data_8ODR

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  8ODR
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    8ODR
_pdbx_vrpt_summary.PDB_deposition_date         2023-03-09
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2023-06-07
_pdbx_vrpt_summary.report_creation_date        2023-05-30:09:06
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "SUMO-conjugating enzyme UBC9"  
2  polymer      "Small ubiquitin-related modifier 1"  
3  non-polymer  "SULFATE ION"  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.85  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   59.86  141614     ?     ?  
 2  2  1   78.04    3438  2.82  2.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3348  2.82  2.90  
 5  1  3   60.43  138945     ?     ?  
 6  2  3   83.44    3351  2.82  2.90  
 7  1  4   83.86  127900     ?     ?  
 8  2  4   83.53    3103  2.82  2.90  
 9  1  5   36.52  130704     ?     ?  
10  2  5   73.62    3168  2.82  2.90  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A   62.50  
 4  6  3  A  1  1  A   84.33  
 5  7  4  A  1  1  A   89.03  
 6  8  4  A  1  1  A   88.69  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B   60.43  
10  6  3  B  1  2  B   83.44  
11  7  4  B  1  2  B   76.80  
12  8  4  B  1  2  B   75.83  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.46  0.25  1244  1700  
2  1  2  B  B  0.45  0.26   586   793  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.66
_pdbx_vrpt_summary_geometry.clashscore                     4.64
_pdbx_vrpt_summary_geometry.num_H_reduce                   1657
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1830
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.25
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2493
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.46
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            48.815
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         55.910
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.09(2.86A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6722
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.356
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.489
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.321
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.926
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.85
_pdbx_vrpt_summary_diffraction.EDS_res_low               47.25
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[60.791,74.970,38.684,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.624
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.18% 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         91.64
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      702
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.44
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.86
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.85
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        47.25
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   10  GLY  A    3  .  ?        ?  
  2  1  1  A   11  ILE  A    4  .  ?        ?  
  3  1  1  A   12  ALA  A    5  .  ?        ?  
  4  1  1  A   13  LEU  A    6  .  ?        ?  
  5  1  1  A   14  SER  A    7  .  ?        ?  
  6  1  1  A   15  ARG  A    8  .  ?        ?  
  7  1  1  A   16  LEU  A    9  .  ?        ?  
  8  1  1  A   17  ALA  A   10  .  ?        ?  
  9  1  1  A   18  GLN  A   11  .  ?        ?  
 10  1  1  A   19  GLU  A   12  .  ?        ?  
 11  1  1  A   20  ARG  A   13  .  ?        ?  
 12  1  1  A   21  ARG  A   14  .  ?        ?  
 13  1  1  A   22  ALA  A   15  .  ?        ?  
 14  1  1  A   23  TRP  A   16  .  ?        ?  
 15  1  1  A   24  ARG  A   17  .  ?        ?  
 16  1  1  A   25  LYS  A   18  .  ?        ?  
 17  1  1  A   26  ASP  A   19  .  ?        ?  
 18  1  1  A   27  HIS  A   20  .  ?        ?  
 19  1  1  A   28  PRO  A   21  .  ?        1  
 20  1  1  A   29  PHE  A   22  .  ?        ?  
 21  1  1  A   30  GLY  A   23  .  ?        ?  
 22  1  1  A   31  PHE  A   24  .  ?        ?  
 23  1  1  A   32  VAL  A   25  .  ?        ?  
 24  1  1  A   33  ALA  A   26  .  ?        ?  
 25  1  1  A   34  VAL  A   27  .  ?        ?  
 26  1  1  A   35  PRO  A   28  .  ?        ?  
 27  1  1  A   36  THR  A   29  .  ?        ?  
 28  1  1  A   37  LYS  A   30  .  ?        ?  
 29  1  1  A   38  ASN  A   31  .  ?        ?  
 30  1  1  A   39  PRO  A   32  .  ?        ?  
 31  1  1  A   40  ASP  A   33  .  ?        ?  
 32  1  1  A   41  GLY  A   34  .  ?        ?  
 33  1  1  A   42  THR  A   35  .  ?        ?  
 34  1  1  A   43  MET  A   36  .  ?        ?  
 35  1  1  A   44  ASN  A   37  .  ?        ?  
 36  1  1  A   45  LEU  A   38  .  ?        ?  
 37  1  1  A   46  MET  A   39  .  ?        ?  
 38  1  1  A   47  ASN  A   40  .  ?        1  
 39  1  1  A   48  TRP  A   41  .  ?        ?  
 40  1  1  A   49  GLU  A   42  .  ?        ?  
 41  1  1  A   50  CYS  A   43  .  ?        ?  
 42  1  1  A   51  ALA  A   44  .  ?        ?  
 43  1  1  A   52  ILE  A   45  .  ?        ?  
 44  1  1  A   53  PRO  A   46  .  ?        ?  
 45  1  1  A   54  GLY  A   47  .  ?        ?  
 46  1  1  A   55  LYS  A   48  .  ?        ?  
 47  1  1  A   56  LYS  A   49  .  ?        ?  
 48  1  1  A   57  GLY  A   50  .  ?        ?  
 49  1  1  A   58  THR  A   51  .  ?        ?  
 50  1  1  A   59  PRO  A   52  .  ?        ?  
 51  1  1  A   60  TRP  A   53  .  ?        ?  
 52  1  1  A   61  GLU  A   54  .  ?        ?  
 53  1  1  A   62  GLY  A   55  .  ?        ?  
 54  1  1  A   63  GLY  A   56  .  ?        ?  
 55  1  1  A   64  LEU  A   57  .  ?        ?  
 56  1  1  A   65  PHE  A   58  .  ?        ?  
 57  1  1  A   66  LYS  A   59  .  ?        ?  
 58  1  1  A   67  LEU  A   60  .  ?        1  
 59  1  1  A   68  ARG  A   61  .  ?        3  
 60  1  1  A   69  MET  A   62  .  ?        ?  
 61  1  1  A   70  LEU  A   63  .  ?        1  
 62  1  1  A   71  PHE  A   64  .  ?        ?  
 63  1  1  A   72  LYS  A   65  .  ?        ?  
 64  1  1  A   73  ASP  A   66  .  ?        2  
 65  1  1  A   74  ASP  A   67  .  ?        2  
 66  1  1  A   75  TYR  A   68  .  ?        ?  
 67  1  1  A   76  PRO  A   69  .  ?        ?  
 68  1  1  A   77  SER  A   70  .  ?        ?  
 69  1  1  A   78  SER  A   71  .  ?        ?  
 70  1  1  A   79  PRO  A   72  .  ?        ?  
 71  1  1  A   80  PRO  A   73  .  ?        ?  
 72  1  1  A   81  LYS  A   74  .  ?        ?  
 73  1  1  A   82  CYS  A   75  .  ?        ?  
 74  1  1  A   83  LYS  A   76  .  ?        ?  
 75  1  1  A   84  PHE  A   77  .  ?        1  
 76  1  1  A   85  GLU  A   78  .  ?        1  
 77  1  1  A   86  PRO  A   79  .  ?        ?  
 78  1  1  A   87  PRO  A   80  .  ?        ?  
 79  1  1  A   88  LEU  A   81  .  ?        ?  
 80  1  1  A   89  PHE  A   82  .  ?        ?  
 81  1  1  A   90  HIS  A   83  .  ?        ?  
 82  1  1  A   91  PRO  A   84  .  ?        1  
 83  1  1  A   92  ASN  A   85  .  ?        ?  
 84  1  1  A   93  VAL  A   86  .  ?        1  
 85  1  1  A   94  TYR  A   87  .  ?        ?  
 86  1  1  A   95  PRO  A   88  .  ?        ?  
 87  1  1  A   96  SER  A   89  .  ?        ?  
 88  1  1  A   97  GLY  A   90  .  ?        ?  
 89  1  1  A   98  THR  A   91  .  ?        ?  
 90  1  1  A   99  VAL  A   92  .  ?        ?  
 91  1  1  A  100  CYS  A   93  .  ?        ?  
 92  1  1  A  101  LEU  A   94  .  ?        ?  
 93  1  1  A  102  SER  A   95  .  ?        ?  
 94  1  1  A  103  ILE  A   96  .  ?        ?  
 95  1  1  A  104  LEU  A   97  .  ?        ?  
 96  1  1  A  105  GLU  A   98  .  ?        ?  
 97  1  1  A  106  GLU  A   99  .  ?        1  
 98  1  1  A  107  ASP  A  100  .  ?        ?  
 99  1  1  A  108  LYS  A  101  .  ?        ?  
100  1  1  A  109  ASP  A  102  .  ?        ?  
101  1  1  A  110  TRP  A  103  .  ?        1  
102  1  1  A  111  ARG  A  104  .  ?        ?  
103  1  1  A  112  PRO  A  105  .  ?        ?  
104  1  1  A  113  ALA  A  106  .  ?        ?  
105  1  1  A  114  ILE  A  107  .  ?        ?  
106  1  1  A  115  THR  A  108  .  ?        ?  
107  1  1  A  116  ILE  A  109  .  ?        ?  
108  1  1  A  117  LYS  A  110  .  ?        1  
109  1  1  A  118  GLN  A  111  .  ?        ?  
110  1  1  A  119  ILE  A  112  .  ?        ?  
111  1  1  A  120  LEU  A  113  .  ?        ?  
112  1  1  A  121  LEU  A  114  .  ?        ?  
113  1  1  A  122  GLY  A  115  .  ?        ?  
114  1  1  A  123  ILE  A  116  .  ?        ?  
115  1  1  A  124  GLN  A  117  .  ?        ?  
116  1  1  A  125  GLU  A  118  .  ?        ?  
117  1  1  A  126  LEU  A  119  .  ?        ?  
118  1  1  A  127  LEU  A  120  .  ?        ?  
119  1  1  A  128  ASN  A  121  .  ?        ?  
120  1  1  A  129  GLU  A  122  .  ?        ?  
121  1  1  A  130  PRO  A  123  .  ?        1  
122  1  1  A  131  ASN  A  124  .  ?        ?  
123  1  1  A  132  ILE  A  125  .  ?        ?  
124  1  1  A  133  GLN  A  126  .  ?        ?  
125  1  1  A  134  ASP  A  127  .  ?        ?  
126  1  1  A  135  PRO  A  128  .  ?        ?  
127  1  1  A  136  LYS  A  129  .  ?        ?  
128  1  1  A  137  GLN  A  130  .  ?        1  
129  1  1  A  138  ALA  A  131  .  ?        ?  
130  1  1  A  139  GLU  A  132  .  ?        1  
131  1  1  A  140  ALA  A  133  .  ?        ?  
132  1  1  A  141  TYR  A  134  .  ?        ?  
133  1  1  A  142  THR  A  135  .  ?        ?  
134  1  1  A  143  ILE  A  136  .  ?        ?  
135  1  1  A  144  TYR  A  137  .  ?        ?  
136  1  1  A  145  CYS  A  138  .  ?        ?  
137  1  1  A  146  GLN  A  139  .  ?        ?  
138  1  1  A  147  ASN  A  140  .  ?        ?  
139  1  1  A  148  ARG  A  141  .  ?        ?  
140  1  1  A  149  VAL  A  142  .  ?        ?  
141  1  1  A  150  GLU  A  143  .  ?        1  
142  1  1  A  151  TYR  A  144  .  ?        ?  
143  1  1  A  152  GLU  A  145  .  ?        ?  
144  1  1  A  153  LYS  A  146  .  ?        ?  
145  1  1  A  154  ARG  A  147  .  ?        2  
146  1  1  A  155  VAL  A  148  .  ?        ?  
147  1  1  A  156  ARG  A  149  .  ?        ?  
148  1  1  A  157  ALA  A  150  .  ?        ?  
149  1  1  A  158  GLN  A  151  .  ?        ?  
150  1  1  A  159  ALA  A  152  .  ?        ?  
151  1  1  A  160  LYS  A  153  .  ?        ?  
152  1  1  A  161  LYS  A  154  .  ?        ?  
153  1  1  A  162  PHE  A  155  .  ?        ?  
154  1  1  A  163  ALA  A  156  .  ?        ?  
155  1  1  A  164  PRO  A  157  .  ?        ?  
156  1  1  A  165  SER  A  158  .  ?        ?  
157  1  2  B   14  TYR  B   21  .  ?        ?  
158  1  2  B   15  ILE  B   22  .  ?        ?  
159  1  2  B   16  LYS  B   23  .  ?        ?  
160  1  2  B   17  LEU  B   24  .  ?        ?  
161  1  2  B   18  LYS  B   25  .  ?        1  
162  1  2  B   19  VAL  B   26  .  ?        1  
163  1  2  B   20  ILE  B   27  .  ?        ?  
164  1  2  B   21  GLY  B   28  .  ?        ?  
165  1  2  B   22  GLN  B   29  .  ?        ?  
166  1  2  B   23  ASP  B   30  .  ?        ?  
167  1  2  B   24  SER  B   31  .  ?        ?  
168  1  2  B   25  SER  B   32  .  ?        ?  
169  1  2  B   26  GLU  B   33  .  ?        ?  
170  1  2  B   27  ILE  B   34  .  ?        ?  
171  1  2  B   28  HIS  B   35  .  ?        ?  
172  1  2  B   29  PHE  B   36  .  ?        ?  
173  1  2  B   30  LYS  B   37  .  ?        ?  
174  1  2  B   31  VAL  B   38  .  ?        ?  
175  1  2  B   32  LYS  B   39  .  ?        ?  
176  1  2  B   33  MET  B   40  .  ?        ?  
177  1  2  B   34  THR  B   41  .  ?        ?  
178  1  2  B   35  THR  B   42  .  ?        ?  
179  1  2  B   36  HIS  B   43  .  ?        ?  
180  1  2  B   37  LEU  B   44  .  ?        ?  
181  1  2  B   38  LYS  B   45  .  ?        ?  
182  1  2  B   39  LYS  B   46  .  ?        ?  
183  1  2  B   40  LEU  B   47  .  ?        1  
184  1  2  B   41  LYS  B   48  .  ?        ?  
185  1  2  B   42  GLU  B   49  .  ?        ?  
186  1  2  B   43  SER  B   50  .  ?        ?  
187  1  2  B   44  TYR  B   51  .  ?        ?  
188  1  2  B   45  CYS  B   52  .  ?        ?  
189  1  2  B   46  GLN  B   53  .  ?        ?  
190  1  2  B   47  ARG  B   54  .  ?        ?  
191  1  2  B   48  GLN  B   55  .  ?        ?  
192  1  2  B   49  GLY  B   56  .  ?        ?  
193  1  2  B   50  VAL  B   57  .  ?        ?  
194  1  2  B   51  PRO  B   58  .  ?        ?  
195  1  2  B   52  MET  B   59  .  ?        ?  
196  1  2  B   53  ASN  B   60  .  ?        ?  
197  1  2  B   54  SER  B   61  .  ?        ?  
198  1  2  B   55  LEU  B   62  .  ?        ?  
199  1  2  B   56  ARG  B   63  .  ?        ?  
200  1  2  B   57  PHE  B   64  .  ?        ?  
201  1  2  B   58  LEU  B   65  .  ?        ?  
202  1  2  B   59  PHE  B   66  .  ?        1  
203  1  2  B   60  GLU  B   67  .  ?        ?  
204  1  2  B   61  GLY  B   68  .  ?        ?  
205  1  2  B   62  GLN  B   69  .  ?        ?  
206  1  2  B   63  ARG  B   70  .  ?        ?  
207  1  2  B   64  ILE  B   71  .  ?        1  
208  1  2  B   65  ALA  B   72  .  ?        ?  
209  1  2  B   66  ASP  B   73  .  ?        ?  
210  1  2  B   67  ASN  B   74  .  ?        ?  
211  1  2  B   68  HIS  B   75  .  ?        ?  
212  1  2  B   69  THR  B   76  .  ?        ?  
213  1  2  B   70  PRO  B   77  .  ?        ?  
214  1  2  B   71  LYS  B   78  .  ?        ?  
215  1  2  B   72  GLU  B   79  .  ?        ?  
216  1  2  B   73  LEU  B   80  .  ?        ?  
217  1  2  B   74  GLY  B   81  .  ?        ?  
218  1  2  B   75  MET  B   82  .  ?        ?  
219  1  2  B   76  GLU  B   83  .  ?        ?  
220  1  2  B   77  GLU  B   84  .  ?        1  
221  1  2  B   78  GLU  B   85  .  ?        1  
222  1  2  B   79  ASP  B   86  .  ?        ?  
223  1  2  B   80  VAL  B   87  .  ?        1  
224  1  2  B   81  ILE  B   88  .  ?        ?  
225  1  2  B   82  GLU  B   89  .  ?        ?  
226  1  2  B   83  VAL  B   90  .  ?        ?  
227  1  2  B   84  TYR  B   91  .  ?        ?  
228  1  2  B   85  GLN  B   92  .  ?        ?  
229  1  2  B   86  GLU  B   93  .  ?        ?  
230  1  2  B   87  GLN  B   94  .  ?        ?  
231  1  2  B   88  THR  B   95  .  ?        ?  
232  1  2  B   89  GLY  B   96  .  ?        ?  
233  1  2  B   90  GLY  B   97  .  ?        ?  
234  1  3  C    .  SO4  B  101  .  ?        ?  
#
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  ?             ?       ?  ?        ?        2   80.310   4  0.16   5  0.36  molprobity  1.000  
  2    2  mt        -77.1   -28.4  Favored  ?       11   76.540   8  0.19  11  0.31  molprobity  1.000  
  3    3  ?         -60.7   -49.9  Favored  ?        5   70.020   5  0.26   7  0.25  molprobity  1.000  
  4    4  mm?       -61.1   -31.2  Favored  ?       11   64.880   8  0.28  11  0.58  molprobity  1.000  
  5    5  m         -74.4   -42.2  Favored  ?        5   67.570   6  0.20   8  0.23  molprobity  1.000  
  6    6  tpt180    -66.1   -40.6  Favored  ?       13   68.300  11  0.18  14  0.93  molprobity  1.000  
  7    7  mt        -68.3   -32.2  Favored  ?       11   57.270   8  0.20  11  0.31  molprobity  1.000  
  8    8  ?         -71.9   -34.9  Favored  ?        5   56.460   5  0.23   7  0.24  molprobity  1.000  
  9    9  tt0       -64.1   -37.4  Favored  ?        8   70.610   9  0.25  12  0.31  molprobity  1.000  
 10   10  mt-10     -69.8   -40.3  Favored  ?        6   62.920   9  0.25  12  0.30  molprobity  1.000  
 11   11  tpt180    -59.7   -42.8  Favored  ?       13   61.240  11  0.20  14  0.92  molprobity  1.000  
 12   12  mtt85     -65.7   -42.6  Favored  ?       13   64.440  11  0.20  14  0.98  molprobity  1.000  
 13   13  ?         -65.9   -37.7  Favored  ?        5   54.560   5  0.26   7  0.26  molprobity  1.000  
 14   14  t-105     -64.0   -43.4  Favored  ?       10   53.060  16  0.14  23  0.19  molprobity  1.000  
 15   15  mtt-85    -55.9   -43.4  Favored  ?       13   61.040  11  0.21  14  0.91  molprobity  1.000  
 16   16  ?         -76.8   -48.1  Favored  ?        2   58.330   5  0.18   7  0.23  molprobity  1.000  
 17   17  t0       -137.9   118.9  Favored  ?        4   70.430   8  0.15  11  0.34  molprobity  1.000  
 18   18  p80      -155.4   151.8  Favored  ?        7   61.620  11  0.17  16  0.38  molprobity  1.000  
 19   19  Cg_endo   -61.9   150.7  Favored  ?        7   54.760   8  0.16  11  0.38  molprobity  1.000  
 20   20  t80       -66.7   141.1  Favored  ?        9   63.550  12  0.36  16  0.21  molprobity  1.000  
 21   21  ?          85.0   -16.1  Favored  ?        3   56.680   4  0.37   5  0.65  molprobity  1.000  
 22   22  m-85      -81.3   156.3  Favored  ?        9   55.980  12  0.34  16  0.43  molprobity  1.000  
 23   23  t        -132.4   143.7  Favored  ?        9   47.950   7  0.18  10  0.45  molprobity  1.000  
 24   24  ?        -161.5    99.4  Allowed  ?        5   45.810   5  0.20   7  0.78  molprobity  1.000  
 25   25  m        -131.6   138.2  Favored  ?        9   54.730   7  0.36  11  0.33  molprobity  1.000  
 26   26  Cg_exo    -69.3   142.5  Favored  ?        7   55.130   8  0.21  11  0.33  molprobity  1.000  
 27   27  p         -75.2  -174.5  Favored  ?        7   55.360   7  0.19  10  0.63  molprobity  1.000  
 28   28  mtmm     -122.2   156.0  Favored  ?       13   62.680   9  0.28  11  0.48  molprobity  1.000  
 29   29  m-80      -86.1   162.9  Favored  ?        6   57.410   8  0.27  12  0.34  molprobity  1.000  
 30   30  Cg_exo    -55.0   -18.6  Favored  ?        7   61.410   8  0.21  11  0.34  molprobity  1.000  
 31   31  p-10      -96.8     0.9  Favored  ?        4   63.190   8  0.22  11  0.54  molprobity  1.000  
 32   32  ?          97.0   -12.2  Favored  ?        3   60.630   4  0.38   5  0.66  molprobity  1.000  
 33   33  p         -70.9   168.7  Favored  ?        7   58.090   7  0.19  10  0.62  molprobity  1.000  
 34   34  ttm       -84.3   136.6  Favored  ?        9   60.640   8  0.26  10  0.39  molprobity  1.000  
 35   35  t30      -115.4    98.1  Favored  ?        6   58.270   8  0.24  11  0.49  molprobity  1.000  
 36   36  mt        -75.7    -3.3  Favored  ?       11   59.350   8  0.19  11  0.50  molprobity  1.000  
 37   37  mmm       -92.2    -4.3  Favored  ?        9   64.880   8  0.25  10  0.42  molprobity  1.000  
 38   38  t-20     -139.3   111.7  Favored  ?        6   57.320   8  0.33  11  0.48  molprobity  1.000  
 39   39  m0       -112.0   140.0  Favored  ?       10   55.730  16  0.18  23  0.31  molprobity  1.000  
 40   40  mt-10    -100.7   115.8  Favored  ?        6   57.240   9  0.27  12  0.45  molprobity  1.000  
 41   41  m        -116.2   171.8  Favored  ?        5   50.200   6  0.20   8  0.50  molprobity  1.000  
 42   42  ?        -154.1   135.7  Favored  ?        5   49.290   5  0.35   7  0.66  molprobity  1.000  
 43   43  mt       -117.3   121.6  Favored  ?       11   53.090   8  0.24  12  0.47  molprobity  1.000  
 44   44  Cg_endo   -87.4   146.8  Favored  ?        7   52.380   8  0.20  11  0.50  molprobity  1.000  
 45   45  ?         -72.4   144.5  Favored  ?        3   53.490   4  0.24   5  0.48  molprobity  1.000  
 46   46  mmtt      -75.9   140.8  Favored  ?       13   61.880   9  0.22  11  0.31  molprobity  1.000  
 47   47  ?         -67.0   139.6  Favored  ?        2   62.120   5  0.21   7  0.25  molprobity  1.000  
 48   48  ?          89.2    -2.9  Favored  ?        3   64.190   4  0.43   5  0.69  molprobity  1.000  
 49   49  p        -110.8   160.1  Favored  ?        7   59.680   7  0.24  11  0.54  molprobity  1.000  
 50   50  Cg_endo   -61.0    -4.5  Favored  ?        7   57.210   8  0.25  11  0.33  molprobity  1.000  
 51   51  m95       -92.4   -11.1  Favored  ?       10   57.950  16  0.17  23  0.27  molprobity  1.000  
 52   52  pt-20     -58.2   143.3  Favored  ?        6   67.430   9  0.21  12  0.25  molprobity  1.000  
 53   53  ?          90.6   -18.5  Favored  ?        3   57.110   4  0.50   5  0.75  molprobity  1.000  
 54   54  ?        -102.5   141.8  Favored  ?        3   59.150   4  0.17   5  0.50  molprobity  1.000  
 55   55  tp       -114.4   106.1  Favored  ?       11   51.360   8  0.23  11  0.52  molprobity  1.000  
 56   56  m-85      -95.8   112.6  Favored  ?        9   54.890  12  0.38  16  0.30  molprobity  1.000  
 57   57  ?         -82.9   140.0  Favored  ?        2   50.810   5  0.22   7  0.35  molprobity  1.000  
 58   58  pt?      -139.4   168.2  Favored  ?       11   52.280   8  0.21  11  0.61  molprobity  1.000  
 59   59  ttm105   -119.4   131.8  Favored  ?       13   50.220  11  0.21  14  1.02  molprobity  1.000  
 60   60  mtt      -102.7   123.6  Favored  ?        9   56.560   8  0.27  10  0.49  molprobity  1.000  
 61   61  mt       -114.7   125.6  Favored  ?       11   52.250   8  0.24  11  0.46  molprobity  1.000  
 62   62  m-85     -111.2   134.9  Favored  ?        9   59.530  12  0.40  16  0.26  molprobity  1.000  
 63   63  ?         -92.3   170.7  Favored  ?        2   65.450   5  0.19   7  0.45  molprobity  1.000  
 64   64  OUTLIER   -67.5   -14.2  Favored  ?        4   79.890   8  0.17  11  0.43  molprobity  1.000  
 65   65  OUTLIER   -86.8     2.8  Favored  ?        4   78.160   8  0.21  11  0.42  molprobity  1.000  
 66   66  t80       -64.7   141.3  Favored  Y        9   67.200  13  0.28  19  0.34  molprobity  1.000  
 67   67  Cg_endo   -92.0    10.2  Favored  ?        7   69.120   8  0.15  11  0.50  molprobity  1.000  
 68   68  m         -62.6   -27.6  Favored  ?        5   72.100   6  0.26   8  0.41  molprobity  1.000  
 69   69  p        -113.5   149.1  Favored  ?        5   71.690   6  0.34   9  0.31  molprobity  1.000  
 70   70  Cg_endo   -77.7   160.9  Favored  ?        7   74.290   8  0.31  12  0.32  molprobity  1.000  
 71   71  Cg_endo   -84.1   162.2  Favored  ?        7   60.480   8  0.12  11  0.46  molprobity  1.000  
 72   72  ?         -98.5   122.2  Favored  ?        2   50.500   5  0.22   7  0.40  molprobity  1.000  
 73   73  m        -108.9   116.9  Favored  ?        5   55.850   6  0.27   8  0.37  molprobity  1.000  
 74   74  ?        -124.1   123.3  Favored  ?        2   52.750   5  0.20   7  0.38  molprobity  1.000  
 75   75  m-85      -72.0   132.6  Favored  ?        9   51.670  12  0.33  16  0.23  molprobity  1.000  
 76   76  mt-10    -127.7   109.6  Favored  Y        6   57.950   9  0.42  13  0.38  molprobity  1.000  
 77   77  Cg_endo   -76.0   169.4  Favored  ?        7   57.790   8  0.22  12  0.46  molprobity  1.000  
 78   78  Cg_exo    -56.5   143.4  Favored  ?        7   59.810   8  0.16  11  0.31  molprobity  1.000  
 79   79  mt        -98.8   149.8  Favored  ?       11   55.120   8  0.19  11  0.58  molprobity  1.000  
 80   80  t80       -80.2    91.2  Favored  ?        9   63.750  12  0.31  16  0.48  molprobity  1.000  
 81   81  t-80     -151.5   137.2  Favored  ?        7   57.030  11  0.22  16  0.47  molprobity  1.000  
 82   82  Cg_endo   -59.5   -20.8  Favored  ?        7   61.320   8  0.29  11  0.57  molprobity  1.000  
 83   83  m120     -108.4    19.2  Favored  ?        6   54.780   8  0.21  11  0.36  molprobity  1.000  
 84   84  t        -116.2   123.3  Favored  ?        9   51.410   7  0.25  10  0.45  molprobity  1.000  
 85   85  m-85      -56.7   155.2  Favored  ?        9   56.740  13  0.21  19  0.32  molprobity  1.000  
 86   86  Cg_exo    -59.4   -11.7  Favored  ?        7   55.250   8  0.25  11  0.33  molprobity  1.000  
 87   87  p         -88.3    -6.8  Favored  ?        5   57.310   6  0.34   8  0.53  molprobity  1.000  
 88   88  ?          98.7   -15.0  Favored  ?        3   57.990   4  0.41   5  0.43  molprobity  1.000  
 89   89  m         -64.7   134.1  Favored  ?        7   53.600   7  0.18  10  0.53  molprobity  1.000  
 90   90  t        -102.8   128.1  Favored  ?        9   58.930   7  0.36  10  0.40  molprobity  1.000  
 91   91  m        -105.2   135.5  Favored  ?        5   65.450   6  0.29   8  0.47  molprobity  1.000  
 92   92  tp       -154.2   148.0  Favored  ?       11   69.760   8  0.19  11  0.81  molprobity  1.000  
 93   93  t         -56.5   -32.5  Favored  ?        5   82.940   6  0.17   8  0.25  molprobity  1.000  
 94   94  pt        -75.8    -9.8  Favored  ?       11   74.850   8  0.20  11  0.50  molprobity  1.000  
 95   95  mt       -104.2    15.9  Favored  ?       11   72.760   8  0.21  11  0.34  molprobity  1.000  
 96   96  ?        -119.3   114.9  Favored  ?        2   84.330   5  0.24   7  0.57  molprobity  1.000  
 97   97  ?         -60.2   -32.1  Favored  ?        2   87.000   5  0.23   7  0.18  molprobity  1.000  
 98   98  ?         -84.4    12.0  Favored  ?        2   89.080   5  0.20   7  0.42  molprobity  1.000  
 99   99  ?        -124.1  -103.0  Allowed  ?        2   89.870   5  0.30   7  0.43  molprobity  1.000  
100  100  m-20     -110.6    18.4  Favored  ?        4   84.780   8  0.26  11  0.41  molprobity  1.000  
101  101  t-105     -83.9   131.8  Favored  ?       10   76.530  16  0.29  23  0.35  molprobity  1.000  
102  102  ?        -128.6   145.4  Favored  ?        2   72.040   5  0.21   8  0.38  molprobity  1.000  
103  103  Cg_exo    -60.5   -17.7  Favored  ?        7   71.720   8  0.24  11  0.35  molprobity  1.000  
104  104  ?         -77.1   -13.0  Favored  ?        5   64.880   5  0.27   7  0.42  molprobity  1.000  
105  105  mt        -68.4   117.5  Favored  ?       11   66.050   8  0.29  11  0.34  molprobity  1.000  
106  106  p         -85.6   173.9  Favored  ?        7   65.880   7  0.16  10  0.62  molprobity  1.000  
107  107  mt        -65.1   -37.8  Favored  ?       11   55.400   8  0.21  11  0.26  molprobity  1.000  
108  108  tttt      -59.4   -42.5  Favored  ?       13   61.380   9  0.26  11  0.41  molprobity  1.000  
109  109  mt-30     -69.5   -25.4  Favored  ?        8   63.540   9  0.20  12  0.33  molprobity  1.000  
110  110  mt        -78.8   -44.1  Favored  ?       11   54.330   8  0.20  11  0.35  molprobity  1.000  
111  111  mt        -67.1   -30.6  Favored  ?       11   48.340   8  0.20  11  0.29  molprobity  1.000  
112  112  mt        -74.3   -38.0  Favored  ?       11   48.720   8  0.26  11  0.44  molprobity  1.000  
113  113  ?         -66.5   -33.9  Favored  ?        3   47.440   4  0.16   5  0.28  molprobity  1.000  
114  114  mt        -72.3   -36.4  Favored  ?       11   52.420   8  0.21  11  0.35  molprobity  1.000  
115  115  tt0       -60.3   -46.8  Favored  ?        8   51.630   9  0.24  12  0.25  molprobity  1.000  
116  116  tt0       -61.7   -32.8  Favored  ?        6   56.100   9  0.25  12  0.34  molprobity  1.000  
117  117  tp        -64.1   -25.7  Favored  ?       11   50.470   8  0.20  11  0.68  molprobity  1.000  
118  118  mt        -61.6   -57.7  Favored  ?       11   55.610   8  0.22  11  0.35  molprobity  1.000  
119  119  t30       -82.8   -14.6  Favored  ?        6   59.430   8  0.20  11  0.48  molprobity  1.000  
120  120  mt-10    -126.5    80.5  Favored  ?        6   75.120   9  0.28  13  0.39  molprobity  1.000  
121  121  Cg_exo    -73.4   151.2  Favored  ?        7   66.290   8  0.25  11  0.45  molprobity  1.000  
122  122  t30       -88.7    95.1  Favored  ?        6   72.610   8  0.24  11  0.57  molprobity  1.000  
123  123  mm        -69.7   -12.8  Favored  ?       11   71.420   8  0.22  11  0.60  molprobity  1.000  
124  124  mt-30     -80.6   -23.8  Favored  ?        8   83.730   9  0.25  12  0.43  molprobity  1.000  
125  125  m-20     -128.8    68.8  Favored  ?        4   79.850   8  0.23  12  0.31  molprobity  1.000  
126  126  Cg_endo   -69.6   148.9  Favored  ?        7   63.470   8  0.17  11  0.39  molprobity  1.000  
127  127  mmtt     -120.3    -1.2  Favored  ?       10   57.150   9  0.33  11  0.36  molprobity  1.000  
128  128  tt0      -135.0   131.5  Favored  ?        8   61.790   9  0.21  12  0.42  molprobity  1.000  
129  129  ?         -73.3   -39.8  Favored  ?        5   65.870   5  0.26   7  0.30  molprobity  1.000  
130  130  tt0       -70.3   -46.9  Favored  ?        6   75.520   9  0.27  12  0.29  molprobity  1.000  
131  131  ?         -73.1   -31.0  Favored  ?        5   70.460   5  0.24   7  0.33  molprobity  1.000  
132  132  t80       -71.7   -29.9  Favored  ?        9   74.840  13  0.23  18  0.22  molprobity  1.000  
133  133  m         -69.7   -53.6  Favored  ?        7   73.630   7  0.19  10  0.48  molprobity  1.000  
134  134  mt        -63.1   -36.9  Favored  ?       11   74.180   8  0.30  11  0.37  molprobity  1.000  
135  135  t80       -65.8   -37.9  Favored  ?        9   77.440  13  0.25  18  0.23  molprobity  1.000  
136  136  m         -89.0    -0.7  Favored  ?        5   77.110   6  0.19   8  0.49  molprobity  1.000  
137  137  mt-30    -121.0   -77.2  Allowed  ?        8   82.690   9  0.21  12  0.29  molprobity  1.000  
138  138  t30      -106.8    90.8  Favored  ?        6   78.450   8  0.22  11  0.48  molprobity  1.000  
139  139  tpp85     -62.0   -32.8  Favored  ?       13   77.640  11  0.19  14  0.92  molprobity  1.000  
140  140  t         -62.6   -41.8  Favored  ?        9   72.990   7  0.21  10  0.37  molprobity  1.000  
141  141  tp10      -63.5   -36.5  Favored  ?        6   79.430   9  0.27  12  0.38  molprobity  1.000  
142  142  t80       -61.9   -46.3  Favored  ?        9   72.120  13  0.23  18  0.26  molprobity  1.000  
143  143  mt-10     -63.4   -41.6  Favored  ?        6   79.690   9  0.20  12  0.33  molprobity  1.000  
144  144  ?         -62.0   -38.4  Favored  ?        2   71.810   5  0.24   7  0.28  molprobity  1.000  
145  145  mtp180    -68.7   -41.5  Favored  ?       13   72.880  11  0.21  14  0.89  molprobity  1.000  
146  146  t         -62.5   -47.0  Favored  ?        9   61.870   7  0.23  10  0.38  molprobity  1.000  
147  147  mtm-85    -62.8   -34.1  Favored  ?       13   67.120  11  0.22  14  0.91  molprobity  1.000  
148  148  ?         -67.1   -40.9  Favored  ?        5   59.750   5  0.24   7  0.28  molprobity  1.000  
149  149  pt20      -80.0   -19.9  Favored  ?        8   63.340   9  0.22  12  0.41  molprobity  1.000  
150  150  ?         -69.5   -43.7  Favored  ?        5   62.890   5  0.26   7  0.27  molprobity  1.000  
151  151  ?         -68.1   -25.8  Favored  ?        2   61.220   5  0.21   7  0.19  molprobity  1.000  
152  152  ttmm      -68.1   -35.4  Favored  ?       13   71.160   9  0.25  11  0.35  molprobity  1.000  
153  153  m-85     -109.2    28.1  Favored  ?        9   65.280  12  0.38  16  0.24  molprobity  1.000  
154  154  ?         -76.3   134.9  Favored  ?        5   69.970   5  0.20   8  0.40  molprobity  1.000  
155  155  Cg_exo    -59.5   105.3  Allowed  ?        7   70.930   8  0.20  11  0.16  molprobity  1.000  
156  156  m             ?       ?  ?        ?        5   89.650   6  0.20   5  0.24  molprobity  1.000  
157  157  m-85          ?       ?  ?        ?        8   76.760  13  0.20  18  0.28  molprobity  1.000  
158  158  pt       -134.3   146.7  Favored  ?       11   65.260   8  0.21  11  0.51  molprobity  1.000  
159  159  ttmm      -90.6   137.0  Favored  ?       13   69.480   9  0.21  11  0.30  molprobity  1.000  
160  160  mt       -125.8   126.8  Favored  ?       11   59.860   8  0.17  11  0.50  molprobity  1.000  
161  161  ?         -85.0   121.8  Favored  ?        2   64.200   5  0.29   7  0.40  molprobity  1.000  
162  162  t        -107.0   111.0  Favored  ?        9   58.350   7  0.45  10  0.53  molprobity  1.000  
163  163  mm       -105.2   148.0  Favored  ?       11   67.970   8  0.27  11  0.42  molprobity  1.000  
164  164  ?        -121.6   173.1  Favored  ?        3   75.700   4  0.51   5  0.73  molprobity  1.000  
165  165  mt-30     -66.8   -33.5  Favored  ?        8   78.760   9  0.28  12  0.29  molprobity  1.000  
166  166  p30       -73.3    21.0  Allowed  ?        4   88.340   8  0.31  11  0.57  molprobity  1.000  
167  167  m          65.4    13.5  Favored  ?        5   83.740   6  0.25   8  0.34  molprobity  1.000  
168  168  p         -76.9   128.1  Favored  ?        5   79.170   6  0.22   8  0.27  molprobity  1.000  
169  169  tt0      -124.7   103.4  Favored  ?        6   79.000   9  0.25  12  0.46  molprobity  1.000  
170  170  mt       -116.0   131.6  Favored  ?       11   72.430   8  0.23  11  0.44  molprobity  1.000  
171  171  m170     -100.0   141.3  Favored  ?        7   69.340  11  0.16  15  0.27  molprobity  1.000  
172  172  m-85     -133.1   140.1  Favored  ?        9   72.780  12  0.35  16  0.35  molprobity  1.000  
173  173  ?        -106.0   118.2  Favored  ?        2   75.010   5  0.22   7  0.50  molprobity  1.000  
174  174  m        -130.4   158.4  Favored  ?        9   68.380   7  0.18  10  0.52  molprobity  1.000  
175  175  ?         -77.1   158.9  Favored  ?        2   65.410   5  0.23   7  0.44  molprobity  1.000  
176  176  mmm       -72.6   -14.9  Favored  ?        9   62.970   8  0.21  10  0.48  molprobity  1.000  
177  177  p        -116.0    -7.9  Favored  ?        7   59.990   7  0.25  10  0.75  molprobity  1.000  
178  178  p         -67.2   142.9  Favored  ?        7   65.270   7  0.18  10  0.52  molprobity  1.000  
179  179  m170      -67.6   134.6  Favored  ?        7   60.320  11  0.15  15  0.24  molprobity  1.000  
180  180  mt        -66.7    -7.0  Favored  ?       11   58.270   8  0.20  11  0.47  molprobity  1.000  
181  181  tttt      -61.0   -32.3  Favored  ?       13   66.000   9  0.24  11  0.27  molprobity  1.000  
182  182  ?         -62.7   -36.0  Favored  ?        2   62.700   5  0.22   7  0.30  molprobity  1.000  
183  183  tt        -69.0   -31.7  Favored  ?       11   65.890   8  0.22  11  0.31  molprobity  1.000  
184  184  mttt      -64.4   -38.6  Favored  ?       13   59.920   9  0.22  11  0.28  molprobity  1.000  
185  185  mt-10     -66.4   -40.2  Favored  ?        6   74.450   9  0.22  12  0.28  molprobity  1.000  
186  186  m         -71.5   -26.3  Favored  ?        5   71.840   6  0.21   8  0.36  molprobity  1.000  
187  187  t80       -76.3   -39.2  Favored  ?        9   70.080  13  0.20  18  0.20  molprobity  1.000  
188  188  OUTLIER   -60.6   -42.3  Favored  ?        5   77.550   6  0.20   8  0.46  molprobity  1.000  
189  189  mt-30     -75.5   -45.5  Favored  ?        8   80.570   9  0.20  12  0.28  molprobity  1.000  
190  190  ?         -69.3   -20.9  Favored  ?        2   72.080   5  0.20   7  0.37  molprobity  1.000  
191  191  mm100    -110.1    -8.5  Favored  ?        8   78.220   9  0.24  12  0.60  molprobity  1.000  
192  192  ?          63.5    37.7  Favored  ?        3   68.510   4  0.14   5  0.32  molprobity  1.000  
193  193  t        -118.9   133.2  Favored  ?        9   72.770   7  0.10  11  0.54  molprobity  1.000  
194  194  Cg_endo   -59.1   135.8  Favored  ?        7   75.680   8  0.16  11  0.38  molprobity  1.000  
195  195  ttm       -65.8   -31.1  Favored  ?        9   79.080   8  0.26  10  0.34  molprobity  1.000  
196  196  ?         -77.0    -1.5  Favored  ?        2   71.970   5  0.22   7  0.47  molprobity  1.000  
197  197  p        -107.2    18.4  Favored  ?        5   75.890   6  0.19   8  0.26  molprobity  1.000  
198  198  mt       -131.0   144.6  Favored  ?       11   64.440   8  0.19  11  0.41  molprobity  1.000  
199  199  ?        -119.4   124.7  Favored  ?        2   59.170   5  0.24   7  0.48  molprobity  1.000  
200  200  m-85     -105.6   130.0  Favored  ?        9   57.140  12  0.29  16  0.26  molprobity  1.000  
201  201  mp       -123.9   133.2  Favored  ?       11   55.650   8  0.20  11  0.57  molprobity  1.000  
202  202  t80      -117.4   123.5  Favored  ?        9   54.820  12  0.37  16  0.47  molprobity  1.000  
203  203  mm-40      55.3  -132.5  Allowed  ?        6   55.220   9  0.75  12  1.41  molprobity  1.000  
204  204  ?        -101.6    40.1  Favored  ?        3   58.650   4  0.14   5  0.35  molprobity  1.000  
205  205  tt0      -127.6   128.9  Favored  ?        8   68.530   9  0.25  12  0.32  molprobity  1.000  
206  206  ?         -71.8   122.5  Favored  ?        2   51.750   5  0.27   7  0.34  molprobity  1.000  
207  207  mt        -73.8   119.7  Favored  ?       11   57.440   8  0.25  11  0.29  molprobity  1.000  
208  208  ?         -78.3   165.4  Favored  ?        5   65.260   5  0.26   7  0.53  molprobity  1.000  
209  209  m-20      -73.7   -34.7  Favored  ?        4   66.490   8  0.21  11  0.31  molprobity  1.000  
210  210  p-10      -85.5    -5.6  Favored  ?        6   67.800   8  0.24  11  0.38  molprobity  1.000  
211  211  m170      -62.0   142.0  Favored  ?        7   68.560  11  0.19  15  0.32  molprobity  1.000  
212  212  p        -120.0   155.1  Favored  ?        7   61.470   7  0.28  11  0.58  molprobity  1.000  
213  213  Cg_exo    -52.9   -38.9  Favored  ?        7   59.050   8  0.21  11  0.32  molprobity  1.000  
214  214  ?         -65.3   -37.0  Favored  ?        2   59.990   5  0.21   7  0.29  molprobity  1.000  
215  215  mt-10     -72.6   -40.7  Favored  ?        6   63.390   9  0.24  12  0.22  molprobity  1.000  
216  216  mt        -80.4     0.1  Favored  ?       11   62.930   8  0.21  11  0.55  molprobity  1.000  
217  217  ?          67.4    26.2  Favored  ?        3   69.120   4  0.32   5  0.44  molprobity  1.000  
218  218  mtm       -71.0   153.3  Favored  ?        9   64.500   8  0.25  10  0.45  molprobity  1.000  
219  219  mt-10    -133.7  -177.2  Favored  ?        6   71.100   9  0.20  12  0.42  molprobity  1.000  
220  220  tp10      -62.4   133.4  Favored  ?        6   68.150   9  0.23  12  0.53  molprobity  1.000  
221  221  mt-10      65.1    21.7  Favored  ?        6   66.980   9  0.19  12  0.47  molprobity  1.000  
222  222  m-20      -65.7   162.0  Favored  ?        4   64.270   8  0.19  11  0.38  molprobity  1.000  
223  223  m        -113.1   132.4  Favored  ?        9   62.490   7  0.34  10  0.45  molprobity  1.000  
224  224  mt       -109.4   136.9  Favored  ?       11   56.170   8  0.23  11  0.52  molprobity  1.000  
225  225  mt-10    -103.9   138.6  Favored  ?        6   63.340   9  0.20  12  0.31  molprobity  1.000  
226  226  t        -121.8   131.1  Favored  ?        9   63.950   7  0.36  10  0.48  molprobity  1.000  
227  227  m-85     -120.7   149.2  Favored  ?        9   69.710  13  0.26  18  0.34  molprobity  1.000  
228  228  tt0      -120.7   104.6  Favored  ?        8   80.060   9  0.23  12  0.50  molprobity  1.000  
229  229  ?         -73.2   -22.2  Favored  ?        2   99.320   5  0.22   7  0.35  molprobity  1.000  
230  230  ?         -85.7    90.9  Favored  ?        2   95.470   5  0.24   7  0.59  molprobity  1.000  
231  231  ?         -69.6   -18.2  Favored  ?        2   97.730   5  0.21   7  0.45  molprobity  1.000  
232  232  ?        -160.3   148.6  Favored  ?        3   99.340   4  0.30   5  0.62  molprobity  1.000  
233  233  ?             ?       ?  ?        ?        3   75.350   3  0.16   2  0.43  molprobity  1.000  
234  234  ?             ?       ?  ?        ?        ?  104.690   4  0.14   6  0.05  mogul       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   19  HD3    1  0.59  1.83  
 2   38  HD21   2  0.43  1.65  
 3   58  HB3    3  0.43  2.54  
 4   59  NH1    4  0.58  2.36  
 5   59  HD3    5  0.49  1.95  
 6   59  HE     2  0.43  1.65  
 7   61  HD21   5  0.49  1.95  
 8   64  OD1    6  0.45  2.44  
 9   64  N      6  0.45  2.44  
10   65  N      7  0.61  2.33  
11   65  OD1    7  0.61  2.33  
12   75  CD1    3  0.43  2.54  
13   76  OE1    4  0.58  2.36  
14   82  HG2    8  0.50  1.93  
15   84  O      9  0.43  2.18  
16   97  HA    10  0.42  2.00  
17  101  HB3   10  0.42  2.00  
18  108  HE3    1  0.59  1.83  
19  121  HB3    8  0.50  1.93  
20  128  HB2    9  0.43  2.18  
21  130  OE2   11  0.42  2.39  
22  141  O     12  0.42  2.18  
23  145  NH1   11  0.42  2.39  
24  145  HG3   12  0.42  2.18  
25  161  O     13  0.44  2.17  
26  162  HG21  14  0.42  2.01  
27  183  HD21  14  0.42  2.01  
28  202  HB2   15  0.52  1.92  
29  207  HD11  15  0.52  1.92  
30  220  HG3   16  0.58  1.85  
31  221  HG3   16  0.58  1.85  
32  223  HA    13  0.44  2.17  
#
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   4  0.728  0.209   0.417  
  2    2   8  0.933  0.167  -0.551  
  3    3   5  0.963  0.277   1.155  
  4    4   8  0.949  0.299   1.018  
  5    5   6  0.944  0.192   0.192  
  6    6  11  0.920  0.191  -0.372  
  7    7   8  0.965  0.242   0.326  
  8    8   5  0.971  0.220   0.449  
  9    9   9  0.887  0.198  -0.156  
 10   10   9  0.936  0.220  -0.052  
 11   11  11  0.938  0.257   0.328  
 12   12  11  0.873  0.219  -0.075  
 13   13   5  0.976  0.143  -0.504  
 14   14  14  0.972  0.181  -0.179  
 15   15  11  0.937  0.217  -0.097  
 16   16   5  0.917  0.142  -1.020  
 17   17   8  0.885  0.176  -0.201  
 18   18  10  0.950  0.146  -0.574  
 19   19   7  0.968  0.144  -0.508  
 20   20  11  0.953  0.196  -0.153  
 21   21   4  0.971  0.183   0.112  
 22   22  11  0.942  0.212   0.038  
 23   23   7  0.977  0.229   0.319  
 24   24   5  0.979  0.171  -0.157  
 25   25   7  0.962  0.279   0.934  
 26   26   7  0.980  0.212   0.362  
 27   27   7  0.969  0.176  -0.105  
 28   28   9  0.945  0.187  -0.568  
 29   29   8  0.940  0.129  -0.799  
 30   30   7  0.972  0.156  -0.355  
 31   31   8  0.939  0.237   0.557  
 32   32   4  0.942  0.149  -0.286  
 33   33   7  0.959  0.188   0.059  
 34   34   8  0.917  0.179  -0.149  
 35   35   8  0.978  0.175  -0.194  
 36   36   8  0.969  0.263   0.581  
 37   37   8  0.961  0.199   0.104  
 38   38   8  0.942  0.140  -0.654  
 39   39  14  0.974  0.220   0.367  
 40   40   9  0.942  0.137  -0.962  
 41   41   6  0.953  0.204   0.703  
 42   42   5  0.982  0.180  -0.046  
 43   43   8  0.984  0.237   0.306  
 44   44   7  0.979  0.229   0.580  
 45   45   4  0.964  0.101  -0.848  
 46   46   9  0.953  0.222  -0.217  
 47   47   5  0.950  0.139  -1.050  
 48   48   4  0.964  0.167  -0.075  
 49   49   7  0.964  0.167  -0.227  
 50   50   7  0.965  0.148  -0.457  
 51   51  14  0.948  0.193  -0.011  
 52   52   9  0.861  0.208  -0.183  
 53   53   4  0.949  0.170  -0.040  
 54   54   4  0.958  0.179   0.066  
 55   55   8  0.956  0.215  -0.001  
 56   56  11  0.971  0.194  -0.177  
 57   57   5  0.907  0.196  -0.478  
 58   58   8  0.959  0.229   0.169  
 59   59  11  0.970  0.136  -0.955  
 60   60   8  0.953  0.250   0.749  
 61   61   8  0.964  0.168  -0.572  
 62   62  11  0.957  0.250   0.493  
 63   63   5  0.845  0.218  -0.257  
 64   64   8  0.843  0.182  -0.127  
 65   65   8  0.838  0.208   0.196  
 66   66  12  0.918  0.196  -0.033  
 67   67   7  0.970  0.220   0.465  
 68   68   6  0.818  0.191   0.179  
 69   69   6  0.953  0.145  -0.435  
 70   70   7  0.963  0.184   0.004  
 71   71   7  0.967  0.186   0.029  
 72   72   5  0.960  0.139  -1.050  
 73   73   6  0.965  0.156  -0.054  
 74   74   5  0.925  0.162  -0.819  
 75   75  11  0.928  0.197  -0.141  
 76   76   9  0.942  0.168  -0.622  
 77   77   7  0.966  0.209   0.324  
 78   78   7  0.938  0.207   0.298  
 79   79   8  0.934  0.246   0.375  
 80   80  11  0.950  0.285   0.913  
 81   81  10  0.948  0.213   0.300  
 82   82   7  0.944  0.182  -0.022  
 83   83   8  0.957  0.210   0.265  
 84   84   7  0.960  0.197  -0.075  
 85   85  12  0.960  0.174  -0.320  
 86   86   7  0.970  0.169  -0.188  
 87   87   6  0.951  0.179   0.019  
 88   88   4  0.914  0.190   0.194  
 89   89   7  0.964  0.194   0.140  
 90   90   7  0.961  0.255   0.638  
 91   91   6  0.875  0.191   0.498  
 92   92   8  0.936  0.264   0.593  
 93   93   6  0.936  0.180   0.032  
 94   94   8  0.940  0.377   2.022  
 95   95   8  0.935  0.204  -0.135  
 96   96   5  0.720  0.235   0.113  
 97   97   5  0.902  0.161  -0.698  
 98   98   5  0.807  0.181  -0.139  
 99   99   5  0.807  0.177  -0.669  
100  100   8  0.824  0.194   0.022  
101  101  14  0.916  0.174  -0.277  
102  102   5  0.926  0.113  -1.199  
103  103   7  0.948  0.176  -0.099  
104  104   5  0.956  0.149  -0.429  
105  105   8  0.953  0.140  -0.882  
106  106   7  0.961  0.203   0.263  
107  107   8  0.942  0.258   0.564  
108  108   9  0.951  0.258   0.145  
109  109   9  0.931  0.228   0.201  
110  110   8  0.969  0.234   0.270  
111  111   8  0.961  0.235   0.242  
112  112   8  0.951  0.216   0.011  
113  113   4  0.974  0.187   0.159  
114  114   8  0.977  0.217   0.061  
115  115   9  0.974  0.180  -0.371  
116  116   9  0.923  0.240   0.168  
117  117   8  0.964  0.232   0.205  
118  118   8  0.972  0.173  -0.511  
119  119   8  0.942  0.150  -0.523  
120  120   9  0.909  0.221  -0.041  
121  121   7  0.936  0.196   0.157  
122  122   8  0.802  0.254   0.844  
123  123   8  0.944  0.232   0.245  
124  124   9  0.914  0.196  -0.180  
125  125   8  0.926  0.185  -0.089  
126  126   7  0.944  0.178  -0.073  
127  127   9  0.943  0.164  -0.799  
128  128   9  0.949  0.206  -0.061  
129  129   5  0.931  0.190   0.078  
130  130   9  0.903  0.176  -0.534  
131  131   5  0.975  0.216   0.400  
132  132  12  0.931  0.252   0.699  
133  133   7  0.912  0.215   0.426  
134  134   8  0.950  0.221   0.110  
135  135  12  0.877  0.237   0.503  
136  136   6  0.879  0.145  -0.227  
137  137   9  0.855  0.212   0.011  
138  138   8  0.890  0.174  -0.208  
139  139  11  0.901  0.222  -0.043  
140  140   7  0.909  0.178  -0.309  
141  141   9  0.930  0.126  -1.082  
142  142  12  0.948  0.215   0.216  
143  143   9  0.876  0.202  -0.249  
144  144   5  0.876  0.147  -0.970  
145  145  11  0.887  0.230   0.041  
146  146   7  0.970  0.168  -0.432  
147  147  11  0.911  0.187  -0.415  
148  148   5  0.943  0.134  -0.615  
149  149   9  0.917  0.161  -0.597  
150  150   5  0.958  0.152  -0.392  
151  151   5  0.905  0.143  -1.010  
152  152   9  0.852  0.241  -0.026  
153  153  11  0.956  0.258   0.589  
154  154   5  0.955  0.121  -0.776  
155  155   7  0.905  0.233   0.631  
156  156   7  0.726  0.222   0.593  
157  157  12  0.783  0.263   0.843  
158  158   8  0.962  0.239   0.331  
159  159   9  0.815  0.234  -0.096  
160  160   8  0.899  0.242   0.326  
161  161   5  0.877  0.203  -0.408  
162  162   7  0.970  0.180  -0.284  
163  163   8  0.951  0.233   0.257  
164  164   4  0.961  0.128  -0.532  
165  165   9  0.865  0.242   0.368  
166  166   8  0.877  0.162  -0.375  
167  167   6  0.899  0.167  -0.142  
168  168   6  0.935  0.159  -0.248  
169  169   9  0.925  0.233   0.091  
170  170   8  0.952  0.188  -0.294  
171  171  10  0.949  0.137  -0.692  
172  172  11  0.938  0.299   1.080  
173  173   5  0.894  0.195  -0.488  
174  174   7  0.980  0.219   0.196  
175  175   5  0.935  0.160  -0.839  
176  176   8  0.964  0.175  -0.200  
177  177   7  0.954  0.169  -0.200  
178  178   7  0.940  0.156  -0.377  
179  179  10  0.956  0.156  -0.444  
180  180   8  0.958  0.223   0.096  
181  181   9  0.929  0.179  -0.649  
182  182   5  0.886  0.144  -1.000  
183  183   8  0.957  0.260   0.545  
184  184   9  0.966  0.197  -0.468  
185  185   9  0.921  0.188  -0.402  
186  186   6  0.952  0.147  -0.409  
187  187  12  0.939  0.266   0.882  
188  188   6  0.879  0.139  -0.322  
189  189   9  0.893  0.180  -0.371  
190  190   5  0.908  0.166  -0.637  
191  191   9  0.914  0.289   0.928  
192  192   4  0.975  0.141  -0.379  
193  193   7  0.966  0.215   0.146  
194  194   7  0.956  0.184   0.004  
195  195   8  0.922  0.215   0.306  
196  196   5  0.939  0.132  -0.760  
197  197   6  0.931  0.271   1.247  
198  198   8  0.941  0.299   1.018  
199  199   5  0.911  0.205  -0.224  
200  200  11  0.958  0.261   0.625  
201  201   8  0.965  0.277   0.751  
202  202  11  0.943  0.163  -0.549  
203  203   9  0.886  0.181  -0.479  
204  204   4  0.858  0.210   0.429  
205  205   9  0.924  0.339   1.524  
206  206   5  0.936  0.102  -1.316  
207  207   8  0.957  0.188  -0.294  
208  208   5  0.942  0.253   0.858  
209  209   8  0.926  0.200   0.097  
210  210   8  0.936  0.182  -0.102  
211  211  10  0.956  0.173  -0.222  
212  212   7  0.969  0.180  -0.050  
213  213   7  0.940  0.203   0.247  
214  214   5  0.926  0.150  -0.940  
215  215   9  0.936  0.132  -1.016  
216  216   8  0.963  0.202  -0.159  
217  217   4  0.963  0.184   0.124  
218  218   8  0.971  0.195   0.053  
219  219   9  0.918  0.218  -0.073  
220  220   9  0.903  0.168  -0.622  
221  221   9  0.938  0.234   0.102  
222  222   8  0.913  0.162  -0.375  
223  223   7  0.932  0.173  -0.370  
224  224   8  0.955  0.236   0.294  
225  225   9  0.924  0.197  -0.304  
226  226   7  0.951  0.266   0.774  
227  227  12  0.916  0.309   1.444  
228  228   9  0.914  0.193  -0.216  
229  229   5  0.877  0.264   0.431  
230  230   5  0.935  0.259   0.571  
231  231   5  0.789  0.325   1.922  
232  232   4  0.724  0.382   2.443  
233  233   4  0.876  0.213   0.464  
234  234   5  0.899  0.259       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.33                                                                  Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
