data_4CSK

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   4CSK       
PDBE  EBI-59711  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4CSK
_pdbx_vrpt_summary.PDB_deposition_date         2014-03-08
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-12-20
_pdbx_vrpt_summary.report_creation_date        2023-12-16:20:18
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,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  AQUAPORIN-1  
2  water    water        
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  3.28  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  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  30.50  141614     ?     ?  
2  2  1  63.51    1044  3.26  3.30  
3  1  2   2.42  138981     ?     ?  
4  2  2  16.86    1026  3.26  3.30  
5  1  3   0.56  138945     ?     ?  
6  2  3   2.63    1025  3.26  3.30  
7  1  4   0.19  130704     ?     ?  
8  2  4   0.35    1177  3.24  3.32  
#
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   2.42  
2  4  2  A  1  1  A  16.86  
3  5  3  A  1  1  A   0.56  
4  6  3  A  1  1  A   2.63  
#
_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      0.81
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.50
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1755
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2388
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  4.33
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       23.20
_pdbx_vrpt_summary_geometry.clashscore                     9.15
_pdbx_vrpt_summary_geometry.num_H_reduce                   1776
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1755
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.50
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2388
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.81
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 10.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            176.628
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         124.743
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.90(3.29A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5555
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.188
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.308
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.489
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.323
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.901
_pdbx_vrpt_summary_diffraction.DCC_R                     0.35
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.40
_pdbx_vrpt_summary_diffraction.EDS_R                     0.36
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.28
_pdbx_vrpt_summary_diffraction.EDS_res_low               12.49
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[128.442,128.442,114.680,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.111
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.84% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.18
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      259
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.66
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.28
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        12.49
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.30
#
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   26  SER  A     3  .  ?        ?  
  2  1  1  A   27  GLU  A     4  .  ?        ?  
  3  1  1  A   28  PHE  A     5  .  ?        ?  
  4  1  1  A   29  LYS  A     6  .  ?        ?  
  5  1  1  A   30  LYS  A     7  .  ?        ?  
  6  1  1  A   31  LYS  A     8  .  ?        ?  
  7  1  1  A   32  LEU  A     9  .  ?        ?  
  8  1  1  A   33  PHE  A    10  .  ?        ?  
  9  1  1  A   34  TRP  A    11  .  ?        ?  
 10  1  1  A   35  ARG  A    12  .  ?        ?  
 11  1  1  A   36  ALA  A    13  .  ?        ?  
 12  1  1  A   37  VAL  A    14  .  ?        ?  
 13  1  1  A   38  VAL  A    15  .  ?        ?  
 14  1  1  A   39  ALA  A    16  .  ?        ?  
 15  1  1  A   40  GLU  A    17  .  ?        ?  
 16  1  1  A   41  PHE  A    18  .  ?        ?  
 17  1  1  A   42  LEU  A    19  .  ?        ?  
 18  1  1  A   43  ALA  A    20  .  ?        ?  
 19  1  1  A   44  THR  A    21  .  ?        ?  
 20  1  1  A   45  THR  A    22  .  ?        ?  
 21  1  1  A   46  LEU  A    23  .  ?        ?  
 22  1  1  A   47  PHE  A    24  .  ?        ?  
 23  1  1  A   48  VAL  A    25  .  ?        ?  
 24  1  1  A   49  PHE  A    26  .  ?        ?  
 25  1  1  A   50  ILE  A    27  .  ?        ?  
 26  1  1  A   51  SER  A    28  .  ?        ?  
 27  1  1  A   52  ILE  A    29  .  ?        ?  
 28  1  1  A   53  GLY  A    30  .  ?        ?  
 29  1  1  A   54  SER  A    31  .  ?        ?  
 30  1  1  A   55  ALA  A    32  .  ?        ?  
 31  1  1  A   56  LEU  A    33  .  ?        ?  
 32  1  1  A   57  GLY  A    34  .  ?        ?  
 33  1  1  A   58  PHE  A    35  .  ?        ?  
 34  1  1  A   59  LYS  A    36  .  ?        ?  
 35  1  1  A   60  TYR  A    37  .  ?        ?  
 36  1  1  A   61  PRO  A    38  .  ?        ?  
 37  1  1  A   62  VAL  A    39  .  ?        ?  
 38  1  1  A   63  GLY  A    40  .  ?        ?  
 39  1  1  A   64  ASN  A    41  .  ?        1  
 40  1  1  A   65  ASN  A    42  .  ?        1  
 41  1  1  A   66  GLN  A    43  .  ?        ?  
 42  1  1  A   67  THR  A    44  .  ?        ?  
 43  1  1  A   68  ALA  A    45  .  ?        ?  
 44  1  1  A   69  VAL  A    46  .  ?        ?  
 45  1  1  A   70  GLN  A    47  .  ?        ?  
 46  1  1  A   71  ASP  A    48  .  ?        ?  
 47  1  1  A   72  ASN  A    49  .  ?        ?  
 48  1  1  A   73  VAL  A    50  .  ?        ?  
 49  1  1  A   74  LYS  A    51  .  ?        ?  
 50  1  1  A   75  VAL  A    52  .  ?        ?  
 51  1  1  A   76  SER  A    53  .  ?        1  
 52  1  1  A   77  LEU  A    54  .  ?        ?  
 53  1  1  A   78  ALA  A    55  .  ?        ?  
 54  1  1  A   79  PHE  A    56  .  ?        ?  
 55  1  1  A   80  GLY  A    57  .  ?        ?  
 56  1  1  A   81  LEU  A    58  .  ?        ?  
 57  1  1  A   82  SER  A    59  .  ?        ?  
 58  1  1  A   83  ILE  A    60  .  ?        ?  
 59  1  1  A   84  ALA  A    61  .  ?        1  
 60  1  1  A   85  THR  A    62  .  ?        ?  
 61  1  1  A   86  LEU  A    63  .  ?        ?  
 62  1  1  A   87  ALA  A    64  .  ?        1  
 63  1  1  A   88  GLN  A    65  .  ?        ?  
 64  1  1  A   89  SER  A    66  .  ?        ?  
 65  1  1  A   90  VAL  A    67  .  ?        ?  
 66  1  1  A   91  GLY  A    68  .  ?        ?  
 67  1  1  A   92  HIS  A    69  .  ?        ?  
 68  1  1  A   93  ILE  A    70  .  ?        ?  
 69  1  1  A   94  SER  A    71  .  ?        ?  
 70  1  1  A   95  GLY  A    72  .  ?        ?  
 71  1  1  A   96  ALA  A    73  .  ?        ?  
 72  1  1  A   97  HIS  A    74  .  ?        1  
 73  1  1  A   98  LEU  A    75  .  ?        ?  
 74  1  1  A   99  ASN  A    76  .  ?        1  
 75  1  1  A  100  PRO  A    77  .  ?        2  
 76  1  1  A  101  ALA  A    78  .  ?        ?  
 77  1  1  A  102  VAL  A    79  .  ?        ?  
 78  1  1  A  103  THR  A    80  .  ?        ?  
 79  1  1  A  104  LEU  A    81  .  ?        ?  
 80  1  1  A  105  GLY  A    82  .  ?        ?  
 81  1  1  A  106  LEU  A    83  .  ?        ?  
 82  1  1  A  107  LEU  A    84  .  ?        ?  
 83  1  1  A  108  LEU  A    85  .  ?        ?  
 84  1  1  A  109  SER  A    86  .  ?        ?  
 85  1  1  A  110  CYS  A    87  .  ?        ?  
 86  1  1  A  111  GLN  A    88  .  ?        ?  
 87  1  1  A  112  ILE  A    89  .  ?        ?  
 88  1  1  A  113  SER  A    90  .  ?        ?  
 89  1  1  A  114  ILE  A    91  .  ?        ?  
 90  1  1  A  115  PHE  A    92  .  ?        1  
 91  1  1  A  116  ARG  A    93  .  ?        ?  
 92  1  1  A  117  ALA  A    94  .  ?        ?  
 93  1  1  A  118  LEU  A    95  .  ?        1  
 94  1  1  A  119  MET  A    96  .  ?        ?  
 95  1  1  A  120  TYR  A    97  .  ?        ?  
 96  1  1  A  121  ILE  A    98  .  ?        1  
 97  1  1  A  122  ILE  A    99  .  ?        ?  
 98  1  1  A  123  ALA  A   100  .  ?        ?  
 99  1  1  A  124  GLN  A   101  .  ?        ?  
100  1  1  A  125  CYS  A   102  .  ?        ?  
101  1  1  A  126  VAL  A   103  .  ?        1  
102  1  1  A  127  GLY  A   104  .  ?        ?  
103  1  1  A  128  ALA  A   105  .  ?        ?  
104  1  1  A  129  ILE  A   106  .  ?        1  
105  1  1  A  130  VAL  A   107  .  ?        ?  
106  1  1  A  131  ALA  A   108  .  ?        ?  
107  1  1  A  132  THR  A   109  .  ?        ?  
108  1  1  A  133  ALA  A   110  .  ?        ?  
109  1  1  A  134  ILE  A   111  .  ?        ?  
110  1  1  A  135  LEU  A   112  .  ?        ?  
111  1  1  A  136  SER  A   113  .  ?        ?  
112  1  1  A  137  GLY  A   114  .  ?        ?  
113  1  1  A  138  ILE  A   115  .  ?        ?  
114  1  1  A  139  THR  A   116  .  ?        2  
115  1  1  A  140  SER  A   117  .  ?        1  
116  1  1  A  141  SER  A   118  .  ?        ?  
117  1  1  A  142  LEU  A   119  .  ?        1  
118  1  1  A  143  THR  A   120  .  ?        ?  
119  1  1  A  144  GLY  A   121  .  ?        ?  
120  1  1  A  145  ASN  A   122  .  ?        ?  
121  1  1  A  146  SER  A   123  .  ?        1  
122  1  1  A  147  LEU  A   124  .  ?        1  
123  1  1  A  148  GLY  A   125  .  ?        ?  
124  1  1  A  149  ARG  A   126  .  ?        ?  
125  1  1  A  150  ASN  A   127  .  ?        1  
126  1  1  A  151  ASP  A   128  .  ?        ?  
127  1  1  A  152  LEU  A   129  .  ?        ?  
128  1  1  A  153  ALA  A   130  .  ?        ?  
129  1  1  A  154  ASP  A   131  .  ?        ?  
130  1  1  A  155  GLY  A   132  .  ?        ?  
131  1  1  A  156  VAL  A   133  .  ?        ?  
132  1  1  A  157  ASN  A   134  .  ?        ?  
133  1  1  A  158  SER  A   135  .  ?        ?  
134  1  1  A  159  GLY  A   136  .  ?        ?  
135  1  1  A  160  GLN  A   137  .  ?        ?  
136  1  1  A  161  GLY  A   138  .  ?        ?  
137  1  1  A  162  LEU  A   139  .  ?        1  
138  1  1  A  163  GLY  A   140  .  ?        ?  
139  1  1  A  164  ILE  A   141  .  ?        ?  
140  1  1  A  165  GLU  A   142  .  ?        ?  
141  1  1  A  166  ILE  A   143  .  ?        2  
142  1  1  A  167  ILE  A   144  .  ?        ?  
143  1  1  A  168  GLY  A   145  .  ?        1  
144  1  1  A  169  THR  A   146  .  ?        ?  
145  1  1  A  170  LEU  A   147  .  ?        ?  
146  1  1  A  171  GLN  A   148  .  ?        1  
147  1  1  A  172  LEU  A   149  .  ?        2  
148  1  1  A  173  VAL  A   150  .  ?        1  
149  1  1  A  174  LEU  A   151  .  ?        ?  
150  1  1  A  175  CYS  A   152  .  ?        ?  
151  1  1  A  176  VAL  A   153  .  ?        1  
152  1  1  A  177  LEU  A   154  .  ?        ?  
153  1  1  A  178  ALA  A   155  .  ?        ?  
154  1  1  A  179  THR  A   156  .  ?        ?  
155  1  1  A  180  THR  A   157  .  ?        ?  
156  1  1  A  181  ASP  A   158  .  ?        1  
157  1  1  A  182  ARG  A   159  .  ?        ?  
158  1  1  A  183  ARG  A   160  .  ?        3  
159  1  1  A  184  ARG  A   161  .  ?        ?  
160  1  1  A  185  ARG  A   162  .  ?        ?  
161  1  1  A  186  ASP  A   163  .  ?        ?  
162  1  1  A  187  LEU  A   164  .  ?        2  
163  1  1  A  188  GLY  A   165  .  ?        ?  
164  1  1  A  189  GLY  A   166  .  ?        ?  
165  1  1  A  190  SER  A   167  .  ?        1  
166  1  1  A  191  ALA  A   168  .  ?        1  
167  1  1  A  192  PRO  A   169  .  ?        2  
168  1  1  A  193  LEU  A   170  .  ?        ?  
169  1  1  A  194  ALA  A   171  .  ?        1  
170  1  1  A  195  ILE  A   172  .  ?        ?  
171  1  1  A  196  GLY  A   173  .  ?        1  
172  1  1  A  197  LEU  A   174  .  ?        ?  
173  1  1  A  198  SER  A   175  .  ?        ?  
174  1  1  A  199  VAL  A   176  .  ?        ?  
175  1  1  A  200  ALA  A   177  .  ?        ?  
176  1  1  A  201  LEU  A   178  .  ?        ?  
177  1  1  A  202  GLY  A   179  .  ?        ?  
178  1  1  A  203  HIS  A   180  .  ?        1  
179  1  1  A  204  LEU  A   181  .  ?        ?  
180  1  1  A  205  LEU  A   182  .  ?        ?  
181  1  1  A  206  ALA  A   183  .  ?        1  
182  1  1  A  207  ILE  A   184  .  ?        ?  
183  1  1  A  208  ASP  A   185  .  ?        ?  
184  1  1  A  209  TYR  A   186  .  ?        1  
185  1  1  A  210  THR  A   187  .  ?        ?  
186  1  1  A  211  GLY  A   188  .  ?        ?  
187  1  1  A  212  CYS  A   189  .  ?        ?  
188  1  1  A  213  GLY  A   190  .  ?        ?  
189  1  1  A  214  ILE  A   191  .  ?        ?  
190  1  1  A  215  ASN  A   192  .  ?        ?  
191  1  1  A  216  PRO  A   193  .  ?        1  
192  1  1  A  217  ALA  A   194  .  ?        ?  
193  1  1  A  218  ARG  A   195  .  ?        1  
194  1  1  A  219  SER  A   196  .  ?        ?  
195  1  1  A  220  PHE  A   197  .  ?        1  
196  1  1  A  221  GLY  A   198  .  ?        ?  
197  1  1  A  222  SER  A   199  .  ?        ?  
198  1  1  A  223  ALA  A   200  .  ?        1  
199  1  1  A  224  VAL  A   201  .  ?        1  
200  1  1  A  225  ILE  A   202  .  ?        1  
201  1  1  A  226  THR  A   203  .  ?        1  
202  1  1  A  227  HIS  A   204  .  ?        ?  
203  1  1  A  228  ASN  A   205  .  ?        ?  
204  1  1  A  229  PHE  A   206  .  ?        ?  
205  1  1  A  230  SER  A   207  .  ?        ?  
206  1  1  A  231  ASN  A   208  .  ?        ?  
207  1  1  A  232  HIS  A   209  .  ?        ?  
208  1  1  A  233  TRP  A   210  .  ?        ?  
209  1  1  A  234  ILE  A   211  .  ?        ?  
210  1  1  A  235  PHE  A   212  .  ?        ?  
211  1  1  A  236  TRP  A   213  .  ?        1  
212  1  1  A  237  VAL  A   214  .  ?        ?  
213  1  1  A  238  GLY  A   215  .  ?        1  
214  1  1  A  239  PRO  A   216  .  ?        ?  
215  1  1  A  240  PHE  A   217  .  ?        ?  
216  1  1  A  241  ILE  A   218  .  ?        ?  
217  1  1  A  242  GLY  A   219  .  ?        ?  
218  1  1  A  243  GLY  A   220  .  ?        ?  
219  1  1  A  244  ALA  A   221  .  ?        ?  
220  1  1  A  245  LEU  A   222  .  ?        ?  
221  1  1  A  246  ALA  A   223  .  ?        1  
222  1  1  A  247  VAL  A   224  .  ?        ?  
223  1  1  A  248  LEU  A   225  .  ?        1  
224  1  1  A  249  ILE  A   226  .  ?        3  
225  1  1  A  250  TYR  A   227  .  ?        ?  
226  1  1  A  251  ASP  A   228  .  ?        ?  
227  1  1  A  252  PHE  A   229  .  ?        1  
228  1  1  A  253  ILE  A   230  .  ?        1  
229  1  1  A  254  LEU  A   231  .  ?        1  
230  1  1  A  255  ALA  A   232  .  ?        ?  
231  1  1  A  256  PRO  A   233  .  ?        ?  
232  1  1  A  257  ARG  A   234  .  ?        2  
233  1  1  A  258  SER  A   235  .  ?        ?  
234  1  2  B    .  HOH  A  2001  .  ?        ?  
235  1  2  B    .  HOH  A  2002  .  ?        ?  
236  1  2  B    .  HOH  A  2003  .  ?        ?  
237  1  2  B    .  HOH  A  2004  .  ?        ?  
238  1  2  B    .  HOH  A  2005  .  ?        ?  
239  1  2  B    .  HOH  A  2006  .  ?        ?  
#
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.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
  1    1  t             ?       ?  ?           ?  ?      4   6  0.19   8  0.43  molprobity  
  2    2  mp0      -112.7    37.2  Favored     ?  ?      6   9  0.34  12  0.82  molprobity  
  3    3  t80      -146.0   -50.3  Allowed     ?  ?      9  12  0.61  16  0.64  molprobity  
  4    4  tptt      -60.6   -38.5  Favored     ?  ?     13   9  0.64  11  0.92  molprobity  
  5    5  tttt      -56.5   -36.6  Favored     ?  ?     13   9  0.43  11  0.70  molprobity  
  6    6  mttt      -87.4   -21.8  Favored     ?  ?     13   9  0.23  11  0.23  molprobity  
  7    7  tp        -77.5   -16.9  Favored     ?  ?     11   8  0.28  11  0.52  molprobity  
  8    8  t80       -70.6   -51.2  Favored     ?  ?      9  12  0.42  16  0.42  molprobity  
  9    9  m0        -55.5   -46.2  Favored     ?  ?     10  16  0.58  23  0.40  molprobity  
 10   10  ttm180    -58.4   -27.8  Favored     ?  ?     13  11  0.31  14  0.44  molprobity  
 11   11  ?         -73.8   -49.0  Favored     ?  ?      5   5  0.28   7  0.50  molprobity  
 12   12  t         -60.0   -30.5  Favored     ?  ?      9   7  0.48  10  0.69  molprobity  
 13   13  t         -71.5   -54.0  Favored     ?  ?      9   7  0.59  10  0.76  molprobity  
 14   14  ?         -63.0    -5.1  Favored     ?  ?      5   5  0.35   7  0.29  molprobity  
 15   15  tp10      -96.8   -44.0  Favored     ?  ?      6   9  0.53  12  0.90  molprobity  
 16   16  t80       -65.5   -59.6  Favored     ?  ?      9  12  0.55  16  0.45  molprobity  
 17   17  mt        -54.3   -30.1  Favored     ?  ?     11   8  0.34  11  0.47  molprobity  
 18   18  ?         -77.4   -48.8  Favored     ?  ?      5   5  0.39   7  0.48  molprobity  
 19   19  OUTLIER   -61.2   -35.9  Favored     ?  ?      7   7  0.53  10  0.56  molprobity  
 20   20  t         -64.3   -44.7  Favored     ?  ?      7   7  0.60  10  0.91  molprobity  
 21   21  mt        -64.5   -40.6  Favored     ?  ?     11   8  0.30  11  0.57  molprobity  
 22   22  t80       -60.1   -58.6  Favored     ?  ?      9  12  0.41  16  0.71  molprobity  
 23   23  t         -57.2   -60.1  Favored     ?  ?      9   7  0.36  10  0.80  molprobity  
 24   24  t80       -41.7   -69.2  Allowed     ?  ?      9  12  0.47  16  0.60  molprobity  
 25   25  mt        -57.0   -43.2  Favored     ?  ?     11   8  0.50  11  0.68  molprobity  
 26   26  m         -73.9   -64.2  Allowed     ?  ?      5   6  0.38   8  0.45  molprobity  
 27   27  OUTLIER   -58.1   -33.2  Favored     ?  ?     11   8  0.33  11  0.95  molprobity  
 28   28  ?         -67.7   -42.2  Favored     ?  ?      3   4  0.27   5  0.50  molprobity  
 29   29  p         -72.7   -22.6  Favored     ?  ?      5   6  0.29   8  0.45  molprobity  
 30   30  ?         -62.7   -33.2  Favored     ?  ?      5   5  0.49   7  0.71  molprobity  
 31   31  OUTLIER   -83.7    50.0  Allowed     ?  ?     11   8  0.59  11  0.55  molprobity  
 32   32  ?        -107.7    -9.3  Favored     ?  ?      3   4  0.23   5  0.59  molprobity  
 33   33  p90       -82.2   -51.3  Favored     ?  ?      9  12  0.50  16  0.58  molprobity  
 34   34  mttt      -67.4   -31.7  Favored     ?  ?     13   9  0.42  11  0.60  molprobity  
 35   35  OUTLIER   -88.0   106.6  Favored     ?  ?      9  13  0.43  19  0.57  molprobity  
 36   36  Cg_endo   -84.6  -157.1  OUTLIER     ?  ?      7   8  0.62  11  0.86  molprobity  
 37   37  OUTLIER  -136.0     0.1  Allowed     ?  ?      9   7  1.02  10  0.92  molprobity  
 38   38  ?        -116.6   -66.4  Allowed     ?  ?      3   4  0.47   5  0.62  molprobity  
 39   39  OUTLIER  -143.2  -124.9  Allowed     ?  ?      6   8  0.57  11  0.74  molprobity  
 40   40  t30      -108.0   -27.1  Favored     ?  ?      6   8  0.57  11  0.84  molprobity  
 41   41  mp0       -51.0   104.3  Allowed     ?  ?      8   9  0.38  12  0.86  molprobity  
 42   42  OUTLIER   -51.1   151.6  Favored     ?  ?      7   7  0.64  10  0.79  molprobity  
 43   43  ?        -112.7  -177.7  Favored     ?  ?      5   5  0.50   7  0.56  molprobity  
 44   44  t        -121.0   128.7  Favored     ?  ?      9   7  0.49  10  0.76  molprobity  
 45   45  tt0       -61.0   149.9  Favored     1  ?      8   9  0.34  12  0.77  molprobity  
 46   46  t0       -103.7   119.2  Favored     ?  ?      4   8  0.42  11  0.89  molprobity  
 47   47  m-80      -56.6   -44.3  Favored     ?  ?      6   8  0.43  11  0.91  molprobity  
 48   48  t         -61.7   -48.0  Favored     ?  ?      9   7  0.40  10  1.24  molprobity  
 49   49  tttt      -47.0   -53.9  Favored     ?  ?     13   9  0.32  11  0.68  molprobity  
 50   50  OUTLIER   -80.8   -10.7  Favored     ?  ?      9   7  0.15  10  0.40  molprobity  
 51   51  m         -80.2   -53.1  Favored     ?  ?      5   6  0.40   8  0.73  molprobity  
 52   52  mp        -63.4   -57.6  Favored     ?  ?     11   8  0.38  11  0.61  molprobity  
 53   53  ?         -45.2   -35.3  Favored     ?  ?      5   5  0.33   7  0.57  molprobity  
 54   54  m-85      -86.0   -46.5  Favored     ?  ?      9  12  0.43  16  0.40  molprobity  
 55   55  ?         -59.4   -65.2  Favored     ?  ?      3   4  0.59   5  1.01  molprobity  
 56   56  mt        -53.1   -33.9  Favored     ?  ?     11   8  0.37  11  0.73  molprobity  
 57   57  t         -60.0   -33.9  Favored     ?  ?      5   6  0.44   8  0.51  molprobity  
 58   58  mm        -74.0   -51.2  Favored     ?  ?     11   8  0.53  11  0.71  molprobity  
 59   59  ?         -57.3   -29.8  Favored     ?  ?      5   5  0.63   7  0.39  molprobity  
 60   60  m         -73.1   -51.6  Favored     ?  ?      7   7  0.37  10  0.83  molprobity  
 61   61  OUTLIER   -68.0   -34.3  Favored     ?  ?     11   8  0.54  11  0.80  molprobity  
 62   62  ?         -59.8   -46.0  Favored     ?  ?      5   5  0.51   7  0.42  molprobity  
 63   63  OUTLIER   -69.8   -18.7  Favored     ?  ?      8   9  0.57  12  0.57  molprobity  
 64   64  m         -88.2   -26.1  Favored     ?  ?      5   6  0.23   8  1.09  molprobity  
 65   65  m        -143.5    12.4  Allowed     ?  ?      9   7  0.48  10  0.49  molprobity  
 66   66  ?         -53.5   -61.1  Favored     ?  ?      3   4  0.64   5  1.29  molprobity  
 67   67  p80       -49.7   -16.5  Allowed     1  ?      7  11  0.41  15  0.56  molprobity  
 68   68  mp        -99.5   -51.2  Favored     ?  ?     11   8  0.36  11  1.03  molprobity  
 69   69  p        -106.4   -47.9  Favored     ?  ?      5   6  0.47   8  0.75  molprobity  
 70   70  ?         130.0     6.7  Favored     ?  ?      3   4  0.82   5  1.87  molprobity  
 71   71  ?          38.4    68.5  Allowed     ?  ?      5   5  0.68   7  0.96  molprobity  
 72   72  m170      -77.5   -60.0  Favored     ?  ?      7  11  0.42  15  0.75  molprobity  
 73   73  mp         58.5   -11.2  OUTLIER     ?  ?     11   8  0.47  11  0.73  molprobity  
 74   74  t30      -128.8   126.3  Favored     ?  ?      6   8  0.54  12  0.68  molprobity  
 75   75  Cg_exo    -66.8   -19.8  Favored     ?  ?      7   8  0.43  11  0.52  molprobity  
 76   76  ?         -69.2   -43.9  Favored     ?  ?      5   5  0.62   7  0.96  molprobity  
 77   77  t         -62.7   -52.1  Favored     ?  ?      9   7  0.47  10  0.84  molprobity  
 78   78  m         -50.5   -42.8  Favored     ?  ?      7   7  0.55  10  0.55  molprobity  
 79   79  OUTLIER   -70.1   -31.0  Favored     ?  ?     11   8  0.60  11  0.89  molprobity  
 80   80  ?         -61.8   -55.4  Favored     ?  ?      3   4  0.26   5  0.49  molprobity  
 81   81  OUTLIER   -66.0   -37.9  Favored     ?  ?     11   8  0.65  11  0.86  molprobity  
 82   82  tm?       -59.1   -44.4  Favored     ?  ?     11   8  0.55  11  0.76  molprobity  
 83   83  OUTLIER   -72.9   -24.8  Favored     ?  ?     11   8  0.23  11  0.53  molprobity  
 84   84  OUTLIER   -82.9    -0.6  Favored     ?  ?      5   6  0.47   8  0.89  molprobity  
 85   85  m          63.2    22.2  Favored     ?  ?      5   6  0.32   8  0.91  molprobity  
 86   86  mt-30     -69.2   -72.6  Allowed     ?  ?      8   9  0.51  12  0.74  molprobity  
 87   87  pt        -71.9   171.9  Allowed     ?  ?     11   8  0.52  11  0.76  molprobity  
 88   88  t         -84.0   143.8  Favored     ?  ?      5   6  0.20   8  0.97  molprobity  
 89   89  OUTLIER   -46.0   -39.8  Favored     ?  ?     11   8  0.61  11  0.82  molprobity  
 90   90  OUTLIER   -91.3   -27.8  Favored     ?  ?      9  12  0.47  16  0.72  molprobity  
 91   91  ttm-85    -61.9   -36.0  Favored     ?  ?     13  11  0.51  14  0.64  molprobity  
 92   92  ?         -60.7   -45.2  Favored     ?  ?      5   5  0.18   7  0.42  molprobity  
 93   93  mt        -67.4   -41.9  Favored     ?  ?     11   8  0.30  11  0.46  molprobity  
 94   94  mmm       -68.8   -35.4  Favored     ?  ?      9   8  0.36  10  0.75  molprobity  
 95   95  m-30      -72.8   -64.6  Allowed     ?  ?      9  13  0.63  18  0.79  molprobity  
 96   96  mt        -40.3   -58.0  Allowed     ?  ?     11   8  0.71  11  0.81  molprobity  
 97   97  OUTLIER   -60.8   -43.8  Favored     ?  ?     11   8  0.63  11  1.15  molprobity  
 98   98  ?         -75.8   -26.2  Favored     ?  ?      5   5  0.54   7  0.58  molprobity  
 99   99  mt-30     -64.5   -40.9  Favored     ?  ?      8   9  0.34  12  0.48  molprobity  
100  100  m         -63.5   -35.2  Favored     ?  ?      5   6  0.50   8  0.76  molprobity  
101  101  t         -61.3   -43.5  Favored     ?  ?      9   7  0.62  10  0.47  molprobity  
102  102  ?         -53.8   -44.4  Favored     ?  ?      3   4  0.38   5  0.84  molprobity  
103  103  ?         -68.0   -28.7  Favored     ?  ?      5   5  0.22   7  0.41  molprobity  
104  104  mt        -76.9   -48.1  Favored     ?  ?     11   8  0.74  11  0.63  molprobity  
105  105  t         -65.0   -37.7  Favored     ?  ?      9   7  0.43  10  0.70  molprobity  
106  106  ?         -68.7   -45.5  Favored     ?  ?      5   5  0.37   7  0.54  molprobity  
107  107  m         -56.5   -41.7  Favored     ?  ?      7   7  0.41  10  0.75  molprobity  
108  108  ?         -62.4   -40.1  Favored     ?  ?      5   5  0.25   7  0.34  molprobity  
109  109  mt        -74.7   -38.2  Favored     ?  ?     11   8  0.54  11  0.63  molprobity  
110  110  OUTLIER   -67.0   -37.2  Favored     ?  ?     11   8  0.34  11  0.68  molprobity  
111  111  m         -50.4   -26.9  Favored     ?  ?      5   6  0.43   8  0.58  molprobity  
112  112  ?         -84.4   -41.7  Favored     ?  ?      3   4  0.23   5  0.50  molprobity  
113  113  pt        -80.2   -22.4  Favored     ?  ?     11   8  0.41  11  0.87  molprobity  
114  114  t         -70.8   -97.4  OUTLIER     ?  ?      7   7  0.53  10  1.19  molprobity  
115  115  p          59.1   -53.3  Allowed     ?  ?      5   6  0.55   8  1.25  molprobity  
116  116  t         -58.7   -22.3  Favored     ?  ?      5   6  0.38   8  0.79  molprobity  
117  117  tp        -56.0   125.8  Favored     ?  ?     11   8  0.50  11  0.70  molprobity  
118  118  t         -58.1   -31.7  Favored     ?  ?      7   7  0.50  10  0.91  molprobity  
119  119  ?        -110.4   -15.0  Favored     ?  ?      3   4  0.45   5  1.13  molprobity  
120  120  m-80       57.9    66.4  Allowed     ?  ?      6   8  0.43  11  0.99  molprobity  
121  121  m         -68.6   -47.3  Favored     ?  ?      5   6  0.44   8  0.79  molprobity  
122  122  OUTLIER    46.7    42.5  Favored     ?  ?     11   8  0.39  11  0.47  molprobity  
123  123  ?          77.2   104.1  Allowed     ?  ?      3   4  0.17   5  0.49  molprobity  
124  124  mtm-85   -154.8   136.6  Favored     ?  ?     13  11  0.20  14  0.46  molprobity  
125  125  m-20     -112.8   104.3  Favored     ?  ?      6   8  0.27  11  0.57  molprobity  
126  126  t70      -112.7   139.9  Favored     ?  ?      4   8  0.45  11  0.64  molprobity  
127  127  mm?       -62.8    89.5  OUTLIER     ?  ?     11   8  0.67  11  1.03  molprobity  
128  128  ?         -51.0   160.8  Allowed     ?  ?      5   5  0.48   7  0.93  molprobity  
129  129  OUTLIER   -57.4   100.0  OUTLIER     ?  ?      4   8  0.30  11  0.66  molprobity  
130  130  ?         122.8   -32.0  Favored     ?  ?      3   4  0.37   5  0.88  molprobity  
131  131  t         -64.2   129.2  Favored     ?  ?      9   7  0.38  10  0.73  molprobity  
132  132  m120      -51.7   119.9  Favored     ?  ?      6   8  0.46  11  0.81  molprobity  
133  133  m         -68.7   115.8  Favored     ?  ?      5   6  0.48   8  0.31  molprobity  
134  134  ?          77.2   -43.3  Favored     ?  ?      3   4  0.33   5  0.57  molprobity  
135  135  mp0       -74.0     3.8  Favored     ?  ?      8   9  0.31  12  0.48  molprobity  
136  136  ?         -67.1    -3.5  Favored     ?  ?      3   4  0.41   5  1.14  molprobity  
137  137  tp        -75.4   -32.0  Favored     ?  ?     11   8  0.45  11  0.81  molprobity  
138  138  ?         -45.5   -33.9  Favored     ?  ?      3   4  0.53   5  0.51  molprobity  
139  139  OUTLIER   -82.1   -68.7  Allowed     ?  ?     11   8  0.69  11  1.67  molprobity  
140  140  mm-40     -50.2   -38.9  Favored     ?  ?      6   9  0.44  12  1.02  molprobity  
141  141  OUTLIER   -67.9   -17.4  Favored     ?  ?     11   8  0.55  11  1.12  molprobity  
142  142  OUTLIER  -128.6    17.9  Favored     ?  ?     11   8  0.99  11  1.37  molprobity  
143  143  ?        -106.6   -65.5  Allowed     ?  ?      3   4  0.51   5  0.62  molprobity  
144  144  m         -61.5   -22.4  Favored     ?  ?      7   7  0.72  10  0.98  molprobity  
145  145  tt        -51.1   -38.5  Favored     ?  ?     11   8  0.47  11  0.61  molprobity  
146  146  pp0?      -63.1   -37.8  Favored     ?  ?      8   9  0.31  12  0.84  molprobity  
147  147  OUTLIER   -66.5   -45.1  Favored     ?  ?     11   8  0.43  11  0.84  molprobity  
148  148  t         -72.9   -21.9  Favored     ?  ?      9   7  0.43  10  1.09  molprobity  
149  149  OUTLIER   -69.7   -42.1  Favored     ?  ?     11   8  0.80  11  0.87  molprobity  
150  150  t         -63.4   -62.6  Allowed     ?  ?      5   6  0.52   8  0.82  molprobity  
151  151  t         -45.6   -47.8  Favored     ?  ?      9   7  0.32  10  0.46  molprobity  
152  152  OUTLIER   -68.7   -34.4  Favored     ?  ?     11   8  0.29  11  0.39  molprobity  
153  153  ?         -81.1   -36.8  Favored     ?  ?      5   5  0.39   7  0.55  molprobity  
154  154  m         -70.3    -1.5  Favored     ?  ?      7   7  0.76  10  0.74  molprobity  
155  155  p        -122.6    10.4  Favored     ?  ?      7   7  0.78  10  0.93  molprobity  
156  156  t0        -45.0   -42.1  Favored     ?  ?      4   8  0.46  11  1.19  molprobity  
157  157  mmp_?      61.1    -8.9  Allowed     ?  ?     13  11  0.81  14  1.48  molprobity  
158  158  OUTLIER   -90.0   -27.7  Favored     ?  ?     13  11  0.34  14  1.34  molprobity  
159  159  mtp180    -78.3   120.3  Favored     ?  ?     13  11  0.72  14  0.94  molprobity  
160  160  mtm180    -95.6   -14.9  Favored     ?  ?     13  11  0.36  14  0.97  molprobity  
161  161  p30       -85.4    11.2  Favored     ?  ?      4   8  0.47  11  1.25  molprobity  
162  162  OUTLIER   -83.9   155.2  Favored     ?  ?     11   8  0.37  11  0.65  molprobity  
163  163  ?        -157.4   166.8  Favored     ?  ?      3   4  0.49   5  0.52  molprobity  
164  164  ?          72.8  -161.0  Favored     ?  ?      3   4  0.55   5  0.49  molprobity  
165  165  t         -86.6   127.2  Favored     ?  ?      5   6  0.48   8  0.67  molprobity  
166  166  ?         -67.9   -40.6  Favored     ?  ?      5   5  0.96   8  1.02  molprobity  
167  167  Cg_exo    -61.3   -60.0  Allowed     ?  ?      7   8  0.80  11  0.86  molprobity  
168  168  OUTLIER   -45.5   -30.3  Allowed     ?  ?     11   8  0.67  11  0.71  molprobity  
169  169  ?         -64.3   -69.5  Allowed     ?  ?      5   5  0.80   7  1.39  molprobity  
170  170  mt        -57.6   -41.2  Favored     ?  ?     11   8  0.82  11  0.85  molprobity  
171  171  ?         -66.1   -30.6  Favored     ?  ?      3   4  0.75   5  0.71  molprobity  
172  172  mt        -76.7   -26.7  Favored     ?  ?     11   8  0.59  11  0.78  molprobity  
173  173  OUTLIER   -75.5   -10.2  Favored     ?  ?      5   6  0.59   8  0.84  molprobity  
174  174  t         -90.9   -30.9  Favored     ?  ?      9   7  0.42  10  1.00  molprobity  
175  175  ?         -79.4    -9.3  Favored     ?  ?      5   5  0.30   7  0.62  molprobity  
176  176  tp        -79.8   -45.8  Favored     ?  ?     11   8  0.43  11  0.51  molprobity  
177  177  ?         -58.7   -48.6  Favored     ?  ?      3   4  0.28   5  0.91  molprobity  
178  178  m80       -66.0   -26.6  Favored     ?  ?      7  11  0.24  15  0.71  molprobity  
179  179  mt        -81.9   -17.0  Favored     ?  ?     11   8  0.43  11  0.74  molprobity  
180  180  tp        -89.3   -66.1  Allowed     ?  ?     11   8  0.75  11  0.87  molprobity  
181  181  ?         -83.1    24.6  Allowed     ?  ?      5   5  0.26   7  0.57  molprobity  
182  182  tp        -65.5   -51.9  Favored     ?  ?     11   8  0.47  11  0.81  molprobity  
183  183  p-10      -77.2   -26.7  Favored     ?  ?      4   8  0.35  11  0.68  molprobity  
184  184  m-85      -65.3   -70.8  Allowed     ?  ?      9  13  0.25  18  0.46  molprobity  
185  185  p        -108.9   -44.5  Favored     ?  ?      7   7  0.61  10  1.06  molprobity  
186  186  ?         125.8    22.2  Allowed     ?  ?      3   4  0.21   5  2.96  molprobity  
187  187  t          43.7   104.6  OUTLIER     ?  ?      5   6  0.45   8  1.53  molprobity  
188  188  ?        -122.0    72.0  Allowed     ?  ?      3   4  0.45   5  0.97  molprobity  
189  189  pt        -85.3    -5.4  Favored     ?  ?     11   8  0.51  11  0.68  molprobity  
190  190  OUTLIER  -119.9   111.5  Favored     ?  ?      6   8  0.78  12  0.90  molprobity  
191  191  Cg_exo    -52.8   -39.8  Favored     ?  ?      7   8  0.40  11  0.76  molprobity  
192  192  ?         -69.2   -36.0  Favored     ?  ?      5   5  0.43   7  0.74  molprobity  
193  193  OUTLIER   -65.5   -41.6  Favored     ?  ?     13  11  0.37  14  0.85  molprobity  
194  194  m         -75.2   -34.5  Favored     ?  ?      5   6  0.58   8  0.87  molprobity  
195  195  t80       -67.2   -59.9  Favored     ?  ?      9  12  0.40  16  0.63  molprobity  
196  196  ?         -68.7    -1.9  Favored     ?  ?      3   4  0.45   5  0.76  molprobity  
197  197  OUTLIER   -74.9   -37.1  Favored     ?  ?      5   6  0.59   8  0.90  molprobity  
198  198  ?        -141.7    91.7  Favored     ?  ?      5   5  0.34   7  0.96  molprobity  
199  199  OUTLIER  -141.2   -33.8  Allowed     ?  ?      9   7  0.43  10  0.88  molprobity  
200  200  OUTLIER  -111.1   -26.6  Favored     ?  ?     11   8  0.87  11  1.37  molprobity  
201  201  p         -77.4   -30.2  Favored     ?  ?      7   7  0.64  10  1.14  molprobity  
202  202  m80        62.2   106.8  OUTLIER     ?  ?      7  11  0.45  15  1.13  molprobity  
203  203  OUTLIER   176.6    86.6  OUTLIER     ?  ?      6   8  0.51  11  0.64  molprobity  
204  204  m-85      -97.5    28.1  Favored     ?  ?      9  12  0.45  16  0.61  molprobity  
205  205  p         -78.9   110.2  Favored     ?  ?      5   6  0.41   8  0.81  molprobity  
206  206  OUTLIER    73.7    15.9  Favored     ?  ?      6   8  0.79  11  0.99  molprobity  
207  207  OUTLIER   -68.7   -21.2  Favored     ?  ?      7  11  0.26  15  0.54  molprobity  
208  208  p-90      -72.6   -23.9  Favored     ?  ?     10  16  0.38  23  0.27  molprobity  
209  209  tp        -82.6   -29.3  Favored     ?  ?     11   8  0.53  11  0.93  molprobity  
210  210  m-85      -85.2    37.2  Allowed     ?  ?      9  12  0.41  16  0.55  molprobity  
211  211  m95      -154.8   -54.0  Allowed     ?  ?     10  16  0.33  23  0.29  molprobity  
212  212  p         -67.3   -31.0  Favored     ?  ?      9   7  0.43  10  0.76  molprobity  
213  213  ?        -154.3   104.2  Allowed     ?  Y      3   4  1.08   6  1.78  molprobity  
214  214  Cg_exo      4.9  -119.4  OUTLIER     ?  ?      7   8  0.69  11  2.01  molprobity  
215  215  t80        13.4   -75.3  OUTLIER     ?  ?      9  12  0.56  16  0.78  molprobity  
216  216  mt        -59.9   -45.2  Favored     ?  ?     11   8  0.53  11  0.47  molprobity  
217  217  ?         -62.4   -43.4  Favored     ?  ?      3   4  0.28   5  0.47  molprobity  
218  218  ?         -65.1   -33.4  Favored     ?  ?      3   4  0.36   5  0.70  molprobity  
219  219  ?         -79.3   -25.4  Favored     ?  ?      5   5  0.44   7  0.36  molprobity  
220  220  OUTLIER   -67.9   -40.4  Favored     ?  ?     11   8  0.59  11  1.12  molprobity  
221  221  ?         -57.5   -38.7  Favored     ?  ?      5   5  0.45   7  0.46  molprobity  
222  222  t         -55.7   -51.2  Favored     ?  ?      9   7  0.53  10  0.74  molprobity  
223  223  OUTLIER   -61.4   -36.3  Favored     ?  ?     11   8  0.38  11  0.61  molprobity  
224  224  mt        -64.5   -47.3  Favored     ?  ?     11   8  0.37  11  0.61  molprobity  
225  225  t80       -87.5   -66.9  Allowed     ?  ?      9  13  0.37  18  0.60  molprobity  
226  226  OUTLIER   -65.6    -0.9  Favored     ?  ?      4   8  0.49  11  0.85  molprobity  
227  227  m-85     -138.3   -21.9  Allowed     ?  ?      9  12  0.47  16  0.40  molprobity  
228  228  mt       -114.1   -54.1  Favored     ?  ?     11   8  0.62  11  0.63  molprobity  
229  229  mt        -91.2   -49.8  Favored     ?  ?     11   8  0.63  11  0.89  molprobity  
230  230  ?        -131.0    62.6  Favored     ?  ?      5   5  0.86   8  0.49  molprobity  
231  231  OUTLIER   -81.6   146.4  Favored     ?  ?      7   8  0.23  11  0.53  molprobity  
232  232  mpt_?     -67.9   118.4  Favored     ?  ?     13  11  0.36  14  1.17  molprobity  
233  233  m             ?       ?  ?           ?  ?      5   5  0.38   5  0.86  molprobity  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   39  HB3    1  0.41  1.66  
 2   40  H      1  0.41  1.66  
 3   51  HA     2  0.59  1.83  
 4   59  HB2    3  0.46  1.97  
 5   62  HB3    4  0.56  1.86  
 6   72  C      5  0.42  2.23  
 7   74  H      5  0.42  2.23  
 8   75  HD2    6  0.49  1.93  
 9   75  HB3    7  0.42  2.01  
10   90  HA     8  0.43  2.00  
11   93  HD12   8  0.43  2.00  
12   96  HG12   7  0.42  2.01  
13  101  HA     9  0.49  1.95  
14  104  HD12   9  0.49  1.95  
15  114  HG23  10  0.54  1.72  
16  114  HG21  11  0.49  1.94  
17  115  H     10  0.54  1.72  
18  117  HD23  12  0.62  1.64  
19  121  H     12  0.62  1.64  
20  122  HG    11  0.49  1.94  
21  125  HD21  13  0.53  2.07  
22  137  HG    14  0.42  2.01  
23  141  HD12  15  0.49  1.94  
24  141  HB    14  0.42  2.01  
25  143  O     16  0.54  2.08  
26  146  HG3   16  0.54  2.08  
27  147  O     17  0.48  2.13  
28  147  HD23  18  0.43  2.00  
29  148  HG23  18  0.43  2.00  
30  151  HG23  17  0.48  2.13  
31  156  C     19  0.46  2.19  
32  158  HH21  20  0.58  1.69  
33  158  H     19  0.46  2.19  
34  158  NH2   21  0.46  2.30  
35  162  HD13  22  0.41  1.91  
36  162  HA    22  0.41  1.91  
37  165  OG    23  0.61  1.99  
38  166  O     24  0.54  2.07  
39  167  HD2   23  0.61  1.99  
40  167  HB3    4  0.56  1.86  
41  169  HB3   24  0.54  2.07  
42  171  HA3    3  0.46  1.97  
43  178  HB3    2  0.59  1.83  
44  181  HA    25  0.40  1.86  
45  184  HD2   25  0.40  1.86  
46  191  HD2    6  0.49  1.93  
47  193  NH1   13  0.53  2.07  
48  195  HB2   26  0.53  1.72  
49  198  HA    27  0.50  2.10  
50  199  HG23  28  0.46  1.97  
51  200  HD13  28  0.46  1.97  
52  201  OG1   27  0.50  2.10  
53  211  HE1   26  0.53  1.72  
54  213  HA3   15  0.49  1.94  
55  221  HA    29  0.50  1.92  
56  223  HA    30  0.42  2.55  
57  224  O     31  0.57  2.04  
58  224  O     32  0.42  2.19  
59  224  HD12  29  0.50  1.92  
60  227  CD1   30  0.42  2.55  
61  228  HB    32  0.42  2.19  
62  229  HG    31  0.57  2.04  
63  232  HA    20  0.58  1.69  
64  232  HA    21  0.46  2.30  
#
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  
##
