data_4Q7Y

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4Q7Y
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4Q7Y
_pdbx_vrpt_summary.PDB_deposition_date         2014-04-25
_pdbx_vrpt_summary.PDB_revision_number         5
_pdbx_vrpt_summary.PDB_revision_date           2023-09-20
_pdbx_vrpt_summary.report_creation_date        2023-10-07:22:20
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,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      "Serine protease 57"  
2  branched     alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose  
3  non-polymer  2-acetamido-2-deoxy-beta-D-glucopyranose  
4  non-polymer  "CHLORIDE ION"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.7  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   98.07  141614     ?     ?  
 2  2  1   99.42    3122  2.70  2.70  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3069  2.70  2.70  
 5  1  3   62.50  138945     ?     ?  
 6  2  3   84.75    3069  2.70  2.70  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    2737  2.70  2.70  
 9  1  5   46.99  130704     ?     ?  
10  2  5   79.68    2808  2.70  2.70  
#
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   84.75  
5  7  4  A  1  1  A  100.00  
6  8  4  A  1  1  A  100.00  
#
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  0.67  0.43  1851  2521  
2  1  2  B  B     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.57
_pdbx_vrpt_summary_geometry.clashscore                     0.55
_pdbx_vrpt_summary_geometry.num_H_reduce                   1788
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1851
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.43
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2521
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.67
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            30.326
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         35.273
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.34(2.69A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8192
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.327
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.479
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.310
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.930
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.075
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.70
_pdbx_vrpt_summary_diffraction.EDS_res_low               43.32
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[36.446,36.446,33.328,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.088
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.82% 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         99.81
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      802
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.79
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.70
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        43.32
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
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
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
  1  1  1  A    1  ILE  A   16  .  ?        ?     ?  
  2  1  1  A    2  ILE  A   17  .  ?        ?     ?  
  3  1  1  A    3  GLY  A   18  .  ?        ?     ?  
  4  1  1  A    4  GLY  A   19  .  ?        ?     ?  
  5  1  1  A    5  HIS  A   20  A  ?        ?     ?  
  6  1  1  A    5  HIS  A   20  B  ?        ?     ?  
  7  1  1  A    6  GLU  A   21  .  ?        ?     ?  
  8  1  1  A    7  VAL  A   22  .  ?        ?     ?  
  9  1  1  A    8  THR  A   23  .  ?        ?     ?  
 10  1  1  A    9  PRO  A   24  .  ?        ?     ?  
 11  1  1  A   10  HIS  A   25  .  ?        ?     ?  
 12  1  1  A   11  SER  A   26  .  ?        ?     ?  
 13  1  1  A   12  ARG  A   27  .  ?        ?     ?  
 14  1  1  A   13  PRO  A   28  .  ?        1     ?  
 15  1  1  A   14  TYR  A   29  .  ?        ?     ?  
 16  1  1  A   15  MET  A   30  .  ?        ?     ?  
 17  1  1  A   16  ALA  A   31  .  ?        ?     ?  
 18  1  1  A   17  SER  A   32  .  ?        ?     ?  
 19  1  1  A   18  VAL  A   33  .  ?        ?     ?  
 20  1  1  A   19  ARG  A   34  .  ?        ?     ?  
 21  1  1  A   20  PHE  A   35  .  ?        ?     ?  
 22  1  1  A   21  GLY  A   36  .  ?        ?     ?  
 23  1  1  A   22  GLY  A   38  .  ?        ?     ?  
 24  1  1  A   23  GLN  A   39  .  ?        ?     ?  
 25  1  1  A   24  HIS  A   40  .  ?        ?     ?  
 26  1  1  A   25  HIS  A   41  .  ?        ?     ?  
 27  1  1  A   26  CYS  A   42  .  ?        ?     ?  
 28  1  1  A   27  GLY  A   43  .  ?        ?     ?  
 29  1  1  A   28  GLY  A   44  .  ?        ?     ?  
 30  1  1  A   29  PHE  A   45  .  ?        ?     ?  
 31  1  1  A   30  LEU  A   46  .  ?        ?     ?  
 32  1  1  A   31  LEU  A   47  .  ?        ?     ?  
 33  1  1  A   32  ARG  A   48  .  ?        ?     ?  
 34  1  1  A   33  ALA  A   49  .  ?        ?     ?  
 35  1  1  A   34  ARG  A   50  .  ?        ?     ?  
 36  1  1  A   35  TRP  A   51  .  ?        ?     ?  
 37  1  1  A   36  VAL  A   52  .  ?        ?     ?  
 38  1  1  A   37  VAL  A   53  .  ?        ?     ?  
 39  1  1  A   38  SER  A   54  .  ?        ?     ?  
 40  1  1  A   39  ALA  A   55  .  ?        ?     ?  
 41  1  1  A   40  ALA  A   56  .  ?        ?     ?  
 42  1  1  A   41  HIS  A   57  .  ?        ?     ?  
 43  1  1  A   42  CYS  A   58  .  ?        ?     ?  
 44  1  1  A   43  PHE  A   59  .  ?        ?     ?  
 45  1  1  A   44  SER  A   60  .  ?        ?     ?  
 46  1  1  A   45  HIS  A   61  .  ?        ?     ?  
 47  1  1  A   46  ARG  A   62  .  ?        ?     ?  
 48  1  1  A   47  ASP  A   62  .  A        ?     ?  
 49  1  1  A   48  LEU  A   62  .  B        ?     ?  
 50  1  1  A   49  ARG  A   62  .  C        ?     ?  
 51  1  1  A   50  THR  A   63  .  ?        ?     ?  
 52  1  1  A   51  GLY  A   64  .  ?        ?     ?  
 53  1  1  A   52  LEU  A   65  .  ?        ?     ?  
 54  1  1  A   53  VAL  A   66  .  ?        ?     ?  
 55  1  1  A   54  VAL  A   67  .  ?        1     ?  
 56  1  1  A   55  LEU  A   68  .  ?        ?     ?  
 57  1  1  A   56  GLY  A   69  .  ?        ?     ?  
 58  1  1  A   57  ALA  A   70  .  ?        ?     ?  
 59  1  1  A   58  HIS  A   71  .  ?        ?     ?  
 60  1  1  A   59  VAL  A   72  .  ?        ?     ?  
 61  1  1  A   60  LEU  A   73  .  ?        ?     ?  
 62  1  1  A   61  SER  A   74  .  ?        ?     ?  
 63  1  1  A   62  THR  A   75  .  ?        ?     ?  
 64  1  1  A   63  ALA  A   76  .  ?        ?     ?  
 65  1  1  A   64  GLU  A   77  .  ?        ?     ?  
 66  1  1  A   65  PRO  A   78  .  ?        ?     ?  
 67  1  1  A   66  THR  A   79  .  ?        ?     ?  
 68  1  1  A   67  GLN  A   80  .  ?        ?     ?  
 69  1  1  A   68  GLN  A   81  .  ?        ?     ?  
 70  1  1  A   69  VAL  A   82  .  ?        1     ?  
 71  1  1  A   70  PHE  A   83  .  ?        ?     ?  
 72  1  1  A   71  GLY  A   84  .  ?        ?     ?  
 73  1  1  A   72  ILE  A   85  .  ?        ?     ?  
 74  1  1  A   73  ASP  A   86  .  ?        ?     ?  
 75  1  1  A   74  ALA  A   87  .  ?        ?     ?  
 76  1  1  A   75  LEU  A   88  .  ?        ?     ?  
 77  1  1  A   76  THR  A   89  .  ?        ?     ?  
 78  1  1  A   77  THR  A   90  .  ?        ?     ?  
 79  1  1  A   78  HIS  A   91  .  ?        ?     ?  
 80  1  1  A   79  PRO  A   92  .  ?        ?     ?  
 81  1  1  A   80  ASP  A   93  .  ?        ?     ?  
 82  1  1  A   81  TYR  A   94  .  ?        ?     ?  
 83  1  1  A   82  HIS  A   95  .  ?        ?     ?  
 84  1  1  A   83  PRO  A   96  .  ?        ?     ?  
 85  1  1  A   84  MET  A   97  .  ?        ?     ?  
 86  1  1  A   85  THR  A   98  .  ?        ?     ?  
 87  1  1  A   86  HIS  A   99  .  ?        ?     ?  
 88  1  1  A   87  ALA  A  100  .  ?        ?     ?  
 89  1  1  A   88  ASN  A  101  .  ?        ?     ?  
 90  1  1  A   89  ASP  A  102  .  ?        ?     ?  
 91  1  1  A   90  ILE  A  103  .  ?        ?     ?  
 92  1  1  A   91  CYS  A  104  .  ?        ?     ?  
 93  1  1  A   92  LEU  A  105  .  ?        ?     ?  
 94  1  1  A   93  LEU  A  106  .  ?        ?     ?  
 95  1  1  A   94  ARG  A  107  .  ?        ?     ?  
 96  1  1  A   95  LEU  A  108  .  ?        ?     ?  
 97  1  1  A   96  ASN  A  109  .  ?        ?     ?  
 98  1  1  A   97  GLY  A  110  .  ?        ?     ?  
 99  1  1  A   98  SER  A  111  .  ?        ?     ?  
100  1  1  A   99  ALA  A  112  .  ?        ?     ?  
101  1  1  A  100  VAL  A  113  .  ?        ?     ?  
102  1  1  A  101  LEU  A  114  .  ?        ?     ?  
103  1  1  A  102  GLY  A  115  .  ?        ?     ?  
104  1  1  A  103  PRO  A  116  .  ?        ?     ?  
105  1  1  A  104  ALA  A  117  .  ?        ?     ?  
106  1  1  A  105  VAL  A  118  .  ?        ?     ?  
107  1  1  A  106  GLY  A  119  .  ?        1     ?  
108  1  1  A  107  LEU  A  120  .  ?        ?     ?  
109  1  1  A  108  LEU  A  121  .  ?        ?     ?  
110  1  1  A  109  ARG  A  122  .  ?        ?     ?  
111  1  1  A  110  LEU  A  123  .  ?        ?     ?  
112  1  1  A  111  PRO  A  124  .  ?        ?     ?  
113  1  1  A  112  GLY  A  124  .  A        ?     ?  
114  1  1  A  113  ARG  A  125  .  ?        ?     ?  
115  1  1  A  114  ARG  A  126  .  ?        ?     ?  
116  1  1  A  115  ALA  A  127  .  ?        ?     ?  
117  1  1  A  116  ARG  A  128  .  ?        ?     ?  
118  1  1  A  117  PRO  A  129  .  ?        ?     ?  
119  1  1  A  118  PRO  A  130  .  ?        ?     ?  
120  1  1  A  119  THR  A  131  .  ?        ?     ?  
121  1  1  A  120  ALA  A  132  .  ?        ?     ?  
122  1  1  A  121  GLY  A  133  .  ?        ?     ?  
123  1  1  A  122  THR  A  134  .  ?        ?     ?  
124  1  1  A  123  ARG  A  135  .  ?        ?     ?  
125  1  1  A  124  CYS  A  136  .  ?        ?     ?  
126  1  1  A  125  ARG  A  137  .  ?        ?     ?  
127  1  1  A  126  VAL  A  138  .  ?        ?     ?  
128  1  1  A  127  ALA  A  139  .  ?        ?     ?  
129  1  1  A  128  GLY  A  140  .  ?        ?     ?  
130  1  1  A  129  TRP  A  141  .  ?        ?     ?  
131  1  1  A  130  GLY  A  142  .  ?        ?     ?  
132  1  1  A  131  PHE  A  143  .  ?        ?     ?  
133  1  1  A  132  VAL  A  144  .  ?        ?     ?  
134  1  1  A  133  SER  A  145  .  ?        ?     ?  
135  1  1  A  134  ASP  A  147  .  ?        ?     ?  
136  1  1  A  135  PHE  A  148  .  ?        ?     ?  
137  1  1  A  136  GLU  A  149  .  ?        ?     ?  
138  1  1  A  137  GLU  A  150  .  ?        ?     ?  
139  1  1  A  138  LEU  A  151  .  ?        ?     ?  
140  1  1  A  139  PRO  A  152  .  ?        ?     ?  
141  1  1  A  140  PRO  A  153  .  ?        ?     ?  
142  1  1  A  141  GLY  A  154  .  ?        ?     ?  
143  1  1  A  142  LEU  A  155  .  ?        ?     ?  
144  1  1  A  143  MET  A  156  .  ?        ?     ?  
145  1  1  A  144  GLU  A  157  .  ?        ?     ?  
146  1  1  A  145  ALA  A  158  .  ?        ?     ?  
147  1  1  A  146  LYS  A  159  .  ?        ?     ?  
148  1  1  A  147  VAL  A  160  .  ?        ?     ?  
149  1  1  A  148  ARG  A  161  .  ?        ?     ?  
150  1  1  A  149  VAL  A  162  .  ?        ?     ?  
151  1  1  A  150  LEU  A  163  .  ?        ?     ?  
152  1  1  A  151  ASP  A  164  .  ?        ?     ?  
153  1  1  A  152  PRO  A  165  .  ?        ?     ?  
154  1  1  A  153  ASP  A  166  .  ?        ?     ?  
155  1  1  A  154  VAL  A  167  .  ?        ?     ?  
156  1  1  A  155  CYS  A  168  .  ?        ?     ?  
157  1  1  A  156  ASN  A  169  .  ?        ?     ?  
158  1  1  A  157  SER  A  170  .  ?        ?     ?  
159  1  1  A  158  SER  A  171  .  ?        ?     ?  
160  1  1  A  159  TRP  A  172  .  ?        ?     ?  
161  1  1  A  160  LYS  A  173  .  ?        ?     ?  
162  1  1  A  161  GLY  A  174  .  ?        ?     ?  
163  1  1  A  162  HIS  A  175  .  ?        ?     ?  
164  1  1  A  163  LEU  A  176  .  ?        ?     ?  
165  1  1  A  164  THR  A  177  .  ?        ?     ?  
166  1  1  A  165  LEU  A  178  .  ?        ?     ?  
167  1  1  A  166  THR  A  179  .  ?        ?     ?  
168  1  1  A  167  MET  A  180  .  ?        ?     ?  
169  1  1  A  168  LEU  A  181  .  ?        ?     ?  
170  1  1  A  169  CYS  A  182  .  ?        ?     ?  
171  1  1  A  170  THR  A  183  .  ?        ?     ?  
172  1  1  A  171  ARG  A  184  .  ?        ?     ?  
173  1  1  A  172  SER  A  185  .  ?        ?     ?  
174  1  1  A  173  GLY  A  186  .  ?        ?     ?  
175  1  1  A  174  ASP  A  186  .  A        ?     ?  
176  1  1  A  175  SER  A  186  .  B        ?     ?  
177  1  1  A  176  HIS  A  187  .  ?        ?     ?  
178  1  1  A  177  ARG  A  188  .  ?        ?     ?  
179  1  1  A  178  ARG  A  188  .  A        ?     ?  
180  1  1  A  179  GLY  A  189  .  ?        ?     ?  
181  1  1  A  180  PHE  A  190  .  ?        ?     ?  
182  1  1  A  181  CYS  A  191  .  ?        ?     ?  
183  1  1  A  182  SER  A  192  .  ?        ?     ?  
184  1  1  A  183  ALA  A  193  .  ?        ?     ?  
185  1  1  A  184  ASP  A  194  .  ?        ?     ?  
186  1  1  A  185  SER  A  195  .  ?        ?     ?  
187  1  1  A  186  GLY  A  196  .  ?        ?     ?  
188  1  1  A  187  GLY  A  197  .  ?        ?     ?  
189  1  1  A  188  PRO  A  198  .  ?        ?     ?  
190  1  1  A  189  LEU  A  199  .  ?        ?     ?  
191  1  1  A  190  VAL  A  200  .  ?        ?     ?  
192  1  1  A  191  CYS  A  201  .  ?        ?     ?  
193  1  1  A  192  ARG  A  202  .  ?        ?     ?  
194  1  1  A  193  ASN  A  207  .  ?        ?     ?  
195  1  1  A  194  ARG  A  208  .  ?        ?     ?  
196  1  1  A  195  ALA  A  209  .  ?        ?     ?  
197  1  1  A  196  HIS  A  210  .  ?        ?     ?  
198  1  1  A  197  GLY  A  211  .  ?        ?     ?  
199  1  1  A  198  LEU  A  212  .  ?        ?     ?  
200  1  1  A  199  VAL  A  213  .  ?        ?     ?  
201  1  1  A  200  SER  A  214  .  ?        ?     ?  
202  1  1  A  201  PHE  A  215  .  ?        ?     ?  
203  1  1  A  202  SER  A  216  .  ?        ?     ?  
204  1  1  A  203  GLY  A  217  .  ?        ?     ?  
205  1  1  A  204  LEU  A  218  .  ?        ?     ?  
206  1  1  A  205  TRP  A  219  .  ?        ?     ?  
207  1  1  A  206  CYS  A  220  .  ?        ?     ?  
208  1  1  A  207  GLY  A  221  .  ?        ?     ?  
209  1  1  A  208  ASP  A  222  .  ?        ?     ?  
210  1  1  A  209  PRO  A  222  .  A        ?     ?  
211  1  1  A  210  LYS  A  223  .  ?        ?     ?  
212  1  1  A  211  THR  A  224  .  ?        ?     ?  
213  1  1  A  212  PRO  A  225  .  ?        ?     ?  
214  1  1  A  213  ASP  A  226  .  ?        ?     ?  
215  1  1  A  214  VAL  A  227  .  ?        ?     ?  
216  1  1  A  215  TYR  A  228  .  ?        ?     ?  
217  1  1  A  216  THR  A  229  .  ?        ?     ?  
218  1  1  A  217  GLN  A  230  .  ?        ?     ?  
219  1  1  A  218  VAL  A  231  .  ?        ?     ?  
220  1  1  A  219  SER  A  232  .  ?        ?     ?  
221  1  1  A  220  ALA  A  233  .  ?        ?     ?  
222  1  1  A  221  PHE  A  234  .  ?        ?     ?  
223  1  1  A  222  VAL  A  235  .  ?        ?     ?  
224  1  1  A  223  ALA  A  236  .  ?        ?     ?  
225  1  1  A  224  TRP  A  237  .  ?        ?     ?  
226  1  1  A  225  ILE  A  238  .  ?        ?     ?  
227  1  1  A  226  TRP  A  239  .  ?        ?     ?  
228  1  1  A  227  ASP  A  240  .  ?        ?     ?  
229  1  1  A  228  VAL  A  241  .  ?        ?     ?  
230  1  1  A  229  VAL  A  242  .  ?        ?     ?  
231  1  1  A  230  ARG  A  243  .  ?        ?     ?  
232  1  1  A  231  ARG  A  244  .  ?        ?     ?  
233  1  1  A  232  SER  A  245  .  ?        ?     ?  
234  1  1  A  233  SER  A  246  .  ?        ?     ?  
235  1  1  A  234  PRO  A  247  .  ?        ?     ?  
236  1  2  B    .  NAG  B    1  .  ?        ?     2  
237  1  2  B    .  FUC  B    2  .  ?        ?     ?  
238  1  3  C    .  NAG  A  301  .  ?        ?     1  
239  1  4  D    .  CL   A  304  .  ?        ?     ?  
240  1  5  E    .  HOH  A  401  .  ?        ?     ?  
241  1  5  E    .  HOH  A  402  .  ?        ?     ?  
242  1  5  E    .  HOH  A  403  .  ?        ?     ?  
243  1  5  E    .  HOH  A  404  .  ?        ?     ?  
244  1  5  E    .  HOH  A  405  .  ?        ?     ?  
245  1  5  E    .  HOH  A  406  .  ?        ?     ?  
246  1  5  E    .  HOH  A  407  .  ?        ?     ?  
247  1  5  E    .  HOH  A  408  .  ?        ?     ?  
248  1  5  E    .  HOH  A  409  .  ?        ?     ?  
249  1  5  E    .  HOH  A  410  .  ?        ?     ?  
250  1  5  E    .  HOH  A  411  .  ?        ?     ?  
251  1  5  E    .  HOH  A  412  .  ?        ?     ?  
252  1  5  E    .  HOH  A  413  .  ?        ?     ?  
253  1  5  E    .  HOH  A  414  .  ?        ?     ?  
254  1  5  E    .  HOH  A  415  .  ?        ?     ?  
255  1  5  E    .  HOH  A  416  .  ?        ?     ?  
#
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.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  mm            ?       ?  ?           ?    10  20.510     8  0.49    11  0.66  molprobity  1.000  
  2    2  tt       -106.8   140.8  Favored     ?    11  29.420     8  0.65    11  0.63  molprobity  1.000  
  3    3  ?          67.2    17.5  Favored     ?     3  30.300     4  0.37     5  0.76  molprobity  1.000  
  4    4  ?        -103.9  -172.4  Favored     ?     3  29.430     4  0.45     5  0.65  molprobity  1.000  
  5    5  p80      -135.7   153.8  Favored     ?     7  32.280    11  0.20    15  0.19  molprobity  1.000  
  6    6  p80      -135.7   153.8  Favored     ?     7  32.280    11  0.20    15  0.19  molprobity  1.000  
  7    7  tt0       -71.6   122.4  Favored     ?     6  31.710     9  0.31    12  0.43  molprobity  1.000  
  8    8  m         -70.3   160.7  Favored     ?     9  28.590     7  0.63    10  0.45  molprobity  1.000  
  9    9  m         -63.9   137.0  Favored     ?     7  28.850     7  0.24    11  0.88  molprobity  1.000  
 10   10  Cg_exo    -52.6   123.2  Favored     ?     7  27.690     8  0.24    11  0.88  molprobity  1.000  
 11   11  m-70       70.0    17.7  Favored     ?     7  32.010    11  0.54    15  0.85  molprobity  1.000  
 12   12  p         -70.7   -14.7  Favored     ?     5  29.250     6  0.51     8  0.75  molprobity  1.000  
 13   13  mmt-85   -125.0    71.6  Favored     ?    13  31.730    11  0.65    15  0.63  molprobity  1.000  
 14   14  Cg_endo   -63.1   -13.5  Favored     ?     7  27.390     8  0.46    11  0.86  molprobity  1.000  
 15   15  p90       -73.1   -20.9  Favored     ?     9  22.850    13  0.36    18  0.50  molprobity  1.000  
 16   16  mmm       -62.8   132.6  Favored     ?     9  21.370     8  0.34    10  0.89  molprobity  1.000  
 17   17  ?        -117.7   151.0  Favored     ?     5  22.660     5  0.34     7  0.49  molprobity  1.000  
 18   18  t        -120.0   118.2  Favored     ?     5  27.780     6  0.35     8  0.54  molprobity  1.000  
 19   19  t         -93.8   115.7  Favored     ?     9  26.350     7  0.41    10  1.13  molprobity  1.000  
 20   20  mtt180   -104.3   136.2  Favored     ?    13  41.280    11  0.46    14  0.79  molprobity  1.000  
 21   21  m-85     -128.3   113.8  Favored     ?     9  35.800    12  0.52    16  0.39  molprobity  1.000  
 22   22  ?          70.6    32.4  Favored     ?     3  42.340     4  0.50     5  0.69  molprobity  1.000  
 23   23  ?          89.1   -23.4  Favored     ?     3  42.940     4  0.50     5  0.50  molprobity  1.000  
 24   24  mt-30     -89.2   148.2  Favored     ?     8  53.220     9  0.24    12  0.52  molprobity  1.000  
 25   25  t60       -71.2   136.6  Favored     ?     7  24.660    11  0.23    15  0.56  molprobity  1.000  
 26   26  t60      -128.7   -38.0  Allowed     ?     7  35.640    11  0.33    15  0.53  molprobity  1.000  
 27   27  m        -146.3   165.4  Favored     ?     4  27.440     6  0.26     8  0.55  molprobity  1.000  
 28   28  ?        -103.6  -175.8  Favored     ?     3  20.490     4  0.45     5  0.71  molprobity  1.000  
 29   29  ?         167.6  -177.0  Favored     ?     3  19.130     4  0.23     5  0.49  molprobity  1.000  
 30   30  p90      -139.2   156.4  Favored     ?     9  21.380    12  0.60    16  0.62  molprobity  1.000  
 31   31  tp        -85.8   113.3  Favored     ?    11  21.980     8  0.40    11  0.71  molprobity  1.000  
 32   32  tp        -90.2   -41.0  Favored     ?    11  22.260     8  0.43    11  1.05  molprobity  1.000  
 33   33  mmt85    -143.8   158.3  Favored     ?    13  37.760    11  0.31    14  0.62  molprobity  1.000  
 34   34  ?         -39.3   -40.5  Allowed     ?     5  26.540     5  0.48     7  0.35  molprobity  1.000  
 35   35  ptt180   -112.2     8.9  Favored     ?    13  38.190    11  0.42    14  0.94  molprobity  1.000  
 36   36  m95      -121.7   127.0  Favored     ?    10  22.560    16  0.24    23  0.50  molprobity  1.000  
 37   37  t        -118.5   129.4  Favored     ?     9  18.300     7  0.30    10  0.39  molprobity  1.000  
 38   38  t         -98.8   130.5  Favored     ?     9  14.720     7  0.60    10  0.77  molprobity  1.000  
 39   39  t        -144.1  -173.4  Favored     ?     5  17.070     6  0.51     8  0.47  molprobity  1.000  
 40   40  ?         -97.9   137.3  Favored     ?     5  17.480     5  0.37     7  0.64  molprobity  1.000  
 41   41  ?         -58.9   -40.5  Favored     ?     5  21.360     5  0.51     7  0.58  molprobity  1.000  
 42   42  p-80      -55.3   -19.3  Favored     ?     7  25.050    11  0.27    15  0.80  molprobity  1.000  
 43   43  m         -68.3   -21.6  Favored     ?     4  28.670     6  0.48     8  0.82  molprobity  1.000  
 44   44  m-85     -112.8    -0.9  Favored     ?     9  26.550    12  0.36    16  0.52  molprobity  1.000  
 45   45  m         -59.8   113.9  Favored     ?     5  41.390     6  0.44     8  0.87  molprobity  1.000  
 46   46  m-70       64.7    49.1  Favored     ?     7  52.390    11  0.33    15  0.33  molprobity  1.000  
 47   47  mtt-85   -135.8   143.1  Favored     ?    13  53.080    11  0.33    14  0.51  molprobity  1.000  
 48   48  t0        -84.0   112.3  Favored     ?     4  52.040     8  0.24    11  0.70  molprobity  1.000  
 49   49  tp        -56.1   -24.6  Favored     ?    11  41.220     8  0.32    11  0.57  molprobity  1.000  
 50   50  ptp180    -71.1   -22.4  Favored     ?    13  78.330    11  0.38    14  0.77  molprobity  1.000  
 51   51  p         -87.9    -4.5  Favored     ?     7  41.270     7  0.62    10  0.43  molprobity  1.000  
 52   52  ?         -86.4   136.9  Favored     ?     3  34.430     4  0.64     5  1.02  molprobity  1.000  
 53   53  mt       -133.6   140.8  Favored     ?    11  33.510     8  0.54    11  0.74  molprobity  1.000  
 54   54  t        -113.9   119.1  Favored     ?     9  28.570     7  0.28    10  0.85  molprobity  1.000  
 55   55  t        -109.9   126.8  Favored     ?     9  27.380     7  0.39    10  0.73  molprobity  1.000  
 56   56  mt       -123.2   152.3  Favored     ?    11  27.690     8  0.28    11  0.61  molprobity  1.000  
 57   57  ?          81.9    20.2  Favored     ?     3  30.300     4  0.29     5  0.60  molprobity  1.000  
 58   58  ?         -98.1   151.4  Favored     ?     5  27.450     5  0.39     7  0.87  molprobity  1.000  
 59   59  t60      -124.7   -60.0  Allowed     ?     7  31.120    11  0.42    15  0.91  molprobity  1.000  
 60   60  t        -103.5   103.6  Favored     ?     9  38.500     7  0.36    10  0.60  molprobity  1.000  
 61   61  mt        -54.9   -33.0  Favored     ?    11  36.230     8  0.41    11  0.84  molprobity  1.000  
 62   62  p         -81.9     2.1  Favored     ?     5  41.390     6  0.37     8  0.49  molprobity  1.000  
 63   63  m        -113.4   131.1  Favored     ?     7  38.470     7  0.27    10  0.32  molprobity  1.000  
 64   64  ?         -80.4    76.3  Favored     ?     5  41.790     5  0.16     7  1.00  molprobity  1.000  
 65   65  mt-10     -66.5   138.4  Favored     ?     6  41.570     9  0.30    13  0.54  molprobity  1.000  
 66   66  Cg_endo   -67.7   -14.6  Favored     ?     7  41.770     8  0.27    11  0.75  molprobity  1.000  
 67   67  p         -86.8   -15.3  Favored     ?     7  35.090     7  0.46    10  0.49  molprobity  1.000  
 68   68  mt-30     -71.6   136.5  Favored     ?     8  34.640     9  0.26    12  0.66  molprobity  1.000  
 69   69  mt-30    -127.0   114.6  Favored     ?     8  34.520     9  0.21    12  0.63  molprobity  1.000  
 70   70  t        -100.7   127.0  Favored     ?     9  28.720     7  0.68    10  0.56  molprobity  1.000  
 71   71  m-85     -130.3   154.5  Favored     ?     9  28.470    12  0.47    16  0.55  molprobity  1.000  
 72   72  ?         -91.5   168.2  Favored     ?     3  31.300     4  0.13     5  0.69  molprobity  1.000  
 73   73  mt       -103.2   105.8  Favored     ?    11  26.900     8  0.69    11  0.56  molprobity  1.000  
 74   74  m-20      -73.2   -25.7  Favored     ?     4  34.310     8  0.37    11  0.61  molprobity  1.000  
 75   75  ?        -162.4   140.1  Favored     ?     5  26.080     5  0.30     7  0.71  molprobity  1.000  
 76   76  tp       -116.4   127.3  Favored     ?    11  28.490     8  0.51    11  1.00  molprobity  1.000  
 77   77  m        -118.4   102.8  Favored     ?     7  29.280     7  0.52    10  0.86  molprobity  1.000  
 78   78  m         -79.1   151.7  Favored     ?     7  26.530     7  0.30    10  0.90  molprobity  1.000  
 79   79  t-80      -63.6   136.0  Favored     ?     7  24.060    11  0.65    16  0.42  molprobity  1.000  
 80   80  Cg_endo   -54.0   -31.1  Favored     ?     7  24.360     8  0.55    11  0.72  molprobity  1.000  
 81   81  m-20     -100.2    17.6  Favored     ?     4  28.710     8  0.74    11  0.58  molprobity  1.000  
 82   82  t80       -69.9   114.0  Favored     ?     9  28.570    13  0.46    18  0.48  molprobity  1.000  
 83   83  m-70     -104.2   109.2  Favored     ?     7  34.710    11  0.44    16  0.44  molprobity  1.000  
 84   84  Cg_endo   -59.5   -31.0  Favored     ?     7  37.450     8  0.36    11  0.97  molprobity  1.000  
 85   85  mtp       -70.5   -41.9  Favored     ?     9  51.680     8  0.66    10  0.76  molprobity  1.000  
 86   86  p         -90.8   -24.1  Favored     ?     7  40.560     7  0.43    10  0.79  molprobity  1.000  
 87   87  m80        77.1    19.9  Allowed     ?     7  34.080    11  0.65    15  0.76  molprobity  1.000  
 88   88  ?         -69.7   135.7  Favored     ?     5  27.910     5  0.25     7  0.75  molprobity  1.000  
 89   89  m-80       54.6    42.9  Favored     ?     6  23.140     8  0.52    11  0.61  molprobity  1.000  
 90   90  t0        -79.0    73.8  Favored     ?     4  24.740     8  0.42    11  0.97  molprobity  1.000  
 91   91  tt       -144.7   152.9  Favored     ?    11  21.490     8  0.76    11  0.79  molprobity  1.000  
 92   92  p        -159.2   157.5  Favored     ?     5  21.060     6  0.36     8  0.35  molprobity  1.000  
 93   93  mt       -118.9   139.9  Favored     ?    11  23.180     8  0.40    11  0.47  molprobity  1.000  
 94   94  mt       -115.4   114.0  Favored     ?    11  24.050     8  0.31    11  0.70  molprobity  1.000  
 95   95  ttp180    -94.9   110.3  Favored     ?    13  30.610    11  0.20    14  0.71  molprobity  1.000  
 96   96  mt        -76.9   154.7  Favored     ?    11  24.320     8  0.43    11  0.66  molprobity  1.000  
 97   97  p-10      -72.0    20.7  Allowed     ?     5  37.350     8  0.39    11  0.96  molprobity  1.000  
 98   98  ?         175.2   174.0  Favored     ?     3  32.080     4  0.07     5  0.43  molprobity  1.000  
 99   99  m        -104.5   131.9  Favored     ?     5  34.840     6  0.15     8  0.55  molprobity  1.000  
100  100  ?         -64.1   139.2  Favored     ?     5  31.300     5  0.31     7  0.52  molprobity  1.000  
101  101  t         -90.3   105.2  Favored     ?     9  34.490     7  0.38    10  0.99  molprobity  1.000  
102  102  mt        -63.3   134.4  Favored     ?    11  31.640     8  0.29    11  0.59  molprobity  1.000  
103  103  ?        -157.7  -164.4  Favored     ?     3  34.830     4  0.12     6  0.32  molprobity  1.000  
104  104  Cg_endo   -69.7   -17.9  Favored     ?     7  38.730     8  0.43    11  0.63  molprobity  1.000  
105  105  ?        -105.5   -10.4  Favored     ?     5  34.170     5  0.39     7  0.86  molprobity  1.000  
106  106  t        -132.3   112.0  Favored     ?     9  30.650     7  0.54    10  0.54  molprobity  1.000  
107  107  ?        -136.5   177.3  Favored     ?     3  26.920     4  0.34     5  0.52  molprobity  1.000  
108  108  mt       -105.3   150.7  Favored     ?    11  23.050     8  0.32    11  0.77  molprobity  1.000  
109  109  tp       -112.7   133.8  Favored     ?    11  19.020     8  0.34    11  0.77  molprobity  1.000  
110  110  mmm-85    -80.8   138.6  Favored     ?    13  31.110    11  0.28    14  0.71  molprobity  1.000  
111  111  mt        -79.2   162.2  Favored     ?    11  25.950     8  0.71    12  1.01  molprobity  1.000  
112  112  Cg_exo    -68.5   169.6  Favored     ?     7  39.410     8  0.32    11  0.58  molprobity  1.000  
113  113  ?         -64.3   163.2  Favored     ?     3  43.680     4  0.59     5  0.53  molprobity  1.000  
114  114  mtt180    -70.0   -32.1  Favored     ?    13  45.450    11  0.34    14  0.42  molprobity  1.000  
115  115  mmt-85   -107.0    25.3  Favored     ?    13  72.490    11  0.56    14  0.54  molprobity  1.000  
116  116  ?         -95.4   137.4  Favored     ?     5  51.650     5  0.35     7  0.60  molprobity  1.000  
117  117  mtt180    -88.3   157.2  Favored     ?    13  71.420    11  0.51    15  0.60  molprobity  1.000  
118  118  Cg_endo   -71.7   153.6  Favored     ?     7  47.580     8  0.51    12  0.39  molprobity  1.000  
119  119  Cg_endo   -60.6   155.1  Favored     ?     7  44.050     8  0.36    11  0.59  molprobity  1.000  
120  120  p         -83.7   163.5  Favored     ?     7  38.960     7  0.40    10  0.21  molprobity  1.000  
121  121  ?         -58.7   135.5  Favored     ?     5  40.460     5  0.34     7  0.24  molprobity  1.000  
122  122  ?          98.1   -15.6  Favored     ?     3  36.070     4  0.65     5  0.89  molprobity  1.000  
123  123  m         -61.4   123.0  Favored     ?     7  29.810     7  0.41    10  0.65  molprobity  1.000  
124  124  mtt85     -73.9   126.5  Favored     ?    13  52.400    11  0.29    14  0.67  molprobity  1.000  
125  125  m        -134.9   168.2  Favored     ?     4  30.500     6  0.41     8  0.45  molprobity  1.000  
126  126  ptt85    -133.3   134.6  Favored     ?    13  42.810    11  0.33    14  0.72  molprobity  1.000  
127  127  p        -117.7   130.3  Favored     ?     9  25.130     7  0.58    10  0.83  molprobity  1.000  
128  128  ?        -122.7   156.4  Favored     ?     5  24.940     5  0.32     7  0.34  molprobity  1.000  
129  129  ?         171.0   179.7  Favored     ?     3  22.890     4  0.27     5  0.78  molprobity  1.000  
130  130  m-90     -117.2    25.5  Favored     ?    10  24.690    16  0.36    23  0.34  molprobity  1.000  
131  131  ?         -80.3   176.1  Favored     ?     3  24.760     4  0.31     5  0.48  molprobity  1.000  
132  132  m-85      -53.4   147.2  Favored     ?     9  29.010    12  0.64    16  0.54  molprobity  1.000  
133  133  m        -103.3    -2.8  Favored     ?     9  21.540     7  0.73    10  0.77  molprobity  1.000  
134  134  p        -153.9   179.2  Favored     ?     5  29.020     6  0.35     8  0.64  molprobity  1.000  
135  135  m-20      -86.7     1.7  Favored     ?     4  39.280     8  0.48    11  0.65  molprobity  1.000  
136  136  m-85     -105.3    24.9  Favored     ?     9  36.010    12  0.39    16  0.55  molprobity  1.000  
137  137  mt-10      55.0    31.9  Favored     ?     6  38.030     9  0.36    12  0.58  molprobity  1.000  
138  138  mt-10     -75.5   132.5  Favored     ?     6  45.950     9  0.30    12  0.49  molprobity  1.000  
139  139  mt        -87.6   148.3  Favored     ?    11  31.020     8  0.54    12  0.36  molprobity  1.000  
140  140  Cg_endo   -74.8   160.5  Favored     ?     7  29.400     8  0.62    12  0.41  molprobity  1.000  
141  141  Cg_endo   -73.5   -18.3  Favored     ?     7  32.630     8  0.40    11  0.60  molprobity  1.000  
142  142  ?        -178.1  -166.0  Favored     ?     3  29.810     4  0.29     5  0.51  molprobity  1.000  
143  143  tp        -62.2   112.2  Favored     ?    11  25.530     8  0.44    11  0.80  molprobity  1.000  
144  144  mmm       -92.4   164.5  Favored     ?     9  22.920     8  0.25    10  0.56  molprobity  1.000  
145  145  tt0      -151.1   132.7  Favored     ?     6  30.060     9  0.30    12  0.49  molprobity  1.000  
146  146  ?        -112.1   148.3  Favored     ?     5  25.200     5  0.32     7  0.49  molprobity  1.000  
147  147  mttt      -98.1   116.0  Favored     ?    13  41.690     9  0.32    11  0.73  molprobity  1.000  
148  148  m        -122.8   170.6  Favored     ?     9  29.680     7  0.42    10  0.51  molprobity  1.000  
149  149  mtt180   -129.7   138.0  Favored     ?    13  57.680    11  0.21    14  0.60  molprobity  1.000  
150  150  t         -60.5   132.7  Favored     ?     9  30.670     7  0.50    10  0.72  molprobity  1.000  
151  151  tp       -102.2   142.3  Favored     ?    11  31.190     8  0.37    11  0.73  molprobity  1.000  
152  152  t70       -48.9   130.2  Favored     ?     4  38.130     8  0.44    12  0.27  molprobity  1.000  
153  153  Cg_endo   -61.6   -33.6  Favored     ?     7  29.020     8  0.19    11  0.59  molprobity  1.000  
154  154  m-20      -71.5   -40.4  Favored     ?     4  32.360     8  0.40    11  0.56  molprobity  1.000  
155  155  t         -62.9   -42.5  Favored     ?     9  31.720     7  0.51    10  0.54  molprobity  1.000  
156  156  t         -66.2   -51.3  Favored     ?     4  32.270     6  0.35     8  0.44  molprobity  1.000  
157  157  t30       -56.9   -33.5  Favored     ?     5  36.000     8  0.28    11  0.58  molprobity  1.000  
158  158  t         -69.2   -46.5  Favored     ?     5  38.710     6  0.37     8  0.53  molprobity  1.000  
159  159  OUTLIER   -61.2   -36.1  Favored     ?     5  36.590     6  0.30     8  0.52  molprobity  1.000  
160  160  m95       -88.6    16.1  Favored     ?    10  27.630    16  0.46    23  0.56  molprobity  1.000  
161  161  mmtt       51.5    41.7  Favored     ?    13  55.000     9  0.67    11  0.81  molprobity  1.000  
162  162  ?          70.9    29.3  Favored     ?     3  38.830     4  0.27     5  0.71  molprobity  1.000  
163  163  m80      -101.9     7.0  Favored     ?     7  40.540    11  0.22    15  0.54  molprobity  1.000  
164  164  mp        -87.8   139.3  Favored     ?    11  36.880     8  0.33    11  0.54  molprobity  1.000  
165  165  p         -93.0   162.4  Favored     ?     7  29.940     7  0.16    10  0.56  molprobity  1.000  
166  166  mt        -63.3   -20.9  Favored     ?    11  32.170     8  0.50    11  0.85  molprobity  1.000  
167  167  p         -97.2    31.1  Favored     ?     7  26.110     7  0.52    10  0.49  molprobity  1.000  
168  168  mtt      -128.7   135.1  Favored     ?     9  22.730     8  0.43    10  0.67  molprobity  1.000  
169  169  pp       -116.4   161.4  Favored     ?    11  24.690     8  0.43    11  1.25  molprobity  1.000  
170  170  m        -128.0   154.8  Favored     ?     4  27.690     6  0.76     8  0.62  molprobity  1.000  
171  171  p        -124.5   166.1  Favored     ?     7  33.150     7  0.40    10  1.07  molprobity  1.000  
172  172  ptt85    -143.9   172.1  Favored     ?    13  44.390    11  0.44    14  0.59  molprobity  1.000  
173  173  t         -82.4   161.7  Favored     ?     5  38.310     6  0.26     8  0.35  molprobity  1.000  
174  174  ?         -81.9   -24.1  Favored     ?     3  42.470     4  0.19     5  0.61  molprobity  1.000  
175  175  p30      -128.4  -158.3  Allowed     ?     4  46.340     8  0.39    11  0.78  molprobity  1.000  
176  176  p         -77.3   -12.4  Favored     ?     5  49.810     6  0.44     8  0.45  molprobity  1.000  
177  177  m-70      -87.2   143.6  Favored     ?     7  44.090    11  0.31    15  0.46  molprobity  1.000  
178  178  mtt180    -66.6   120.8  Favored     ?    13  45.580    11  0.21    14  0.45  molprobity  1.000  
179  179  mtt-85   -139.0   130.5  Favored     ?    13  28.120    11  0.44    14  0.60  molprobity  1.000  
180  180  ?         163.6  -164.5  Favored     ?     3  27.220     4  0.47     5  0.53  molprobity  1.000  
181  181  p90       -85.3   178.9  Favored     ?     9  27.680    12  0.49    16  0.64  molprobity  1.000  
182  182  t        -155.2   179.5  Favored     ?     4  33.600     6  0.45     8  0.50  molprobity  1.000  
183  183  t         -49.6   131.2  Favored     ?     5  34.190     6  0.65     8  0.83  molprobity  1.000  
184  184  ?          81.8    10.2  Allowed     ?     5  21.770     5  0.65     7  1.42  molprobity  1.000  
185  185  m-20      -95.7    -7.4  Favored     ?     4  25.500     8  0.47    11  0.77  molprobity  1.000  
186  186  m         -52.5   136.3  Favored     ?     5  25.570     6  0.43     8  0.37  molprobity  1.000  
187  187  ?          90.6   -31.4  Favored     ?     3  23.660     4  0.23     5  0.62  molprobity  1.000  
188  188  ?         -64.1   145.2  Favored     ?     3  23.020     4  0.26     6  0.55  molprobity  1.000  
189  189  Cg_endo   -80.7   159.5  Favored     ?     7  24.600     8  0.24    11  1.05  molprobity  1.000  
190  190  tp       -104.9   115.2  Favored     ?    11  22.330     8  0.54    11  1.03  molprobity  1.000  
191  191  t         -98.2   118.5  Favored     ?     9  20.350     7  0.37    10  0.77  molprobity  1.000  
192  192  m        -123.8   128.6  Favored     ?     4  27.400     6  0.42     8  1.19  molprobity  1.000  
193  193  mtm105     45.0    47.6  Favored     ?    13  47.150    11  0.51    14  0.70  molprobity  1.000  
194  194  m-80       60.2    29.5  Favored     ?     6  37.840     8  0.37    11  0.76  molprobity  1.000  
195  195  mmt85    -136.7   141.6  Favored     ?    13  35.200    11  0.56    14  0.54  molprobity  1.000  
196  196  ?         -75.6    78.4  Favored     ?     5  21.880     5  0.35     7  0.34  molprobity  1.000  
197  197  m-70      -79.6   -26.7  Favored     ?     7  23.840    11  0.20    15  0.29  molprobity  1.000  
198  198  ?        -125.8   169.7  Favored     ?     3  19.420     4  0.21     5  0.79  molprobity  1.000  
199  199  tp       -149.6   122.5  Favored     ?    11  19.540     8  0.54    11  1.08  molprobity  1.000  
200  200  t         -54.6   121.2  Favored     ?     9  17.280     7  0.32    10  0.59  molprobity  1.000  
201  201  t        -116.3   -69.5  Allowed     ?     5  21.130     6  0.41     8  0.61  molprobity  1.000  
202  202  p90      -157.5   152.6  Favored     ?     9  26.510    12  0.41    16  0.88  molprobity  1.000  
203  203  t        -127.8  -164.6  Allowed     ?     5  32.100     6  0.51     8  0.82  molprobity  1.000  
204  204  ?         -99.1  -153.4  Favored     ?     3  32.540     4  0.43     5  0.55  molprobity  1.000  
205  205  mp        -76.0   -35.2  Favored     ?    11  35.960     8  0.69    11  1.22  molprobity  1.000  
206  206  m95      -108.0   119.4  Favored     ?    10  35.660    16  0.42    23  0.46  molprobity  1.000  
207  207  m         -61.9   125.6  Favored     ?     4  36.470     6  0.40     8  0.71  molprobity  1.000  
208  208  ?          75.7     9.8  Favored     ?     3  35.830     4  0.35     5  0.94  molprobity  1.000  
209  209  t0        -66.5   121.0  Favored     ?     4  42.460     8  0.71    12  0.82  molprobity  1.000  
210  210  Cg_endo   -70.3   -10.9  Favored     ?     7  37.180     8  0.60    11  0.62  molprobity  1.000  
211  211  mtmt      -73.0   -34.3  Favored     ?    13  50.620     9  0.41    11  0.74  molprobity  1.000  
212  212  p        -119.7    74.9  Favored     ?     7  35.410     7  0.79    11  0.55  molprobity  1.000  
213  213  Cg_exo    -58.2   154.2  Favored     ?     7  27.820     8  0.40    11  1.08  molprobity  1.000  
214  214  m-20      -64.2   117.5  Favored     ?     4  21.850     8  0.46    11  0.40  molprobity  1.000  
215  215  t        -102.8   127.4  Favored     ?     9  19.510     7  0.37    10  0.89  molprobity  1.000  
216  216  m-85     -118.5   153.5  Favored     ?     9  22.580    13  0.45    18  0.60  molprobity  1.000  
217  217  m         -77.0   128.0  Favored     ?     7  20.140     7  0.42    10  0.64  molprobity  1.000  
218  218  tt0       -74.2    99.7  Favored     1     8  29.940     9  0.40    12  0.81  molprobity  1.000  
219  219  t         -60.6   -39.2  Favored     ?     9  20.650     7  0.36    10  1.07  molprobity  1.000  
220  220  p         -51.4   -30.9  Favored     ?     5  28.000     6  0.64     8  0.88  molprobity  1.000  
221  221  ?         -72.0   -20.5  Favored     ?     5  23.800     5  0.46     7  0.59  molprobity  1.000  
222  222  m-85     -107.2     0.9  Favored     ?     9  24.390    12  0.41    16  0.57  molprobity  1.000  
223  223  t         -54.7   -47.0  Favored     ?     9  23.000     7  0.26    10  0.59  molprobity  1.000  
224  224  ?         -63.5   -46.1  Favored     ?     5  26.860     5  0.48     7  0.42  molprobity  1.000  
225  225  t90       -60.1   -52.4  Favored     ?    10  23.900    16  0.44    23  0.40  molprobity  1.000  
226  226  mt        -47.4   -53.5  Favored     ?    11  25.210     8  0.57    11  0.61  molprobity  1.000  
227  227  m95       -68.1   -30.6  Favored     ?    10  18.270    16  0.44    23  0.48  molprobity  1.000  
228  228  m-20      -63.3   -43.6  Favored     ?     4  28.870     8  0.45    11  0.47  molprobity  1.000  
229  229  t         -68.6   -37.0  Favored     ?     9  23.890     7  0.54    10  0.47  molprobity  1.000  
230  230  t         -66.9   -52.8  Favored     ?     9  27.440     7  0.28    10  1.04  molprobity  1.000  
231  231  OUTLIER   -52.3   -40.8  Favored     ?    13  49.250    11  0.51    14  0.85  molprobity  1.000  
232  232  OUTLIER   -55.4   -40.0  Favored     ?    13  46.790    11  0.57    14  0.72  molprobity  1.000  
233  233  m        -105.5    27.7  Favored     ?     5  39.940     6  0.38     8  0.29  molprobity  1.000  
234  234  m        -117.8   142.6  Favored     ?     5  45.790     6  0.52     9  0.47  molprobity  1.000  
235  235  Cg_exo        ?       ?  ?           ?     7  53.370     7  0.35     8  0.40  molprobity  1.000  
236  236  ?             ?       ?  ?           ?    12  38.010    14  0.35    17  0.98  mogul       1.000  
237  237  ?             ?       ?  ?           ?    10  43.920    10  0.49    14  0.81  mogul       1.000  
238  238  ?             ?       ?  ?           ?    13  60.260    14  0.29    17  0.91  mogul       1.000  
239  239  ?             ?       ?  ?           ?     ?  51.230     ?     ?     ?     ?  ?           1.000  
240  240  ?             ?       ?  ?           ?     ?  24.460     ?     ?     ?     ?  ?           1.000  
241  241  ?             ?       ?  ?           ?     ?  12.040     ?     ?     ?     ?  ?           1.000  
242  242  ?             ?       ?  ?           ?     ?  31.420     ?     ?     ?     ?  ?           1.000  
243  243  ?             ?       ?  ?           ?     ?  35.090     ?     ?     ?     ?  ?           1.000  
244  244  ?             ?       ?  ?           ?     ?  25.340     ?     ?     ?     ?  ?           1.000  
245  245  ?             ?       ?  ?           ?     ?  23.480     ?     ?     ?     ?  ?           1.000  
246  246  ?             ?       ?  ?           ?     ?  26.520     ?     ?     ?     ?  ?           1.000  
247  247  ?             ?       ?  ?           ?     ?  21.720     ?     ?     ?     ?  ?           1.000  
248  248  ?             ?       ?  ?           ?     ?  22.670     ?     ?     ?     ?  ?           1.000  
249  249  ?             ?       ?  ?           ?     ?  33.310     ?     ?     ?     ?  ?           1.000  
250  250  ?             ?       ?  ?           ?     ?  24.890     ?     ?     ?     ?  ?           1.000  
251  251  ?             ?       ?  ?           ?     ?  23.770     ?     ?     ?     ?  ?           1.000  
252  252  ?             ?       ?  ?           ?     ?  30.520     ?     ?     ?     ?  ?           1.000  
253  253  ?             ?       ?  ?           ?     ?  21.660     ?     ?     ?     ?  ?           1.000  
254  254  ?             ?       ?  ?           ?     ?  27.190     ?     ?     ?     ?  ?           1.000  
255  255  ?             ?       ?  ?           ?     ?  17.370     ?     ?     ?     ?  ?           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   14  HB2   1  0.45  2.31  
2   55  HG22  2  0.55  1.87  
3   70  HG22  2  0.55  1.87  
4  107  N     1  0.45  2.31  
#
loop_
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3
_pdbx_vrpt_instance_mogul_angle_outliers.obsval
_pdbx_vrpt_instance_mogul_angle_outliers.mean
_pdbx_vrpt_instance_mogul_angle_outliers.numobs
_pdbx_vrpt_instance_mogul_angle_outliers.stdev
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff
1  236  O5  C1  C2  106.87  111.29  25  1.58  -2.80  0.20  
2  236  C1  O5  C5  115.21  112.19  88  1.35   2.22  0.25  
3  238  C1  O5  C5  116.88  112.19  88  1.35   3.46  1.92  
#
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   8  0.963  0.147  -0.622  
  2    2   8  0.967  0.147  -0.622  
  3    3   4  0.968  0.141  -0.260  
  4    4   4  0.978  0.094  -0.884  
  5    5  17  0.938  0.185   0.157  
  6    6  17  0.938  0.185   0.157  
  7    7   9  0.965  0.130  -0.921  
  8    8   7  0.973  0.126  -0.814  
  9    9   7  0.974  0.110  -0.863  
 10   10   7  0.963  0.118  -0.704  
 11   11  10  0.956  0.125  -0.701  
 12   12   6  0.962  0.102  -0.887  
 13   13  11  0.952  0.126  -0.976  
 14   14   7  0.967  0.125  -0.603  
 15   15  12  0.976  0.120  -0.854  
 16   16   8  0.980  0.114  -0.867  
 17   17   5  0.980  0.091  -1.100  
 18   18   6  0.983  0.086  -1.110  
 19   19   7  0.978  0.183   0.022  
 20   20  11  0.933  0.154  -0.627  
 21   21  11  0.947  0.193   0.148  
 22   22   4  0.936  0.149  -0.154  
 23   23   4  0.881  0.148  -0.167  
 24   24   9  0.922  0.160  -0.438  
 25   25  10  0.984  0.129  -0.644  
 26   26  10  0.876  0.206   0.458  
 27   27   6  0.902  0.138  -0.149  
 28   28   4  0.981  0.100  -0.805  
 29   29   4  0.988  0.120  -0.539  
 30   30  11  0.967  0.129  -0.774  
 31   31   8  0.975  0.134  -0.818  
 32   32   8  0.966  0.145  -0.662  
 33   33  11  0.958  0.151  -0.665  
 34   34   5  0.975  0.195   0.405  
 35   35  11  0.944  0.194  -0.128  
 36   36  14  0.978  0.122  -0.761  
 37   37   7  0.970  0.126  -0.814  
 38   38   7  0.975  0.124  -0.843  
 39   39   6  0.989  0.083  -1.152  
 40   40   5  0.983  0.132  -0.507  
 41   41   5  0.973  0.142  -0.362  
 42   42  10  0.962  0.148  -0.372  
 43   43   6  0.935  0.099  -0.796  
 44   44  11  0.965  0.153  -0.428  
 45   45   6  0.934  0.117  -0.678  
 46   46  10  0.870  0.275   1.445  
 47   47  11  0.950  0.213   0.108  
 48   48   8  0.929  0.182   0.048  
 49   49   8  0.942  0.172  -0.279  
 50   50  11  0.873  0.351   1.829  
 51   51   7  0.958  0.135  -0.499  
 52   52   4  0.970  0.114  -0.619  
 53   53   8  0.955  0.183  -0.123  
 54   54   7  0.959  0.165  -0.242  
 55   55   7  0.969  0.177  -0.066  
 56   56   8  0.969  0.151  -0.577  
 57   57   4  0.981  0.132  -0.380  
 58   58   5  0.980  0.107  -0.868  
 59   59  10  0.984  0.083  -1.302  
 60   60   7  0.965  0.126  -0.814  
 61   61   8  0.973  0.143  -0.691  
 62   62   6  0.971  0.107  -0.818  
 63   63   7  0.974  0.143  -0.382  
 64   64   5  0.964  0.178   0.159  
 65   65   9  0.967  0.131  -0.909  
 66   66   7  0.980  0.115  -0.747  
 67   67   7  0.966  0.121  -0.703  
 68   68   9  0.970  0.123  -0.902  
 69   69   9  0.957  0.139  -0.701  
 70   70   7  0.973  0.160  -0.315  
 71   71  11  0.962  0.134  -0.702  
 72   72   4  0.961  0.081  -1.057  
 73   73   8  0.977  0.141  -0.711  
 74   74   8  0.935  0.137  -0.553  
 75   75   5  0.967  0.119  -0.695  
 76   76   8  0.981  0.133  -0.833  
 77   77   7  0.975  0.144  -0.367  
 78   78   7  0.961  0.178   0.128  
 79   79  10  0.976  0.101  -1.044  
 80   80   7  0.971  0.121  -0.660  
 81   81   8  0.968  0.094  -1.127  
 82   82  12  0.965  0.151  -0.381  
 83   83  10  0.979  0.120  -0.773  
 84   84   7  0.975  0.147  -0.286  
 85   85   8  0.836  0.222   0.733  
 86   86   7  0.955  0.143  -0.382  
 87   87  10  0.954  0.136  -0.544  
 88   88   5  0.987  0.134  -0.478  
 89   89   8  0.964  0.138  -0.529  
 90   90   8  0.963  0.144  -0.459  
 91   91   8  0.982  0.141  -0.711  
 92   92   6  0.987  0.129  -0.299  
 93   93   8  0.963  0.141  -0.719  
 94   94   8  0.961  0.132  -0.847  
 95   95  11  0.974  0.173  -0.390  
 96   96   8  0.977  0.135  -0.804  
 97   97   8  0.947  0.129  -0.652  
 98   98   4  0.977  0.198   0.497  
 99   99   6  0.957  0.125  -0.567  
100  100   5  0.932  0.163  -0.058  
101  101   7  0.974  0.166  -0.227  
102  102   8  0.963  0.189  -0.038  
103  103   4  0.978  0.107  -0.712  
104  104   7  0.973  0.123  -0.632  
105  105   5  0.955  0.156  -0.159  
106  106   7  0.953  0.126  -0.814  
107  107   4  0.979  0.137  -0.313  
108  108   8  0.968  0.153  -0.549  
109  109   8  0.979  0.110  -1.159  
110  110  11  0.952  0.148  -0.702  
111  111   8  0.967  0.149  -0.606  
112  112   7  0.952  0.167   0.001  
113  113   4  0.945  0.146  -0.194  
114  114  11  0.915  0.147  -0.714  
115  115  11  0.775  0.281   0.956  
116  116   5  0.948  0.134  -0.478  
117  117  11  0.886  0.250   0.570  
118  118   7  0.954  0.173   0.088  
119  119   7  0.969  0.147  -0.286  
120  120   7  0.945  0.125  -0.644  
121  121   5  0.938  0.128  -0.564  
122  122   4  0.961  0.127  -0.446  
123  123   7  0.967  0.103  -0.965  
124  124  11  0.929  0.207   0.034  
125  125   6  0.886  0.115  -0.531  
126  126  11  0.958  0.150  -0.677  
127  127   7  0.974  0.117  -0.946  
128  128   5  0.968  0.134  -0.478  
129  129   4  0.973  0.137  -0.313  
130  130  14  0.965  0.139  -0.505  
131  131   4  0.982  0.116  -0.592  
132  132  11  0.971  0.113  -1.004  
133  133   7  0.981  0.131  -0.740  
134  134   6  0.971  0.119  -0.650  
135  135   8  0.903  0.147  -0.419  
136  136  11  0.963  0.101  -1.177  
137  137   9  0.954  0.125  -0.981  
138  138   9  0.977  0.138  -0.824  
139  139   8  0.960  0.158  -0.478  
140  140   7  0.970  0.127  -0.574  
141  141   7  0.978  0.167   0.001  
142  142   4  0.984  0.094  -0.884  
143  143   8  0.982  0.129  -0.889  
144  144   8  0.978  0.101  -1.059  
145  145   9  0.961  0.115  -1.101  
146  146   5  0.969  0.120  -0.680  
147  147   9  0.961  0.126  -1.078  
148  148   7  0.955  0.182   0.007  
149  149  11  0.931  0.190  -0.178  
150  150   7  0.970  0.176  -0.081  
151  151   8  0.957  0.185  -0.095  
152  152   8  0.949  0.109  -0.927  
153  153   7  0.976  0.135  -0.459  
154  154   8  0.957  0.139  -0.526  
155  155   7  0.952  0.179  -0.037  
156  156   6  0.972  0.108  -0.647  
157  157   8  0.969  0.107  -0.955  
158  158   6  0.934  0.144  -0.302  
159  159   6  0.962  0.115  -0.706  
160  160  14  0.957  0.169  -0.054  
161  161   9  0.938  0.309   1.009  
162  162   4  0.971  0.080  -1.070  
163  163  10  0.956  0.130  -0.629  
164  164   8  0.962  0.173  -0.265  
165  165   7  0.974  0.131  -0.557  
166  166   8  0.942  0.169  -0.322  
167  167   7  0.969  0.153  -0.236  
168  168   8  0.975  0.115  -0.852  
169  169   8  0.968  0.187  -0.067  
170  170   6  0.976  0.089  -0.962  
171  171   7  0.966  0.103  -0.965  
172  172  11  0.938  0.139  -0.814  
173  173   6  0.975  0.121  -0.623  
174  174   4  0.969  0.186   0.337  
175  175   8  0.935  0.106  -0.967  
176  176   6  0.928  0.116  -0.692  
177  177  10  0.947  0.201   0.386  
178  178  11  0.954  0.191  -0.166  
179  179  11  0.969  0.125  -0.989  
180  180   4  0.964  0.135  -0.340  
181  181  11  0.981  0.123  -0.860  
182  182   6  0.977  0.107  -0.663  
183  183   6  0.875  0.189   0.325  
184  184   5  0.958  0.170   0.043  
185  185   8  0.981  0.092  -1.154  
186  186   6  0.970  0.162  -0.052  
187  187   4  0.980  0.153  -0.101  
188  188   4  0.988  0.108  -0.699  
189  189   7  0.982  0.115  -0.747  
190  190   8  0.973  0.119  -1.031  
191  191   7  0.974  0.120  -0.902  
192  192   6  0.921  0.151   0.066  
193  193  11  0.929  0.286   1.019  
194  194   8  0.950  0.166  -0.144  
195  195  11  0.955  0.126  -0.976  
196  196   5  0.983  0.110  -0.825  
197  197  10  0.967  0.109  -0.930  
198  198   4  0.973  0.113  -0.632  
199  199   8  0.976  0.145  -0.662  
200  200   7  0.973  0.106  -1.107  
201  201   6  0.978  0.093  -1.013  
202  202  11  0.972  0.138  -0.644  
203  203   6  0.944  0.142  -0.330  
204  204   4  0.965  0.235   0.988  
205  205   8  0.915  0.231   0.557  
206  206  14  0.956  0.147  -0.385  
207  207   6  0.970  0.108  -0.647  
208  208   4  0.969  0.118  -0.566  
209  209   8  0.954  0.189   0.142  
210  210   7  0.941  0.137  -0.430  
211  211   9  0.945  0.276   0.633  
212  212   7  0.962  0.129  -0.586  
213  213   7  0.973  0.136  -0.445  
214  214   8  0.981  0.079  -1.327  
215  215   7  0.973  0.115  -0.975  
216  216  12  0.958  0.126  -0.762  
217  217   7  0.978  0.104  -0.950  
218  218   9  0.970  0.122  -0.915  
219  219   7  0.973  0.156  -0.374  
220  220   6  0.966  0.124  -0.581  
221  221   5  0.976  0.115  -0.753  
222  222  11  0.980  0.134  -0.702  
223  223   7  0.975  0.180  -0.022  
224  224   5  0.979  0.139  -0.405  
225  225  14  0.966  0.136  -0.550  
226  226   8  0.966  0.172  -0.252  
227  227  14  0.949  0.136  -0.550  
228  228   8  0.964  0.130  -0.646  
229  229   7  0.976  0.112  -1.019  
230  230   7  0.979  0.143  -0.565  
231  231  11  0.931  0.164  -0.502  
232  232  11  0.950  0.176  -0.353  
233  233   6  0.965  0.137  -0.400  
234  234   6  0.937  0.100  -0.915  
235  235   7  0.919  0.178   0.160  
236  236  14  0.955  0.117       ?  
237  237  10  0.934  0.162       ?  
238  238  14  0.804  0.172       ?  
239  239   1  0.939  0.208       ?  
240  240   1  0.979  0.185       ?  
241  241   1  0.949  0.089       ?  
242  242   1  0.853  0.240       ?  
243  243   1  0.895  0.205       ?  
244  244   1  0.865  0.167       ?  
245  245   1  0.887  0.124       ?  
246  246   1  0.987  0.253       ?  
247  247   1  0.875  0.179       ?  
248  248   1  0.952  0.156       ?  
249  249   1  0.769  0.190       ?  
250  250   1  0.930  0.207       ?  
251  251   1  0.951  0.235       ?  
252  252   1  0.867  0.340       ?  
253  253   1  0.856  0.174       ?  
254  254   1  0.934  0.156       ?  
255  255   1  0.924  0.310       ?  
#
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        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.35.1                                                                Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
