89  .  ?        ?  
 86  1  1  A   90  CYS  A   90  .  ?        ?  
 87  1  1  A   91  ASN  A   91  .  ?        ?  
 88  1  1  A   92  TRP  A   92  .  ?        1  
 89  1  1  A   93  SER  A   93  .  ?        ?  
 90  1  1  A   94  GLY  A   94  .  ?        ?  
 91  1  1  A   95  LYS  A   95  .  ?        ?  
 92  1  1  A   96  GLU  A   96  .  ?        ?  
 93  1  1  A   97  PHE  A   97  .  ?        ?  
 94  1  1  A   98  LEU  A   98  .  ?        ?  
 95  1  1  A   99  ARG  A   99  .  ?        ?  
 96  1  1  A  100  GLU  A  100  .  ?        ?  
 97  1  1  A  101  THR  A  101  .  ?        ?  
 98  1  1  A  102  TRP  A  102  .  ?        ?  
 99  1  1  A  103  THR  A  103  .  ?        ?  
100  1  1  A  104  ARG  A  104  .  ?        ?  
101  1  1  A  105  PHE  A  105  .  ?        ?  
102  1  1  A  106  ILE  A  106  .  ?        ?  
103  1  1  A  107  SER  A  107  .  ?        ?  
104  1  1  A  108  GLU  A  108  .  ?        ?  
105  1  1  A  109  GLU  A  109  .  ?        ?  
106  1  1  A  110  PHE  A  110  .  ?        ?  
107  1  1  A  111  PRO  A  111  .  ?        ?  
108  1  1  A  112  ILE  A  112  .  ?        ?  
109  1  1  A  113  THR  A  113  .  ?        ?  
110  1  1  A  114  THR  A  114  .  ?        ?  
111  1  1  A  115  ASP  A  115  .  ?        ?  
112  1  1  A  116  GLN  A  116  .  ?        ?  
113  1  1  A  117  GLU  A  117  .  ?        ?  
114  1  1  A  118  ILE  A  118  .  ?        ?  
115  1  1  A  119  MET  A  119  .  ?        ?  
116  1  1  A  120  ASP  A  120  .  ?        ?  
117  1  1  A  121  LEU  A  121  .  ?        ?  
118  1  1  A  122  TRP  A  122  .  ?        ?  
119  1  1  A  123  PHE  A  123  .  ?        ?  
120  1  1  A  124  GLU  A  124  .  ?        ?  
121  1  1  A  125  LEU  A  125  .  ?        ?  
122  1  1  A  126  GLN  A  126  .  ?        1  
123  1  1  A  127  LEU  A  127  .  ?        ?  
124  1  1  A  128  ARG  A  128  .  ?        ?  
125  1  1  A  129  PRO  A  129  .  ?        ?  
126  1  1  A  130  MET  A  130  .  ?        ?  
127  1  1  A  131  HIS  A  131  .  ?        ?  
128  1  1  A  132  PRO  A  132  .  ?        ?  
129  1  1  A  133  ASN  A  133  .  ?        ?  
130  1  1  A  134  ARG  A  134  .  ?        ?  
131  1  1  A  135  CYS  A  135  .  ?        ?  
132  1  1  A  136  TYR  A  136  .  ?        ?  
133  1  1  A  137  LYS  A  137  .  ?        ?  
134  1  1  A  138  PHE  A  138  .  ?        ?  
135  1  1  A  139  THR  A  139  .  ?        ?  
136  1  1  A  140  MET  A  140  .  ?        ?  
137  1  1  A  141  GLN  A  141  .  ?        ?  
138  1  1  A  142  TYR  A  142  .  ?        ?  
139  1  1  A  143  ALA  A  143  .  ?        ?  
140  1  1  A  144  LEU  A  144  .  ?        ?  
141  1  1  A  145  GLY  A  145  .  ?        ?  
142  1  1  A  146  ALA  A  146  .  ?        ?  
143  1  1  A  147  HIS  A  147  .  ?        ?  
144  1  1  A  148  PRO  A  148  .  ?        ?  
145  1  1  A  149  ASP  A  149  .  ?        ?  
146  1  1  A  150  TYR  A  150  .  ?        ?  
147  1  1  A  151  VAL  A  151  .  ?        ?  
148  1  1  A  152  ALA  A  152  .  ?        ?  
149  1  1  A  153  HIS  A  153  .  ?        ?  
150  1  1  A  154  ASP  A  154  .  ?        ?  
151  1  1  A  155  VAL  A  155  .  ?        ?  
152  1  1  A  156  ILE  A  156  .  ?        ?  
153  1  1  A  157  ARG  A  157  .  ?        ?  
154  1  1  A  158  GLN  A  158  .  ?        ?  
155  1  1  A  159  GLN  A  159  .  ?        ?  
156  1  1  A  160  ASP  A  160  .  ?        ?  
157  1  1  A  161  PRO  A  161  .  ?        ?  
158  1  1  A  162  TYR  A  162  .  ?        ?  
159  1  1  A  163  TYR  A  163  .  ?        ?  
160  1  1  A  164  VAL  A  164  .  ?        ?  
161  1  1  A  165  GLY  A  165  .  ?        ?  
162  1  1  A  166  PRO  A  166  .  ?        ?  
163  1  1  A  167  ASN  A  167  .  ?        ?  
164  1  1  A  168  ASN  A  168  .  ?        ?  
165  1  1  A  169  ILE  A  169  .  ?        1  
166  1  1  A  170  GLU  A  170  .  ?        ?  
167  1  1  A  171  ARG  A  171  .  ?        ?  
168  1  1  A  172  ILE  A  172  .  ?        ?  
169  1  1  A  173  ASN  A  173  .  ?        ?  
170  1  1  A  174  LEU  A  174  .  ?        ?  
171  1  1  A  175  SER  A  175  .  ?        ?  
172  1  1  A  176  LYS  A  176  .  ?        ?  
173  1  1  A  177  LYS  A  177  .  ?        ?  
174  1  1  A  178  GLY  A  178  .  ?        1  
175  1  1  A  179  PHE  A  179  .  ?        ?  
176  1  1  A  180  ALA  A  180  .  ?        ?  
177  1  1  A  181  PHE  A  181  .  ?        ?  
178  1  1  A  182  PRO  A  182  .  ?        ?  
179  1  1  A  183  LEU  A  183  .  ?        ?  
180  1  1  A  184  THR  A  184  .  ?        ?  
181  1  1  A  185  CYS  A  185  A  ?        ?  
182  1  1  A  185  CYS  A  185  B  ?        ?  
183  1  1  A  186  LEU  A  186  .  ?        ?  
184  1  1  A  187  GLN  A  187  .  ?        ?  
185  1  1  A  188  SER  A  188  .  ?        ?  
186  1  1  A  189  VAL  A  189  .  ?        ?  
187  1  1  A  190  TYR  A  190  .  ?        ?  
188  1  1  A  191  ASN  A  191  .  ?        ?  
189  1  1  A  192  ASP  A  192  .  ?        ?  
190  1  1  A  193  ASN  A  193  .  ?        ?  
191  1  1  A  194  PHE  A  194  .  ?        ?  
192  1  1  A  195  GLU  A  195  .  ?        ?  
193  1  1  A  196  ARG  A  196  .  ?        1  
194  1  1  A  197  PHE  A  197  .  ?        ?  
195  1  1  A  198  PHE  A  198  .  ?        ?  
196  1  1  A  199  ASP  A  199  .  ?        ?  
197  1  1  A  200  ASP  A  200  .  ?        1  
198  1  1  A  201  VAL  A  201  .  ?        ?  
199  1  1  A  202  LEU  A  202  .  ?        ?  
200  1  1  A  203  TRP  A  203  .  ?        ?  
201  1  1  A  204  PRO  A  204  .  ?        ?  
202  1  1  A  205  TYR  A  205  .  ?        ?  
203  1  1  A  206  PHE  A  206  .  ?        ?  
204  1  1  A  207  TYR  A  207  .  ?        1  
205  1  1  A  208  ARG  A  208  .  ?        1  
206  1  1  A  209  PRO  A  209  .  ?        ?  
207  1  1  A  210  LEU  A  210  .  ?        ?  
208  1  1  A  211  VAL  A  211  .  ?        ?  
209  1  1  A  212  TYR  A  212  .  ?        ?  
210  1  1  A  213  VAL  A  213  .  ?        ?  
211  1  1  A  214  GLY  A  214  .  ?        ?  
212  1  1  A  215  THR  A  215  .  ?        ?  
213  1  1  A  216  THR  A  216  .  ?        ?  
214  1  1  A  217  SER  A  217  .  ?        ?  
215  1  1  A  218  ALA  A  218  .  ?        ?  
216  1  1  A  219  GLU  A  219  .  ?        ?  
217  1  1  A  220  ILE  A  220  .  ?        1  
218  1  1  A  221  GLU  A  221  .  ?        ?  
219  1  1  A  222  GLU  A  222  .  ?        ?  
220  1  1  A  223  ILE  A  223  .  ?        ?  
221  1  1  A  224  MET  A  224  .  ?        ?  
222  1  1  A  225  ILE  A  225  .  ?        ?  
223  1  1  A  226  GLU  A  226  .  ?        1  
224  1  1  A  227  VAL  A  227  .  ?        ?  
225  1  1  A  228  SER  A  228  .  ?        ?  
226  1  1  A  229  LEU  A  229  .  ?        ?  
227  1  1  A  230  LEU  A  230  .  ?        ?  
228  1  1  A  231  PHE  A  231  .  ?        ?  
229  1  1  A  232  LYS  A  232  .  ?        ?  
230  1  1  A  233  ILE  A  233  .  ?        ?  
231  1  1  A  234  LYS  A  234  .  ?        ?  
232  1  1  A  235  GLU  A  235  .  ?        ?  
233  1  1  A  236  PHE  A  236  .  ?        ?  
234  1  1  A  237  ALA  A  237  .  ?        ?  
235  1  1  A  238  PRO  A  238  .  ?        ?  
236  1  1  A  239  ASP  A  239  .  ?        ?  
237  1  1  A  240  VAL  A  240  .  ?        ?  
238  1  1  A  241  PRO  A  241  .  ?        ?  
239  1  1  A  242  LEU  A  242  .  ?        ?  
240  1  1  A  243  PHE  A  243  .  ?        ?  
241  1  1  A  244  THR  A  244  .  ?        ?  
242  1  1  A  245  GLY  A  245  .  ?        ?  
243  1  1  A  246  PRO  A  246  .  ?        ?  
244  1  1  A  247  ALA  A  247  .  ?        ?  
245  1  1  A  248  TYR  A  248  .  ?        ?  
#
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             ?       ?  ?        ?      4  75.960   6  0.26   8  0.36  molprobity  1.000  
  2    2  mp       -106.9   173.2  Favored  ?     11  74.820   8  0.24  11  0.40  molprobity  1.000  
  3    3  mmt85     -96.6   -54.8  Favored  ?     13  69.660  11  0.23  14  0.49  molprobity  1.000  
  4    4  m-85     -108.7     4.2  Favored  ?      9  65.620  13  0.25  18  0.30  molprobity  1.000  
  5    5  m          65.0  -128.8  Allowed  ?      5  62.980   6  0.39   8  1.41  molprobity  1.000  
  6    6  mtt180   -119.5    35.2  Favored  ?     13  65.980  11  0.31  14  0.91  molprobity  1.000  
  7    7  m80      -118.0    37.6  Favored  ?      7  49.390  11  0.21  15  0.37  molprobity  1.000  
  8    8  m-20      -79.0   152.2  Favored  ?      4  60.190   8  0.24  11  0.58  molprobity  1.000  
  9    9  ?          75.2  -167.3  Favored  ?      3  48.450   4  0.63   5  0.92  molprobity  1.000  
 10   10  t        -168.3  -173.1  Allowed  ?      7  46.150   7  0.31  10  0.53  molprobity  1.000  
 11   11  p        -152.0   161.2  Favored  ?      5  41.290   6  0.30   8  0.53  molprobity  1.000  
 12   12  p        -162.6   162.8  Favored  ?      5  38.580   6  0.37   8  0.57  molprobity  1.000  
 13   13  t        -122.2   126.2  Favored  ?      9  33.770   7  0.21  10  0.40  molprobity  1.000  
 14   14  mt       -129.3   117.4  Favored  ?     11  42.120   8  0.29  11  0.81  molprobity  1.000  
 15   15  m-20       54.4    48.6  Favored  ?      4  43.810   8  0.10  11  0.48  molprobity  1.000  
 16   16  m-20       74.7   -12.6  Allowed  ?      6  44.690   8  0.23  11  0.40  molprobity  1.000  
 17   17  m80       -91.2   139.3  Favored  ?      7  41.240  11  0.18  15  0.26  molprobity  1.000  
 18   18  t-160     -98.8   119.6  Favored  ?      7  43.180  11  0.23  15  0.31  molprobity  1.000  
 19   19  mp       -104.6   142.4  Favored  ?     11  37.950   8  0.25  11  0.56  molprobity  1.000  
 20   20  tttt     -135.5   147.1  Favored  ?     13  38.270   9  0.29  11  0.43  molprobity  1.000  
 21   21  m         -58.3   135.9  Favored  ?      5  36.090   6  0.18   8  0.34  molprobity  1.000  
 22   22  tp        -63.3   -41.2  Favored  ?     11  38.990   8  0.31  11  0.52  molprobity  1.000  
 23   23  ?         -64.5   -41.3  Favored  ?      3  40.510   4  0.15   5  0.28  molprobity  1.000  
 24   24  ?         -57.3   -43.5  Favored  ?      5  42.220   5  0.26   7  0.19  molprobity  1.000  
 25   25  t         -63.9   -45.9  Favored  ?      9  42.730   7  0.20  10  0.43  molprobity  1.000  
 26   26  mt        -61.4   -31.7  Favored  ?     11  50.550   8  0.26  11  0.36  molprobity  1.000  
 27   27  m-20      -68.6   -40.5  Favored  ?      6  45.260   8  0.17  11  0.31  molprobity  1.000  
 28   28  m-20      -57.9   -41.3  Favored  ?      4  51.140   8  0.21  11  0.29  molprobity  1.000  
 29   29  t         -66.1   -47.5  Favored  ?      9  44.110   7  0.40  10  0.43  molprobity  1.000  
 30   30  ttm180    -62.0   -37.3  Favored  ?     13  58.480  11  0.20  14  0.38  molprobity  1.000  
 31   31  mtt85     -69.8   -36.4  Favored  ?     13  47.200  11  0.27  14  0.41  molprobity  1.000  
 32   32  mtt85     -69.8   -36.4  Favored  ?     13  47.200  11  0.27  14  0.41  molprobity  1.000  
 33   33  tptt      -56.7   -46.1  Favored  ?     12  48.670   9  0.21  11  0.21  molprobity  1.000  
 34   34  tttt      -58.9   -46.9  Favored  ?     13  53.520   9  0.21  11  0.50  molprobity  1.000  
 35   35  m-20      -60.9   -39.0  Favored  ?      4  57.570   8  0.21  11  0.31  molprobity  1.000  
 36   36  mmp_?     -64.3   -38.9  Favored  ?     13  59.940  11  0.23  14  0.42  molprobity  1.000  
 37   37  mt        -61.0   -46.5  Favored  ?     11  56.290   8  0.20  11  0.46  molprobity  1.000  
 38   38  ttt85     -57.5   -44.0  Favored  ?     13  75.180  11  0.35  14  0.58  molprobity  1.000  
 39   39  tp10      -58.0   -43.7  Favored  ?      6  65.010   9  0.35  12  0.45  molprobity  1.000  
 40   40  ?         -64.8   -38.8  Favored  ?      5  65.500   5  0.27   7  0.22  molprobity  1.000  
 41   41  tt0       -59.9   -35.4  Favored  ?      6  65.850   9  0.45  12  0.45  molprobity  1.000  
 42   42  m-30     -105.3     3.6  Favored  ?      9  69.180  13  0.38  18  1.10  molprobity  1.000  
 43   43  tt0       -57.6   -38.0  Favored  ?      6  62.580   9  0.33  13  0.71  molprobity  1.000  
 44   44  Cg_endo   -58.7   -28.1  Favored  ?      7  51.820   8  0.30  11  0.38  molprobity  1.000  
 45   45  mt        -75.8   -32.6  Favored  ?     11  50.470   8  0.31  11  0.52  molprobity  1.000  
 46   46  mm        -63.7   -38.3  Favored  ?     11  43.850   8  0.22  11  0.41  molprobity  1.000  
 47   47  t0        -64.3   -33.6  Favored  ?      4  46.050   8  0.18  11  0.51  molprobity  1.000  
 48   48  mm        -66.0   -44.9  Favored  ?     11  42.280   8  0.23  11  0.34  molprobity  1.000  
 49   49  ?         -64.1   -32.1  Favored  ?      5  39.100   5  0.29   7  0.33  molprobity  1.000  
 50   50  m-20      -75.2    -1.5  Favored  ?      4  42.980   8  0.23  11  0.48  molprobity  1.000  
 51   51  tp60      -66.7   -13.1  Favored  ?      8  40.530   9  0.25  12  0.60  molprobity  1.000  
 52   52  m-85     -128.7   164.2  Favored  ?      9  36.620  13  0.23  18  0.53  molprobity  1.000  
 53   53  mtp      -137.4   156.8  Favored  ?      9  37.080   8  0.16  10  0.64  molprobity  1.000  
 54   54  m        -120.0   164.7  Favored  ?      9  32.600   7  0.16  10  0.58  molprobity  1.000  
 55   55  m        -101.9   130.7  Favored  ?      7  37.890   7  0.17  10  0.52  molprobity  1.000  
 56   56  tt0       -66.4   133.3  Favored  ?      6  43.410   9  0.27  12  0.42  molprobity  1.000  
 57   57  t0        -45.3   119.7  Favored  ?      4  43.570   8  0.25  12  0.46  molprobity  1.000  
 58   58  Cg_exo    -64.7   -21.8  Favored  ?      7  38.410   8  0.33  11  0.45  molprobity  1.000  
 59   59  m-85      -97.8   -29.8  Favored  ?      9  46.210  12  0.44  16  0.36  molprobity  1.000  
 60   60  mtp180    -85.7    -9.0  Favored  ?     13  39.460  11  0.23  14  0.62  molprobity  1.000  
 61   61  ?         -92.7  -160.7  Favored  ?      3  37.750   4  0.44   6  0.42  molprobity  1.000  
 62   62  Cg_exo    -60.2   157.3  Favored  ?      7  40.020   8  0.15  11  0.57  molprobity  1.000  
 63   63  ?          84.3   153.1  Favored  ?      3  39.770   4  0.78   5  1.14  molprobity  1.000  
 64   64  pttt      -89.0   159.1  Favored  ?     13  41.820   9  0.22  11  0.53  molprobity  1.000  
 65   65  m-20     -102.9   125.2  Favored  ?      6  35.600   8  0.20  11  0.32  molprobity  1.000  
 66   66  t        -118.8   111.5  Favored  ?      9  33.530   7  0.31  10  0.39  molprobity  1.000  
 67   67  ttt180    -99.9   105.1  Favored  ?     13  36.790  11  0.20  14  0.54  molprobity  1.000  
 68   68  mm        -96.4    91.7  Favored  ?     11  33.460   8  0.29  11  0.60  molprobity  1.000  
 69   69  m         -67.9   138.5  Favored  ?      7  34.590   7  0.15  10  0.57  molprobity  1.000  
 70   70  mt       -105.7   -50.3  Favored  ?     11  35.350   8  0.30  11  0.56  molprobity  1.000  
 71   71  p90      -169.6   168.1  Favored  ?      9  35.490  12  0.36  16  0.49  molprobity  1.000  
 72   72  mtpt     -124.6   155.5  Favored  ?     13  38.910   9  0.46  11  0.71  molprobity  1.000  
 73   73  tt0      -155.5   150.5  Favored  ?      6  35.400   9  0.33  12  1.08  molprobity  1.000  
 74   74  mt       -107.2   129.2  Favored  ?     11  33.580   8  0.18  11  0.26  molprobity  1.000  
 75   75  OUTLIER  -130.8   143.5  Favored  ?     13  33.250  11  0.21  14  0.37  molprobity  1.000  
 76   76  mtt85    -102.3   133.8  Favored  ?     13  38.120  11  0.30  14  0.72  molprobity  1.000  
 77   77  t        -124.6   120.9  Favored  ?      9  36.710   7  0.29  10  0.56  molprobity  1.000  
 78   78  OUTLIER   -66.7   151.5  Favored  ?      7  38.010  11  0.22  16  0.30  molprobity  1.000  
 79   79  Cg_endo   -55.4   142.3  Favored  ?      7  37.630   8  0.23  11  0.79  molprobity  1.000  
 80   80  t70        64.0    17.7  Favored  ?      4  41.600   8  0.35  11  0.54  molprobity  1.000  
 81   81  p        -127.6   167.9  Favored  ?      7  32.790   7  0.23  10  0.63  molprobity  1.000  
 82   82  mtp      -135.7   141.4  Favored  ?      9  32.470   8  0.24  10  0.45  molprobity  1.000  
 83   83  mttt     -106.8   143.5  Favored  ?     13  31.500   9  0.22  11  0.47  molprobity  1.000  
 84   84  tp        -69.2   132.3  Favored  ?     11  27.880   8  0.16  11  0.53  molprobity  1.000  
 85   85  t         -84.8   -41.6  Favored  ?      9  32.180   7  0.22  10  0.34  molprobity  1.000  
 86   86  p        -149.1   145.9  Favored  ?      5  34.850   6  0.35   8  0.43  molprobity  1.000  
 87   87  t-20     -135.8    27.6  Favored  ?      6  42.170   8  0.27  11  0.41  molprobity  1.000  
 88   88  OUTLIER   -58.0   147.8  Favored  ?     10  44.510  16  0.23  23  0.28  molprobity  1.000  
 89   89  p         -66.3   164.8  Favored  ?      5  39.430   6  0.27   8  0.52  molprobity  1.000  
 90   90  ?         -59.0   -38.2  Favored  ?      3  40.830   4  0.16   5  0.26  molprobity  1.000  
 91   91  tttt      -64.1   -44.1  Favored  ?     13  42.980   9  0.28  11  0.30  molprobity  1.000  
 92   92  tp10      -68.4   -38.1  Favored  ?      6  41.500   9  0.26  12  0.41  molprobity  1.000  
 93   93  t80       -60.6   -43.7  Favored  ?      9  37.220  12  0.43  16  0.61  molprobity  1.000  
 94   94  mt        -64.3   -40.6  Favored  ?     11  37.080   8  0.16  11  0.70  molprobity  1.000  
 95   95  ttp85     -59.4   -46.1  Favored  ?     13  43.000  11  0.32  14  0.39  molprobity  1.000  
 96   96  mm-40     -66.5   -42.5  Favored  ?      6  39.670   9  0.38  12  0.35  molprobity  1.000  
 97   97  m         -62.6   -51.0  Favored  ?      7  33.030   7  0.18  10  0.43  molprobity  1.000  
 98   98  t90       -66.2   -51.4  Favored  ?     10  36.180  16  0.28  23  0.16  molprobity  1.000  
 99   99  m         -63.6   -47.1  Favored  ?      7  38.040   7  0.21  10  0.51  molprobity  1.000  
100  100  mmm-85    -68.2   -42.0  Favored  ?     13  42.280  11  0.26  14  0.76  molprobity  1.000  
101  101  t80       -64.9   -48.6  Favored  ?      9  38.910  12  0.31  16  0.35  molprobity  1.000  
102  102  mm        -67.7   -44.1  Favored  ?     11  39.810   8  0.18  11  0.46  molprobity  1.000  
103  103  p         -66.3   -35.4  Favored  ?      5  41.610   6  0.25   8  0.28  molprobity  1.000  
104  104  mm-40     -74.1   -34.1  Favored  ?      6  42.870   9  0.32  12  0.30  molprobity  1.000  
105  105  mm-40     -90.9   -30.8  Favored  ?      6  44.090   9  0.22  12  0.52  molprobity  1.000  
106  106  m-85      -64.2   141.8  Favored  Y      9  45.250  12  0.34  17  0.42  molprobity  1.000  
107  107  Cg_endo   -78.4   132.4  Favored  ?      7  45.560   8  0.17  11  0.33  molprobity  1.000  
108  108  mt        -88.3   108.9  Favored  ?     11  47.840   8  0.26  11  0.80  molprobity  1.000  
109  109  p        -106.1     3.7  Favored  ?      7  47.150   7  0.26  10  0.70  molprobity  1.000  
110  110  p        -133.4   153.7  Favored  ?      7  43.010   7  0.21  10  0.69  molprobity  1.000  
111  111  m-20      -64.1   132.4  Favored  ?      4  41.460   8  0.20  11  0.41  molprobity  1.000  
112  112  pt20     -159.4   163.2  Favored  ?      8  43.560   9  0.21  12  0.63  molprobity  1.000  
113  113  tt0      -132.9   136.4  Favored  ?      6  52.190   9  0.20  12  0.42  molprobity  1.000  
114  114  mt        -78.6   115.4  Favored  ?     11  40.880   8  0.19  11  0.36  molprobity  1.000  
115  115  mtp       -73.2   -43.6  Favored  ?      9  38.370   8  0.21  10  0.59  molprobity  1.000  
116  116  m-20     -156.7   151.6  Favored  ?      4  44.500   8  0.21  11  0.63  molprobity  1.000  
117  117  tp       -120.3   125.7  Favored  ?     11  36.860   8  0.22  11  0.43  molprobity  1.000  
118  118  m95      -120.7   136.5  Favored  ?     10  36.020  16  0.15  23  0.30  molprobity  1.000  
119  119  t80       -89.4   116.9  Favored  ?      9  34.860  12  0.41  16  0.25  molprobity  1.000  
120  120  tt0      -107.8   124.5  Favored  ?      6  42.970   9  0.39  12  0.44  molprobity  1.000  
121  121  tp       -103.2   121.2  Favored  ?     11  42.110   8  0.25  11  0.71  molprobity  1.000  
122  122  tm0?     -108.7   124.9  Favored  ?      8  38.400   9  0.25  12  0.46  molprobity  1.000  
123  123  mt       -121.4   131.3  Favored  ?     11  35.270   8  0.19  11  0.50  molprobity  1.000  
124  124  ptp180   -133.6   137.0  Favored  ?     13  41.330  11  0.47  15  1.54  molprobity  1.000  
125  125  Cg_endo   -67.7   156.1  Favored  ?      7  37.370   8  0.21  11  0.74  molprobity  1.000  
126  126  mmm      -106.1    -5.9  Favored  ?      9  39.270   8  0.29  10  0.52  molprobity  1.000  
127  127  m80      -127.0   145.4  Favored  ?      7  35.750  11  0.23  16  0.33  molprobity  1.000  
128  128  Cg_endo   -82.5   169.9  Favored  ?      7  36.190   8  0.31  11  0.46  molprobity  1.000  
129  129  m120       62.4    31.5  Favored  ?      6  34.460   8  0.23  11  0.35  molprobity  1.000  
130  130  mmt85    -106.9   173.8  Favored  ?     13  37.060  11  0.23  14  0.61  molprobity  1.000  
131  131  OUTLIER  -154.1    96.2  Allowed  ?      5  38.800   6  0.54   8  0.43  molprobity  1.000  
132  132  p90      -159.7   169.1  Favored  ?      9  30.640  13  0.24  18  0.65  molprobity  1.000  
133  133  mmtp     -121.5   164.9  Favored  ?     13  37.400   9  0.46  11  0.92  molprobity  1.000  
134  134  m-85      -98.9   153.4  Favored  ?      9  30.010  12  0.28  16  0.35  molprobity  1.000  
135  135  p        -128.4   161.3  Favored  ?      7  31.850   7  0.23  10  0.63  molprobity  1.000  
136  136  tmm?     -148.0   144.6  Favored  ?      9  32.380   8  0.17  10  0.71  molprobity  1.000  
137  137  tp-100   -141.9   158.8  Favored  ?      8  34.520   9  0.25  12  0.43  molprobity  1.000  
138  138  p90      -155.1   161.8  Favored  ?      9  32.410  13  0.20  18  0.44  molprobity  1.000  
139  139  ?        -134.0   148.9  Favored  ?      5  32.770   5  0.30   7  0.56  molprobity  1.000  
140  140  mt       -103.4     1.2  Favored  ?     11  40.140   8  0.36  11  0.98  molprobity  1.000  
141  141  ?        -171.8   164.0  Favored  ?      3  43.790   4  0.13   5  0.58  molprobity  1.000  
142  142  ?        -169.4   157.8  Favored  ?      5  46.450   5  0.30   7  0.56  molprobity  1.000  
143  143  t-80      -42.5   129.9  Favored  ?      7  50.500  11  0.20  16  0.43  molprobity  1.000  
144  144  Cg_exo    -58.3   -20.1  Favored  ?      7  45.320   8  0.33  11  0.59  molprobity  1.000  
145  145  m-20      -92.1    -1.2  Favored  ?      4  45.510   8  0.29  11  0.33  molprobity  1.000  
146  146  t80       -82.1   122.5  Favored  ?      9  42.110  13  0.32  18  0.48  molprobity  1.000  
147  147  t        -105.2   125.1  Favored  ?      9  38.800   7  0.20  10  0.42  molprobity  1.000  
148  148  ?         -68.4   142.7  Favored  ?      5  34.560   5  0.22   7  0.35  molprobity  1.000  
149  149  m-70      -55.6   138.9  Favored  ?      7  40.170  11  0.15  15  0.33  molprobity  1.000  
150  150  t70       -68.6   -32.3  Favored  ?      4  35.140   8  0.21  11  0.34  molprobity  1.000  
151  151  p        -141.3   138.1  Favored  ?      9  34.040   7  0.17  10  0.34  molprobity  1.000  
152  152  pt       -130.4   164.6  Favored  ?     11  32.400   8  0.17  11  0.45  molprobity  1.000  
153  153  mmt180    -83.1   147.8  Favored  ?     13  39.750  11  0.26  14  0.39  molprobity  1.000  
154  154  mt-30     -77.9   129.9  Favored  ?      8  35.820   9  0.29  12  0.55  molprobity  1.000  
155  155  tm0?     -146.9   106.8  Favored  ?      8  47.190   9  0.29  12  0.53  molprobity  1.000  
156  156  m-20       48.6    57.2  Favored  ?      4  47.630   8  0.35  12  0.36  molprobity  1.000  
157  157  Cg_endo   -78.4   169.8  Favored  ?      7  39.020   8  0.19  11  0.54  molprobity  1.000  
158  158  m-85      -71.6   133.6  Favored  ?      9  37.560  13  0.26  18  0.26  molprobity  1.000  
159  159  m-85      -93.5   121.4  Favored  ?      9  42.530  13  0.28  18  0.46  molprobity  1.000  
160  160  t         -69.2   141.7  Favored  ?      9  37.560   7  0.35  10  0.34  molprobity  1.000  
161  161  ?         -65.8   171.8  Favored  ?      3  43.490   4  0.36   6  0.48  molprobity  1.000  
162  162  Cg_exo    -57.1   -28.5  Favored  ?      7  47.120   8  0.29  11  0.60  molprobity  1.000  
163  163  p-10      -89.3     7.0  Favored  ?      6  38.960   8  0.20  11  0.44  molprobity  1.000  
164  164  m-20       65.1    27.5  Favored  ?      6  32.520   8  0.27  11  0.50  molprobity  1.000  
165  165  mt       -122.2   131.6  Favored  ?     11  38.080   8  0.26  11  0.55  molprobity  1.000  
166  166  tp10     -125.8   135.8  Favored  ?      6  38.630   9  0.24  12  0.55  molprobity  1.000  
167  167  mtt85    -129.2   124.6  Favored  ?     13  42.010  11  0.25  14  0.86  molprobity  1.000  
168  168  mt       -109.0   122.4  Favored  ?     11  32.750   8  0.26  11  0.42  molprobity  1.000  
169  169  t-20      -71.4   129.0  Favored  ?      6  35.490   8  0.27  11  0.52  molprobity  1.000  
170  170  mt       -105.9   108.5  Favored  ?     11  40.370   8  0.33  11  0.65  molprobity  1.000  
171  171  p         -76.1   167.9  Favored  ?      5  57.670   6  0.21   8  0.48  molprobity  1.000  
172  172  tptm      -66.0   -27.7  Favored  ?     13  65.150   9  0.40  11  0.25  molprobity  1.000  
173  173  pttt      -81.0   130.6  Favored  ?     13  71.890   9  0.28  11  0.33  molprobity  1.000  
174  174  ?          89.7   -55.6  Favored  ?      3  53.340   4  0.40   5  0.12  molprobity  1.000  
175  175  m-85      -97.9   120.0  Favored  ?      9  46.530  12  0.38  16  0.40  molprobity  1.000  
176  176  ?         -89.3   146.0  Favored  ?      5  49.280   5  0.26   7  0.45  molprobity  1.000  
177  177  m-30     -106.8   146.1  Favored  ?      9  58.550  12  0.38  17  0.49  molprobity  1.000  
178  178  Cg_exo    -61.9   -33.5  Favored  ?      7  51.730   8  0.25  11  0.33  molprobity  1.000  
179  179  mt       -122.2   113.9  Favored  ?     11  53.440   8  0.22  11  0.50  molprobity  1.000  
180  180  p         -76.3   -56.9  Favored  ?      7  64.750   7  0.24  10  0.54  molprobity  1.000  
181  181  p        -130.2  -167.6  Allowed  ?      5  65.580   6  0.17   8  0.39  molprobity  1.000  
182  182  p        -130.2  -167.6  Allowed  ?      5  65.580   6  0.17   8  0.39  molprobity  1.000  
183  183  tp        -65.8   110.4  Favored  ?     10  47.160   8  0.25  11  0.44  molprobity  1.000  
184  184  pt20     -154.3   165.9  Favored  ?      8  50.860   9  0.28  12  0.49  molprobity  1.000  
185  185  p        -103.2   142.9  Favored  ?      5  43.630   6  0.19   8  0.47  molprobity  1.000  
186  186  m         -65.0   142.9  Favored  ?      9  43.510   7  0.30  10  0.64  molprobity  1.000  
187  187  m-85     -116.3   168.9  Favored  ?      9  41.910  13  0.29  18  0.89  molprobity  1.000  
188  188  m-20      -59.2   129.8  Favored  ?      6  39.890   8  0.22  11  0.46  molprobity  1.000  
189  189  t0       -146.7   151.9  Favored  ?      4  42.910   8  0.17  11  0.46  molprobity  1.000  
190  190  p30      -151.7   165.8  Favored  ?      6  44.900   8  0.34  11  0.60  molprobity  1.000  
191  191  t80       -69.3   -34.4  Favored  ?      9  41.650  12  0.43  16  0.41  molprobity  1.000  
192  192  mp0       -68.4   -41.9  Favored  ?      6  47.240   9  0.44  12  0.34  molprobity  1.000  
193  193  tmm_?     -59.0   -49.8  Favored  ?     13  50.710  11  0.17  14  0.73  molprobity  1.000  
194  194  t80       -57.8   -50.6  Favored  ?      9  40.570  12  0.39  16  0.60  molprobity  1.000  
195  195  t80       -60.6   -41.4  Favored  ?      9  43.590  12  0.42  16  0.78  molprobity  1.000  
196  196  m-20      -64.7   -28.0  Favored  ?      4  48.890   8  0.24  11  0.45  molprobity  1.000  
197  197  m-20      -84.6   -11.6  Favored  ?      4  53.580   8  0.23  11  0.44  molprobity  1.000  
198  198  t         -77.6   133.4  Favored  ?      9  43.390   7  0.20  10  0.38  molprobity  1.000  
199  199  tp        -76.4   -51.2  Favored  ?     11  44.830   8  0.24  11  0.55  molprobity  1.000  
200  200  m95      -117.8    64.5  Favored  ?     10  49.840  16  0.16  24  0.25  molprobity  1.000  
201  201  Cg_endo   -61.1   -32.9  Favored  ?      7  44.340   8  0.23  11  0.39  molprobity  1.000  
202  202  m-85      -87.3    -6.1  Favored  ?      9  48.050  13  0.22  18  0.57  molprobity  1.000  
203  203  t80       -92.8   -44.0  Favored  ?      9  49.820  12  0.51  16  0.70  molprobity  1.000  
204  204  m-85      -90.6   125.0  Favored  ?      9  48.580  13  0.29  18  0.37  molprobity  1.000  
205  205  ptt-85   -162.1   135.3  Favored  ?     13  40.290  11  0.29  15  1.44  molprobity  1.000  
206  206  Cg_exo    -74.2   126.3  Favored  ?      7  37.040   8  0.19  11  0.46  molprobity  1.000  
207  207  mt       -116.4   105.0  Favored  ?     11  39.130   8  0.23  11  0.45  molprobity  1.000  
208  208  t        -119.6   139.3  Favored  ?      9  32.410   7  0.18  10  0.49  molprobity  1.000  
209  209  m-85     -120.0   157.2  Favored  ?      9  31.500  13  0.38  18  0.41  molprobity  1.000  
210  210  p        -143.2   135.8  Favored  ?      9  33.830   7  0.23  10  0.26  molprobity  1.000  
211  211  ?        -141.1  -167.7  Favored  ?      3  32.780   4  0.20   5  0.28  molprobity  1.000  
212  212  p        -137.4   174.3  Favored  ?      7  29.020   7  0.24  10  0.66  molprobity  1.000  
213  213  p         -97.1    15.6  Favored  ?      7  31.960   7  0.20  10  0.60  molprobity  1.000  
214  214  t         -81.8   149.6  Favored  ?      5  31.510   6  0.17   8  0.32  molprobity  1.000  
215  215  ?         -91.5     5.7  Favored  ?      5  35.420   5  0.35   7  0.56  molprobity  1.000  
216  216  pt-20    -130.1   164.9  Favored  ?      6  39.540   9  0.26  12  0.67  molprobity  1.000  
217  217  mt        -58.9   140.0  Favored  ?     11  41.310   8  0.31  11  0.60  molprobity  1.000  
218  218  mm-40    -128.7   152.2  Favored  ?      6  36.410   9  0.49  12  0.48  molprobity  1.000  
219  219  tt0      -108.5   134.0  Favored  ?      6  37.930   9  0.31  12  0.42  molprobity  1.000  
220  220  mt       -129.8   141.4  Favored  ?     11  36.210   8  0.22  11  0.42  molprobity  1.000  
221  221  tpp      -106.8   134.5  Favored  ?      9  42.680   8  0.33  10  0.52  molprobity  1.000  
222  222  mt       -130.8   126.3  Favored  ?     11  33.930   8  0.31  11  0.76  molprobity  1.000  
223  223  mt-10    -118.8   124.9  Favored  ?      6  41.900   9  0.47  12  1.34  molprobity  1.000  
224  224  t        -110.7   131.7  Favored  ?      9  30.820   7  0.22  10  0.50  molprobity  1.000  
225  225  m        -135.7   159.1  Favored  ?      5  33.920   6  0.50   8  0.49  molprobity  1.000  
226  226  mt       -103.2   127.0  Favored  ?     11  33.510   8  0.27  11  0.61  molprobity  1.000  
227  227  tt       -111.1   122.0  Favored  ?     11  39.070   8  0.25  11  0.53  molprobity  1.000  
228  228  m-85     -106.5   126.9  Favored  ?      9  33.550  12  0.29  16  0.30  molprobity  1.000  
229  229  mmmt      -93.9   121.9  Favored  ?     13  34.440   9  0.34  11  0.50  molprobity  1.000  
230  230  mt       -129.8   137.2  Favored  ?     11  35.770   8  0.20  11  0.39  molprobity  1.000  
231  231  pttt     -112.9   125.8  Favored  ?     13  41.600   9  0.33  11  0.62  molprobity  1.000  
232  232  mt-10    -101.2   146.7  Favored  ?      6  43.780   9  0.24  12  0.63  molprobity  1.000  
233  233  m-85     -118.0    72.2  Allowed  ?      9  42.360  12  0.35  16  0.30  molprobity  1.000  
234  234  ?         -85.2   120.3  Favored  ?      5  39.650   5  0.28   8  0.42  molprobity  1.000  
235  235  Cg_endo   -65.2   152.2  Favored  ?      7  41.180   8  0.13  11  0.38  molprobity  1.000  
236  236  t0        -85.8    70.3  Favored  ?      4  47.420   8  0.25  11  0.60  molprobity  1.000  
237  237  m        -139.5   156.6  Favored  ?      9  41.680   7  0.25  11  0.41  molprobity  1.000  
238  238  Cg_endo   -76.1   149.8  Favored  ?      7  41.280   8  0.21  11  0.63  molprobity  1.000  
239  239  tp        -90.0   124.2  Favored  ?     11  46.740   8  0.27  11  0.57  molprobity  1.000  
240  240  m-85     -111.3   152.9  Favored  ?      9  42.250  12  0.37  16  0.75  molprobity  1.000  
241  241  m         -73.3   133.6  Favored  ?      7  45.210   7  0.18  10  0.67  molprobity  1.000  
242  242  ?         -70.6   148.8  Favored  Y      3  39.750   4  0.48   6  0.27  molprobity  1.000  
243  243  Cg_endo   -77.0   148.1  Favored  ?      7  38.160   8  0.25  11  0.24  molprobity  1.000  
244  244  ?         -79.7   129.6  Favored  ?      5  43.540   5  0.24   7  0.30  molprobity  1.000  
245  245  m-85          ?       ?  ?        ?      9  49.630  13  0.30  15  0.38  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   43  N     1  0.46  2.31  
 2   44  HD2   1  0.46  2.31  
 3   72  HG2   2  0.52  1.91  
 4   78  CE1   3  0.49  2.47  
 5   88  O     4  0.43  2.19  
 6  122  HG2   5  0.43  1.99  
 7  165  HG12  5  0.43  1.99  
 8  174  HA2   6  0.40  2.56  
 9  193  NH1   7  0.58  2.36  
10  197  OD2   7  0.58  2.36  
11  204  CE2   6  0.40  2.56  
12  205  HD2   4  0.43  2.19  
13  217  HD11  3  0.49  2.47  
14  223  HG2   2  0.52  1.91  
#
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  0.301  0.627   6.000  
  2    2   8  0.596  0.348   1.613  
  3    3  11  0.772  0.525   3.170  
  4    4  12  0.794  0.483   3.719  
  5    5   6  0.802  0.272   1.260  
  6    6  11  0.764  0.276   0.529  
  7    7  10  0.928  0.160  -0.392  
  8    8   8  0.885  0.251   0.730  
  9    9   4  0.967  0.111  -0.731  
 10   10   7  0.923  0.277   1.269  
 11   11   6  0.938  0.229   0.686  
 12   12   6  0.918  0.179   0.309  
 13   13   7  0.950  0.165  -0.469  
 14   14   8  0.949  0.240   0.343  
 15   15   8  0.894  0.309   1.451  
 16   16   8  0.880  0.259   0.909  
 17   17  10  0.885  0.199   0.117  
 18   18  10  0.865  0.199   0.117  
 19   19   8  0.933  0.186  -0.353  
 20   20   9  0.966  0.126  -1.181  
 21   21   6  0.890  0.201   0.312  
 22   22   8  0.919  0.186  -0.353  
 23   23   4  0.892  0.198   0.288  
 24   24   5  0.938  0.145  -0.479  
 25   25   7  0.909  0.163  -0.493  
 26   26   8  0.869  0.276   0.739  
 27   27   8  0.900  0.256   0.870  
 28   28   8  0.836  0.319   1.575  
 29   29   7  0.891  0.230   0.331  
 30   30  11  0.793  0.433   2.194  
 31   31  22  0.832  0.275   0.519  
 32   32  22  0.832  0.275   0.519  
 33   33   9  0.884  0.314   0.707  
 34   34   9  0.862  0.310   0.667  
 35   35   8  0.876  0.421   2.842  
 36   36  11  0.797  0.396   1.802  
 37   37   8  0.828  0.311   1.213  
 38   38  11  0.668  0.495   2.852  
 39   39   9  0.856  0.337   1.231  
 40   40   5  0.809  0.428   3.024  
 41   41   9  0.745  0.349   1.363  
 42   42  12  0.778  0.348   1.954  
 43   43   9  0.902  0.340   1.264  
 44   44   7  0.936  0.191   0.093  
 45   45   8  0.917  0.211  -0.012  
 46   46   8  0.929  0.125  -1.066  
 47   47   8  0.851  0.206   0.171  
 48   48   8  0.906  0.156  -0.686  
 49   49   5  0.884  0.160  -0.293  
 50   50   8  0.909  0.196   0.047  
 51   51   9  0.867  0.242   0.368  
 52   52  12  0.900  0.196  -0.033  
 53   53   8  0.930  0.199   0.104  
 54   54   7  0.914  0.209   0.073  
 55   55   7  0.906  0.214   0.412  
 56   56   9  0.896  0.214  -0.117  
 57   57   8  0.838  0.225   0.407  
 58   58   7  0.943  0.137  -0.598  
 59   59  11  0.906  0.187  -0.261  
 60   60  11  0.937  0.143  -0.881  
 61   61   4  0.947  0.149  -0.286  
 62   62   7  0.921  0.150  -0.431  
 63   63   4  0.902  0.165  -0.098  
 64   64   9  0.883  0.214  -0.297  
 65   65   8  0.940  0.157  -0.431  
 66   66   7  0.955  0.169  -0.419  
 67   67  11  0.893  0.185  -0.436  
 68   68   8  0.953  0.178  -0.417  
 69   69   7  0.897  0.197   0.181  
 70   70   8  0.926  0.173  -0.511  
 71   71  11  0.937  0.167  -0.501  
 72   72   9  0.916  0.172  -0.719  
 73   73   9  0.927  0.178  -0.512  
 74   74   8  0.942  0.161  -0.625  
 75   75  11  0.926  0.144  -0.871  
 76   76  11  0.849  0.260   0.359  
 77   77   7  0.939  0.157  -0.567  
 78   78  10  0.896  0.181  -0.117  
 79   79   7  0.943  0.131  -0.675  
 80   80   8  0.892  0.347   1.923  
 81   81   7  0.908  0.199   0.208  
 82   82   8  0.939  0.179  -0.149  
 83   83   9  0.924  0.194  -0.498  
 84   84   8  0.948  0.156  -0.717  
 85   85   7  0.950  0.139  -0.788  
 86   86   6  0.919  0.145  -0.227  
 87   87   8  0.883  0.235   0.594  
 88   88  14  0.920  0.154  -0.557  
 89   89   6  0.867  0.304   1.688  
 90   90   4  0.951  0.167  -0.075  
 91   91   9  0.921  0.168  -0.759  
 92   92   9  0.923  0.183  -0.457  
 93   93  11  0.877  0.256   0.565  
 94   94   8  0.926  0.193  -0.268  
 95   95  11  0.878  0.230   0.041  
 96   96   9  0.910  0.176  -0.534  
 97   97   7  0.935  0.156  -0.377  
 98   98  14  0.955  0.139  -0.768  
 99   99   7  0.904  0.193   0.127  
100  100  11  0.913  0.161  -0.690  
101  101  11  0.907  0.187  -0.261  
102  102   8  0.902  0.181  -0.380  
103  103   6  0.897  0.209   0.419  
104  104   9  0.843  0.253   0.310  
105  105   9  0.889  0.236   0.124  
106  106  11  0.914  0.190  -0.225  
107  107   7  0.909  0.178  -0.073  
108  108   8  0.913  0.199  -0.159  
109  109   7  0.906  0.203   0.263  
110  110   7  0.852  0.233   0.671  
111  111   8  0.863  0.237   0.557  
112  112   9  0.915  0.189  -0.263  
113  113   9  0.874  0.243   0.201  
114  114   8  0.878  0.180  -0.392  
115  115   8  0.866  0.182  -0.111  
116  116   8  0.884  0.242   0.619  
117  117   8  0.947  0.183  -0.390  
118  118  14  0.918  0.170  -0.333  
119  119  11  0.909  0.199  -0.117  
120  120   9  0.855  0.284   0.650  
121  121   8  0.880  0.231   0.193  
122  122   9  0.890  0.189  -0.263  
123  123   8  0.931  0.185  -0.365  
124  124  11  0.937  0.149  -0.818  
125  125   7  0.935  0.182  -0.022  
126  126   8  0.888  0.184  -0.086  
127  127  10  0.928  0.163  -0.352  
128  128   7  0.914  0.189   0.068  
129  129   8  0.902  0.203   0.173  
130  130  11  0.897  0.209  -0.181  
131  131   6  0.908  0.217   0.909  
132  132  12  0.934  0.168  -0.399  
133  133   9  0.889  0.214  -0.297  
134  134  11  0.936  0.173  -0.429  
135  135   7  0.901  0.205   0.290  
136  136   8  0.895  0.192   0.015  
137  137   9  0.903  0.185  -0.311  
138  138  12  0.931  0.159  -0.516  
139  139   5  0.893  0.213   0.363  
140  140   8  0.871  0.263   0.581  
141  141   4  0.898  0.161  -0.145  
142  142   5  0.915  0.175  -0.108  
143  143  10  0.929  0.134  -0.731  
144  144   7  0.952  0.142  -0.534  
145  145   8  0.881  0.194   0.022  
146  146  12  0.929  0.148  -0.660  
147  147   7  0.874  0.196  -0.087  
148  148   5  0.814  0.249   0.808  
149  149  10  0.869  0.269   1.031  
150  150   8  0.904  0.223   0.383  
151  151   7  0.923  0.187  -0.198  
152  152   8  0.898  0.205  -0.086  
153  153  11  0.904  0.182  -0.468  
154  154   9  0.903  0.225   0.166  
155  155   9  0.829  0.277   0.785  
156  156   8  0.886  0.244   0.643  
157  157   7  0.910  0.145  -0.496  
158  158  12  0.925  0.199   0.007  
159  159  12  0.930  0.195  -0.046  
160  160   7  0.945  0.134  -0.850  
161  161   4  0.909  0.188   0.171  
162  162   7  0.914  0.213   0.375  
163  163   8  0.824  0.251   0.804  
164  164   8  0.930  0.177  -0.168  
165  165   8  0.934  0.164  -0.588  
166  166   9  0.864  0.240   0.168  
167  167  11  0.906  0.186  -0.425  
168  168   8  0.959  0.151  -0.748  
169  169   8  0.864  0.211   0.279  
170  170   8  0.872  0.156  -0.717  
171  171   6  0.863  0.230   0.700  
172  172   9  0.810  0.368   1.249  
173  173   9  0.821  0.283   0.396  
174  174   4  0.856  0.296   1.436  
175  175  11  0.940  0.187  -0.261  
176  176   5  0.823  0.146  -0.467  
177  177  11  0.882  0.199  -0.117  
178  178   7  0.895  0.141  -0.547  
179  179   8  0.884  0.183  -0.390  
180  180   7  0.842  0.305   1.650  
181  181  12  0.795  0.292   2.091  
182  182  12  0.795  0.292   2.091  
183  183   8  0.861  0.251   0.436  
184  184   9  0.925  0.167  -0.526  
185  185   6  0.917  0.196   0.246  
186  186   7  0.894  0.231   0.343  
187  187  12  0.911  0.160  -0.503  
188  188   8  0.936  0.180  -0.129  
189  189   8  0.904  0.250   0.718  
190  190   8  0.919  0.163  -0.352  
191  191  11  0.933  0.130  -0.944  
192  192   9  0.958  0.200  -0.271  
193  193  11  0.919  0.173  -0.563  
194  194  11  0.937  0.164  -0.537  
195  195  11  0.891  0.160  -0.584  
196  196   8  0.882  0.314   1.513  
197  197   8  0.802  0.445   3.140  
198  198   7  0.937  0.245   0.515  
199  199   8  0.881  0.208  -0.086  
200  200  14  0.926  0.234   0.563  
201  201   7  0.901  0.211   0.350  
202  202  12  0.928  0.154  -0.582  
203  203  11  0.946  0.163  -0.549  
204  204  12  0.906  0.224   0.333  
205  205  11  0.916  0.194  -0.340  
206  206   7  0.928  0.170  -0.175  
207  207   8  0.956  0.116  -1.203  
208  208   7  0.938  0.162  -0.506  
209  209  12  0.923  0.191  -0.098  
210  210   7  0.934  0.166  -0.456  
211  211   4  0.926  0.220   0.546  
212  212   7  0.912  0.187   0.045  
213  213   7  0.917  0.140  -0.595  
214  214   6  0.910  0.218   0.539  
215  215   5  0.911  0.161  -0.281  
216  216   9  0.862  0.322   1.067  
217  217   8  0.879  0.210  -0.025  
218  218   9  0.881  0.221  -0.041  
219  219   9  0.888  0.211  -0.150  
220  220   8  0.941  0.147  -0.797  
221  221   8  0.915  0.160  -0.390  
222  222   8  0.935  0.154  -0.711  
223  223   9  0.867  0.233   0.091  
224  224   7  0.961  0.171  -0.395  
225  225   6  0.916  0.163  -0.195  
226  226   8  0.903  0.191  -0.292  
227  227   8  0.932  0.169  -0.559  
228  228  11  0.919  0.181  -0.333  
229  229   9  0.941  0.148  -0.960  
230  230   8  0.916  0.164  -0.588  
231  231   9  0.906  0.168  -0.759  
232  232   9  0.860  0.216  -0.095  
233  233  11  0.945  0.152  -0.680  
234  234   5  0.918  0.171  -0.157  
235  235   7  0.895  0.231   0.606  
236  236   8  0.777  0.270   0.966  
237  237   7  0.948  0.141  -0.764  
238  238   7  0.960  0.150  -0.431  
239  239   8  0.922  0.163  -0.632  
240  240  11  0.900  0.206  -0.034  
241  241   7  0.917  0.225   0.562  
242  242   4  0.945  0.210   0.429  
243  243   7  0.958  0.159  -0.316  
244  244   5  0.895  0.211   0.338  
245  245  13  0.888  0.238   0.516  
#
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          2.36                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
