data_2O6W

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  2O6W
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2O6W
_pdbx_vrpt_summary.PDB_deposition_date         2006-12-08
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-12-27
_pdbx_vrpt_summary.report_creation_date        2023-12-16:23:46
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "Repeat Five Residue (Rfr) protein or pentapeptide repeat protein"  
2  non-polymer  ARSENIC  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.4  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  34.03  141614     ?     ?  
 2  2  1  48.09    4398  2.40  2.40  
 3  1  2  21.91  138981     ?     ?  
 4  2  2  32.19    4318  2.40  2.40  
 5  1  3  48.54  138945     ?     ?  
 6  2  3  68.30    4319  2.40  2.40  
 7  1  4  52.61  127900     ?     ?  
 8  2  4  50.88    3811  2.40  2.40  
 9  1  5  84.49  130704     ?     ?  
10  2  5  97.18    3907  2.40  2.40  
#
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  21.91  
2  4  2  A  1  1  A  32.19  
3  5  3  A  1  1  A  48.54  
4  6  3  A  1  1  A  68.30  
5  7  4  A  1  1  A  52.61  
6  8  4  A  1  1  A  50.88  
#
_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      0.53
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.33
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1138
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1541
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.70
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.40
_pdbx_vrpt_summary_geometry.clashscore                     8.44
_pdbx_vrpt_summary_geometry.num_H_reduce                   1121
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1138
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.33
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1541
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.53
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            43.040
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         31.955
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.37(2.03A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        16257
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.376
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.497
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.328
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.958
_pdbx_vrpt_summary_diffraction.twin_fraction             -k,-h,-l:0.017
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.20
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.03
_pdbx_vrpt_summary_diffraction.EDS_res_low               47.02
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[28.263,28.263,56.335,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.746
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 10.17% 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         5
_pdbx_vrpt_summary_diffraction.centric_outliers          3
_pdbx_vrpt_summary_diffraction.data_completeness         85.33
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      827
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.09
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.76
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.40
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        30.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.25
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  ALA  A   25  .  ?        ?  
  2  1  1  A    2  MSE  A   26  .  ?        ?  
  3  1  1  A    3  THR  A   27  .  ?        1  
  4  1  1  A    4  ASN  A   28  .  ?        1  
  5  1  1  A    5  ASN  A   29  .  ?        ?  
  6  1  1  A    6  LEU  A   30  .  ?        ?  
  7  1  1  A    7  TYR  A   31  .  ?        1  
  8  1  1  A    8  ARG  A   32  .  ?        ?  
  9  1  1  A    9  LEU  A   33  .  ?        ?  
 10  1  1  A   10  GLU  A   34  .  ?        ?  
 11  1  1  A   11  LEU  A   35  .  ?        1  
 12  1  1  A   12  GLU  A   36  .  ?        ?  
 13  1  1  A   13  ARG  A   37  .  ?        ?  
 14  1  1  A   14  GLU  A   38  .  ?        ?  
 15  1  1  A   15  CYS  A   39  .  ?        ?  
 16  1  1  A   16  VAL  A   40  .  ?        ?  
 17  1  1  A   17  GLY  A   41  .  ?        ?  
 18  1  1  A   18  CYS  A   42  .  ?        ?  
 19  1  1  A   19  ASN  A   43  .  ?        ?  
 20  1  1  A   20  LEU  A   44  .  ?        ?  
 21  1  1  A   21  GLU  A   45  .  ?        2  
 22  1  1  A   22  GLY  A   46  .  ?        ?  
 23  1  1  A   23  VAL  A   47  .  ?        ?  
 24  1  1  A   24  ASN  A   48  .  ?        ?  
 25  1  1  A   25  LEU  A   49  .  ?        ?  
 26  1  1  A   26  PRO  A   50  .  ?        ?  
 27  1  1  A   27  ARG  A   51  .  ?        ?  
 28  1  1  A   28  GLU  A   52  .  ?        ?  
 29  1  1  A   29  ASN  A   53  .  ?        ?  
 30  1  1  A   30  PHE  A   54  .  ?        ?  
 31  1  1  A   31  GLY  A   55  .  ?        ?  
 32  1  1  A   32  LEU  A   56  .  ?        ?  
 33  1  1  A   33  LYS  A   57  .  ?        ?  
 34  1  1  A   34  TYR  A   58  .  ?        ?  
 35  1  1  A   35  ARG  A   59  .  ?        1  
 36  1  1  A   36  ILE  A   60  .  ?        2  
 37  1  1  A   37  PRO  A   61  .  ?        ?  
 38  1  1  A   41  SER  A   65  .  ?        1  
 39  1  1  A   42  PRO  A   66  .  ?        ?  
 40  1  1  A   43  LEU  A   67  .  ?        ?  
 41  1  1  A   44  VAL  A   68  .  ?        1  
 42  1  1  A   45  THR  A   69  .  ?        2  
 43  1  1  A   46  THR  A   70  .  ?        ?  
 44  1  1  A   47  PRO  A   71  .  ?        ?  
 45  1  1  A   48  PHE  A   72  .  ?        ?  
 46  1  1  A   49  GLY  A   73  .  ?        ?  
 47  1  1  A   50  MSE  A   74  .  ?        1  
 48  1  1  A   51  ASP  A   75  .  ?        ?  
 49  1  1  A   52  LYS  A   76  .  ?        6  
 50  1  1  A   53  ALA  A   77  .  ?        ?  
 51  1  1  A   54  LYS  A   78  .  ?        ?  
 52  1  1  A   55  PRO  A   79  .  ?        ?  
 53  1  1  A   56  VAL  A   80  .  ?        ?  
 54  1  1  A   57  ASP  A   81  .  ?        ?  
 55  1  1  A   58  LEU  A   82  .  ?        1  
 56  1  1  A   59  THR  A   83  .  ?        1  
 57  1  1  A   60  ARG  A   84  .  ?        1  
 58  1  1  A   61  ALA  A   85  .  ?        ?  
 59  1  1  A   62  ASN  A   86  .  ?        ?  
 60  1  1  A   63  LEU  A   87  .  ?        2  
 61  1  1  A   64  SER  A   88  .  ?        ?  
 62  1  1  A   65  ASN  A   89  .  ?        1  
 63  1  1  A   66  ALA  A   90  .  ?        ?  
 64  1  1  A   67  ASN  A   91  .  ?        ?  
 65  1  1  A   68  LEU  A   92  .  ?        ?  
 66  1  1  A   69  TYR  A   93  .  ?        ?  
 67  1  1  A   70  GLN  A   94  .  ?        ?  
 68  1  1  A   71  SER  A   95  .  ?        ?  
 69  1  1  A   72  ASP  A   96  .  ?        ?  
 70  1  1  A   73  LEU  A   97  .  ?        ?  
 71  1  1  A   74  SER  A   98  .  ?        ?  
 72  1  1  A   75  SER  A   99  .  ?        ?  
 73  1  1  A   76  ILE  A  100  .  ?        1  
 74  1  1  A   77  ILE  A  101  .  ?        ?  
 75  1  1  A   78  LEU  A  102  .  ?        ?  
 76  1  1  A   79  GLU  A  103  .  ?        ?  
 77  1  1  A   80  ASN  A  104  .  ?        ?  
 78  1  1  A   81  ALA  A  105  .  ?        ?  
 79  1  1  A   82  ILE  A  106  .  ?        ?  
 80  1  1  A   83  LEU  A  107  .  ?        2  
 81  1  1  A   84  VAL  A  108  .  ?        ?  
 82  1  1  A   85  GLU  A  109  .  ?        ?  
 83  1  1  A   86  THR  A  110  .  ?        ?  
 84  1  1  A   87  ASN  A  111  .  ?        ?  
 85  1  1  A   88  LEU  A  112  .  ?        ?  
 86  1  1  A   89  SER  A  113  .  ?        ?  
 87  1  1  A   90  GLU  A  114  .  ?        ?  
 88  1  1  A   91  THR  A  115  .  ?        ?  
 89  1  1  A   92  ASP  A  116  .  ?        ?  
 90  1  1  A   93  LEU  A  117  .  ?        ?  
 91  1  1  A   94  GLU  A  118  .  ?        ?  
 92  1  1  A   95  ASN  A  119  .  ?        ?  
 93  1  1  A   96  ALA  A  120  .  ?        ?  
 94  1  1  A   97  ILE  A  121  .  ?        ?  
 95  1  1  A   98  LEU  A  122  .  ?        ?  
 96  1  1  A   99  ILE  A  123  .  ?        ?  
 97  1  1  A  100  GLY  A  124  .  ?        ?  
 98  1  1  A  101  ALA  A  125  .  ?        ?  
 99  1  1  A  102  ASN  A  126  .  ?        ?  
100  1  1  A  103  LEU  A  127  .  ?        ?  
101  1  1  A  104  GLN  A  128  .  ?        ?  
102  1  1  A  105  GLY  A  129  .  ?        ?  
103  1  1  A  106  ALA  A  130  .  ?        ?  
104  1  1  A  107  ASN  A  131  .  ?        ?  
105  1  1  A  108  LEU  A  132  .  ?        ?  
106  1  1  A  109  GLU  A  133  .  ?        ?  
107  1  1  A  110  ASN  A  134  .  ?        ?  
108  1  1  A  111  ALA  A  135  .  ?        ?  
109  1  1  A  112  ASN  A  136  .  ?        ?  
110  1  1  A  113  LEU  A  137  .  ?        ?  
111  1  1  A  114  GLN  A  138  .  ?        ?  
112  1  1  A  115  GLY  A  139  .  ?        ?  
113  1  1  A  116  ALA  A  140  .  ?        ?  
114  1  1  A  117  ASN  A  141  .  ?        1  
115  1  1  A  118  LEU  A  142  .  ?        1  
116  1  1  A  119  GLU  A  143  .  ?        ?  
117  1  1  A  120  ASN  A  144  .  ?        ?  
118  1  1  A  121  ALA  A  145  .  ?        ?  
119  1  1  A  122  ASN  A  146  .  ?        ?  
120  1  1  A  123  LEU  A  147  .  ?        ?  
121  1  1  A  124  ARG  A  148  .  ?        ?  
122  1  1  A  125  GLY  A  149  .  ?        ?  
123  1  1  A  126  ALA  A  150  .  ?        ?  
124  1  1  A  127  ILE  A  151  .  ?        3  
125  1  1  A  128  LEU  A  152  .  ?        ?  
126  1  1  A  129  THR  A  153  .  ?        1  
127  1  1  A  130  GLY  A  154  .  ?        ?  
128  1  1  A  131  VAL  A  155  .  ?        ?  
129  1  1  A  132  ASN  A  156  .  ?        ?  
130  1  1  A  133  LEU  A  157  .  ?        ?  
131  1  1  A  134  GLU  A  158  .  ?        ?  
132  1  1  A  135  GLU  A  159  .  ?        ?  
133  1  1  A  136  THR  A  160  .  ?        ?  
134  1  1  A  137  HIS  A  161  .  ?        ?  
135  1  1  A  138  LEU  A  162  .  ?        ?  
136  1  1  A  139  LYS  A  163  .  ?        ?  
137  1  1  A  140  GLY  A  164  .  ?        ?  
138  1  1  A  141  ILE  A  165  .  ?        ?  
139  1  1  A  142  GLU  A  166  .  ?        ?  
140  1  1  A  143  THR  A  167  .  ?        1  
141  1  1  A  144  ASP  A  168  .  ?        ?  
142  1  1  A  145  LYS  A  169  .  ?        ?  
143  1  1  A  146  ASN  A  170  .  ?        ?  
144  1  1  A  147  THR  A  171  .  ?        ?  
145  1  1  A  148  VAL  A  172  .  ?        ?  
146  1  1  A  149  TRP  A  173  .  ?        ?  
147  1  1  A  150  ASP  A  174  .  ?        ?  
148  1  2  B    .  ARS  A    1  .  ?        1  
149  1  3  C    .  HOH  A  175  .  ?        ?  
150  1  3  C    .  HOH  A  176  .  ?        ?  
151  1  3  C    .  HOH  A  177  .  ?        ?  
152  1  3  C    .  HOH  A  178  .  ?        ?  
153  1  3  C    .  HOH  A  179  .  ?        ?  
154  1  3  C    .  HOH  A  180  .  ?        ?  
155  1  3  C    .  HOH  A  181  .  ?        ?  
156  1  3  C    .  HOH  A  182  .  ?        ?  
157  1  3  C    .  HOH  A  183  .  ?        ?  
158  1  3  C    .  HOH  A  184  .  ?        ?  
159  1  3  C    .  HOH  A  185  .  ?        ?  
160  1  3  C    .  HOH  A  186  .  ?        ?  
161  1  3  C    .  HOH  A  187  .  ?        ?  
162  1  3  C    .  HOH  A  188  .  ?        ?  
163  1  3  C    .  HOH  A  189  .  ?        ?  
164  1  3  C    .  HOH  A  190  .  ?        ?  
165  1  3  C    .  HOH  A  191  .  ?        ?  
166  1  3  C    .  HOH  A  192  .  ?        ?  
167  1  3  C    .  HOH  A  193  .  ?        1  
168  1  3  C    .  HOH  A  194  .  ?        ?  
169  1  3  C    .  HOH  A  195  .  ?        ?  
170  1  3  C    .  HOH  A  196  .  ?        ?  
171  1  3  C    .  HOH  A  197  .  ?        ?  
172  1  3  C    .  HOH  A  198  .  ?        ?  
173  1  3  C    .  HOH  A  199  .  ?        ?  
174  1  3  C    .  HOH  A  200  .  ?        ?  
175  1  3  C    .  HOH  A  201  .  ?        ?  
176  1  3  C    .  HOH  A  202  .  ?        ?  
177  1  3  C    .  HOH  A  203  .  ?        ?  
178  1  3  C    .  HOH  A  204  .  ?        ?  
179  1  3  C    .  HOH  A  205  .  ?        ?  
180  1  3  C    .  HOH  A  206  .  ?        ?  
181  1  3  C    .  HOH  A  207  .  ?        ?  
182  1  3  C    .  HOH  A  208  .  ?        ?  
183  1  3  C    .  HOH  A  209  .  ?        ?  
184  1  3  C    .  HOH  A  210  .  ?        ?  
185  1  3  C    .  HOH  A  211  .  ?        ?  
186  1  3  C    .  HOH  A  212  .  ?        ?  
187  1  3  C    .  HOH  A  213  .  ?        ?  
188  1  3  C    .  HOH  A  214  .  ?        ?  
189  1  3  C    .  HOH  A  215  .  ?        ?  
190  1  3  C    .  HOH  A  216  .  ?        ?  
191  1  3  C    .  HOH  A  217  .  ?        ?  
192  1  3  C    .  HOH  A  218  .  ?        ?  
193  1  3  C    .  HOH  A  219  .  ?        ?  
194  1  3  C    .  HOH  A  220  .  ?        ?  
195  1  3  C    .  HOH  A  221  .  ?        ?  
196  1  3  C    .  HOH  A  222  .  ?        ?  
197  1  3  C    .  HOH  A  223  .  ?        ?  
198  1  3  C    .  HOH  A  224  .  ?        ?  
199  1  3  C    .  HOH  A  225  .  ?        ?  
200  1  3  C    .  HOH  A  226  .  ?        ?  
201  1  3  C    .  HOH  A  227  .  ?        ?  
202  1  3  C    .  HOH  A  228  .  ?        ?  
203  1  3  C    .  HOH  A  229  .  ?        ?  
204  1  3  C    .  HOH  A  230  .  ?        ?  
205  1  3  C    .  HOH  A  231  .  ?        ?  
206  1  3  C    .  HOH  A  232  .  ?        ?  
207  1  3  C    .  HOH  A  233  .  ?        ?  
208  1  3  C    .  HOH  A  234  .  ?        ?  
209  1  3  C    .  HOH  A  235  .  ?        ?  
210  1  3  C    .  HOH  A  236  .  ?        ?  
#
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  ?             ?       ?  ?           ?     4  36.650     4  0.73     4  0.30  molprobity  1.000  
  2    2  tpp       -54.7   -40.6  Favored     ?     9  46.420     8  0.27    10  0.40  molprobity  1.000  
  3    3  t         -56.7   -41.9  Favored     ?     7  41.010     7  0.35    10  0.51  molprobity  1.000  
  4    4  t-20      -68.9   -37.1  Favored     ?     6  41.690     8  0.36    11  0.24  molprobity  1.000  
  5    5  m-20      -64.6   -44.8  Favored     ?     6  40.980     8  0.22    11  0.33  molprobity  1.000  
  6    6  mt        -61.6   -34.0  Favored     ?    11  40.950     8  0.22    11  0.38  molprobity  1.000  
  7    7  t80       -70.7   -43.3  Favored     ?     9  51.980    13  0.37    18  0.35  molprobity  1.000  
  8    8  mtp180    -62.2   -34.2  Favored     ?    13  46.590    11  0.25    14  0.43  molprobity  1.000  
  9    9  mt        -70.7   -48.2  Favored     ?    11  51.320     8  0.26    11  0.96  molprobity  1.000  
 10   10  tp10      -70.3   -43.0  Favored     ?     6  61.470     9  0.23    12  0.35  molprobity  1.000  
 11   11  tp        -92.6   -55.4  Favored     ?    11  57.890     8  0.23    11  0.71  molprobity  1.000  
 12   12  mm-40     -78.6    -9.7  Favored     ?     6  57.040     9  0.22    12  0.53  molprobity  1.000  
 13   13  mmm180     57.4    40.4  Favored     ?    13  43.430    11  0.44    14  0.53  molprobity  1.000  
 14   14  pp20?    -162.0   167.8  Favored     ?     6  42.100     9  0.45    12  0.46  molprobity  1.000  
 15   15  OUTLIER  -174.7    50.5  OUTLIER     ?     4  41.060     6  0.24     8  0.71  molprobity  1.000  
 16   16  t         -57.0   130.6  Favored     ?     9  38.030     7  0.31    10  0.49  molprobity  1.000  
 17   17  ?          66.2     3.3  Favored     ?     3  37.240     4  0.33     5  0.75  molprobity  1.000  
 18   18  m         -62.3   154.5  Favored     ?     4  42.220     6  0.40     8  0.80  molprobity  1.000  
 19   19  m-20     -104.4   103.8  Favored     1     6  45.140     8  0.38    11  0.70  molprobity  1.000  
 20   20  mt       -120.8    32.8  Favored     ?    11  38.090     8  0.26    11  0.43  molprobity  1.000  
 21   21  mp0       -59.0   131.0  Favored     ?     6  45.280     9  0.63    12  0.68  molprobity  1.000  
 22   22  ?          68.6     9.1  Favored     ?     3  31.810     4  0.32     5  1.31  molprobity  1.000  
 23   23  m         -68.3   154.5  Favored     ?     9  31.630     7  0.33    10  0.83  molprobity  1.000  
 24   24  t30      -109.2    94.8  Favored     ?     6  34.500     8  0.25    11  0.38  molprobity  1.000  
 25   25  mt       -125.6    53.9  Favored     ?    11  30.530     8  0.26    12  0.46  molprobity  1.000  
 26   26  Cg_endo   -75.9   155.8  Favored     ?     7  30.170     8  0.28    11  0.57  molprobity  1.000  
 27   27  mtt180     53.5    39.1  Favored     ?    13  31.790    11  0.29    14  0.81  molprobity  1.000  
 28   28  mm-40    -103.4   166.3  Favored     ?     6  39.640     9  0.48    12  0.46  molprobity  1.000  
 29   29  t30      -118.1    99.0  Favored     ?     6  35.970     8  0.32    11  0.34  molprobity  1.000  
 30   30  m-85     -115.1    27.7  Favored     ?     9  39.790    12  0.60    16  0.54  molprobity  1.000  
 31   31  ?        -110.5  -177.8  Favored     ?     3  39.890     4  0.20     5  0.63  molprobity  1.000  
 32   32  mt       -109.5    17.5  Favored     ?    11  44.390     8  0.25    11  0.67  molprobity  1.000  
 33   33  mttt      -92.6   -43.9  Favored     ?    13  42.910     9  0.35    11  0.49  molprobity  1.000  
 34   34  m-85     -133.3   177.0  Favored     ?     9  46.530    13  0.60    18  0.58  molprobity  1.000  
 35   35  ptt85    -154.9   144.3  Favored     ?    13  63.730    11  0.28    14  0.51  molprobity  1.000  
 36   36  mp       -113.5   102.5  Favored     ?    11  62.580     8  0.36    12  0.76  molprobity  1.000  
 37   37  Cg_endo       ?       ?  ?           ?     7  66.840     7  0.25     8  0.64  molprobity  1.000  
 38   38  p             ?       ?  ?           ?     4  72.270     6  0.35     9  0.44  molprobity  1.000  
 39   39  Cg_endo   -71.1     7.0  Allowed     ?     7  72.250     8  0.17    11  0.57  molprobity  1.000  
 40   40  mt       -103.9    -0.8  Favored     ?    11  72.750     8  0.25    11  0.48  molprobity  1.000  
 41   41  t         -79.1     7.0  Allowed     ?     9  77.650     7  0.23    10  0.56  molprobity  1.000  
 42   42  t         -51.1   124.6  Favored     ?     7  76.430     7  0.27    10  0.60  molprobity  1.000  
 43   43  t        -145.6   143.6  Favored     ?     7  76.010     7  0.29    11  0.71  molprobity  1.000  
 44   44  Cg_endo   -81.1   -26.1  Favored     ?     7  78.790     8  0.22    11  0.54  molprobity  1.000  
 45   45  m-85      -62.7   136.8  Favored     ?     9  90.270    12  0.65    16  0.29  molprobity  1.000  
 46   46  ?          98.0     6.0  Favored     ?     3  91.880     3  0.19     2  0.55  molprobity  1.000  
 47   47  mmm      -103.6     0.3  Favored     ?     9  97.430     8  0.21    10  0.38  molprobity  1.000  
 48   48  p-10      -54.9   -34.7  Favored     ?     4  88.950     8  0.24    11  0.28  molprobity  1.000  
 49   49  OUTLIER  -121.0    76.0  Allowed     ?    13  80.070     9  0.47    11  0.63  molprobity  1.000  
 50   50  ?        -141.7   143.0  Favored     ?     5  65.840     5  0.17     7  0.30  molprobity  1.000  
 51   51  ptmt      -94.2   148.1  Favored     ?    13  58.840     9  0.43    12  0.49  molprobity  1.000  
 52   52  Cg_endo   -75.0   143.8  Favored     ?     7  44.510     8  0.22    11  0.45  molprobity  1.000  
 53   53  t         -64.0   132.5  Favored     ?     9  34.970     7  0.22    10  0.48  molprobity  1.000  
 54   54  t0       -104.5   111.2  Favored     ?     4  38.450     8  0.27    11  0.40  molprobity  1.000  
 55   55  mt       -121.6    36.3  Favored     ?    11  34.260     8  0.32    11  0.50  molprobity  1.000  
 56   56  m         -57.5   135.6  Favored     ?     7  30.620     7  0.40    10  0.81  molprobity  1.000  
 57   57  mtm-85     55.6    15.7  Allowed     ?    13  39.530    11  0.35    14  0.54  molprobity  1.000  
 58   58  ?         -75.2   153.5  Favored     ?     5  33.880     5  0.20     7  0.26  molprobity  1.000  
 59   59  t-20     -111.2   113.3  Favored     ?     6  35.490     8  0.36    11  0.58  molprobity  1.000  
 60   60  mt       -119.1    17.3  Favored     ?    11  32.720     8  0.29    11  0.49  molprobity  1.000  
 61   61  m         -45.8   128.7  Favored     ?     5  33.290     6  0.32     8  0.56  molprobity  1.000  
 62   62  m-80       63.9    13.5  Favored     ?     6  34.360     8  0.23    11  0.47  molprobity  1.000  
 63   63  ?         -81.3   158.5  Favored     ?     5  28.550     5  0.26     7  0.44  molprobity  1.000  
 64   64  t30      -108.9   112.5  Favored     ?     6  28.060     8  0.27    11  0.41  molprobity  1.000  
 65   65  mt       -119.2    20.5  Favored     ?    11  25.730     8  0.23    11  0.63  molprobity  1.000  
 66   66  t80       -41.0   127.7  Favored     ?     9  32.710    13  0.27    18  0.41  molprobity  1.000  
 67   67  mt-30      55.8    23.7  Favored     ?     8  29.830     9  0.35    12  0.65  molprobity  1.000  
 68   68  m         -86.6   149.8  Favored     ?     5  29.130     6  0.23     8  0.25  molprobity  1.000  
 69   69  t0        -91.1   121.6  Favored     ?     4  31.860     8  0.46    11  0.71  molprobity  1.000  
 70   70  mt       -128.2    25.9  Favored     ?    11  28.430     8  0.31    11  0.42  molprobity  1.000  
 71   71  p         -55.9   130.4  Favored     ?     5  32.970     6  0.51     8  0.55  molprobity  1.000  
 72   72  m          63.5    15.7  Favored     ?     5  33.820     6  0.28     8  0.46  molprobity  1.000  
 73   73  tt        -68.9   153.4  Favored     ?    11  31.400     8  0.25    11  0.59  molprobity  1.000  
 74   74  mt       -107.2   104.4  Favored     ?    11  31.760     8  0.17    11  0.60  molprobity  1.000  
 75   75  mt       -119.0    35.4  Favored     ?    11  31.050     8  0.25    11  0.42  molprobity  1.000  
 76   76  tt0       -62.3   132.2  Favored     ?     6  44.440     9  0.27    12  0.36  molprobity  1.000  
 77   77  m120       54.1    29.6  Favored     1     6  39.040     8  0.27    11  0.40  molprobity  1.000  
 78   78  ?         -86.4   153.3  Favored     ?     5  34.120     5  0.29     7  0.27  molprobity  1.000  
 79   79  mt       -103.8   117.1  Favored     ?    11  33.140     8  0.19    11  0.61  molprobity  1.000  
 80   80  mt       -131.4    48.1  Favored     ?    11  35.330     8  0.19    11  0.39  molprobity  1.000  
 81   81  t         -69.4   121.2  Favored     ?     9  33.170     7  0.20    10  0.57  molprobity  1.000  
 82   82  mt-10      59.5    28.6  Favored     ?     6  45.630     9  0.26    12  0.37  molprobity  1.000  
 83   83  m         -79.3   144.6  Favored     ?     7  33.230     7  0.34    10  0.56  molprobity  1.000  
 84   84  t30       -90.7    98.7  Favored     ?     6  31.570     8  0.40    11  0.35  molprobity  1.000  
 85   85  mt       -110.5    22.4  Favored     ?    11  27.710     8  0.15    11  0.48  molprobity  1.000  
 86   86  p         -66.8   141.0  Favored     ?     5  31.090     6  0.39     8  0.63  molprobity  1.000  
 87   87  mt-10      56.0    28.5  Favored     ?     6  39.490     9  0.25    12  0.44  molprobity  1.000  
 88   88  p         -91.8   158.3  Favored     ?     7  28.670     7  0.43    10  0.84  molprobity  1.000  
 89   89  t0       -101.8   106.6  Favored     ?     4  38.030     8  0.30    11  0.71  molprobity  1.000  
 90   90  mt       -113.5    30.1  Favored     ?    11  29.780     8  0.28    11  0.51  molprobity  1.000  
 91   91  tt0       -60.3   132.1  Favored     ?     6  39.770     9  0.20    12  0.43  molprobity  1.000  
 92   92  m-20       56.6    24.1  Favored     1     6  36.920     8  0.26    11  0.41  molprobity  1.000  
 93   93  ?         -76.0   156.5  Favored     ?     5  31.180     5  0.47     7  0.41  molprobity  1.000  
 94   94  mt       -109.4   107.0  Favored     ?    11  32.750     8  0.32    11  0.51  molprobity  1.000  
 95   95  mt       -117.7    31.7  Favored     ?    11  32.470     8  0.30    11  0.34  molprobity  1.000  
 96   96  mt        -57.5   126.5  Favored     ?    11  32.800     8  0.18    11  0.64  molprobity  1.000  
 97   97  ?          64.8    10.4  Favored     ?     3  34.110     4  0.31     5  0.51  molprobity  1.000  
 98   98  ?         -66.1   148.4  Favored     ?     5  31.830     5  0.30     7  0.35  molprobity  1.000  
 99   99  t-20     -104.3   100.0  Favored     ?     6  33.030     8  0.28    11  0.49  molprobity  1.000  
100  100  mt       -106.3    29.0  Favored     ?    11  32.580     8  0.21    11  0.47  molprobity  1.000  
101  101  tt0       -55.6   121.3  Favored     ?     8  44.500     9  0.34    12  0.45  molprobity  1.000  
102  102  ?          69.9    10.7  Favored     ?     3  34.290     4  0.35     5  0.16  molprobity  1.000  
103  103  ?         -70.3   147.8  Favored     ?     5  32.270     5  0.28     7  0.42  molprobity  1.000  
104  104  t30      -102.3   111.3  Favored     ?     6  31.390     8  0.30    11  0.36  molprobity  1.000  
105  105  mp       -116.2    23.2  Favored     ?    11  33.460     8  0.28    11  0.75  molprobity  1.000  
106  106  tt0       -50.5   129.2  Favored     ?     6  41.360     9  0.29    12  0.63  molprobity  1.000  
107  107  m-20       57.4    21.1  Favored     ?     6  33.290     8  0.29    11  0.53  molprobity  1.000  
108  108  ?         -77.9   154.0  Favored     ?     5  30.220     5  0.35     7  0.52  molprobity  1.000  
109  109  t30      -103.3   117.2  Favored     ?     6  32.240     8  0.40    11  0.50  molprobity  1.000  
110  110  mp       -116.7    27.5  Favored     ?    11  35.880     8  0.34    11  0.79  molprobity  1.000  
111  111  tt0       -61.0   128.8  Favored     1     8  45.130     9  0.22    12  0.39  molprobity  1.000  
112  112  ?          66.6     6.4  Favored     ?     3  34.590     4  0.53     5  0.38  molprobity  1.000  
113  113  ?         -76.2   150.1  Favored     ?     5  35.290     5  0.26     7  0.35  molprobity  1.000  
114  114  t-20     -109.2   112.7  Favored     ?     6  38.120     8  0.30    11  0.33  molprobity  1.000  
115  115  mp       -116.3    29.6  Favored     ?    11  35.850     8  0.23    11  0.57  molprobity  1.000  
116  116  tt0       -52.9   129.8  Favored     ?     6  45.370     9  0.38    12  0.47  molprobity  1.000  
117  117  m-20       62.5    13.5  Favored     ?     6  37.750     8  0.26    11  0.58  molprobity  1.000  
118  118  ?         -72.5   149.6  Favored     ?     5  35.240     5  0.31     7  0.27  molprobity  1.000  
119  119  t30       -97.0   110.9  Favored     ?     6  33.920     8  0.32    11  0.32  molprobity  1.000  
120  120  mp       -109.7    24.8  Favored     ?    11  35.720     8  0.18    11  0.61  molprobity  1.000  
121  121  mtt85     -62.4   122.8  Favored     ?    13  46.150    11  0.23    14  0.51  molprobity  1.000  
122  122  ?          73.2    -3.2  Favored     ?     3  39.190     4  0.30     5  0.25  molprobity  1.000  
123  123  ?         -70.7   149.1  Favored     ?     5  37.270     5  0.26     7  0.45  molprobity  1.000  
124  124  OUTLIER  -108.0   118.2  Favored     ?    11  36.330     8  0.79    11  0.35  molprobity  1.000  
125  125  mp       -114.6    29.0  Favored     ?    11  37.700     8  0.28    11  0.76  molprobity  1.000  
126  126  m         -58.4   133.5  Favored     ?     7  36.940     7  0.18    10  0.68  molprobity  1.000  
127  127  ?          66.7    13.7  Favored     ?     3  36.350     4  0.31     5  0.50  molprobity  1.000  
128  128  t         -76.1   140.0  Favored     ?     9  39.060     7  0.26    10  0.76  molprobity  1.000  
129  129  t30       -86.8   105.9  Favored     ?     6  48.500     8  0.41    11  0.48  molprobity  1.000  
130  130  mt       -102.4    32.5  Favored     ?    11  52.520     8  0.22    11  0.48  molprobity  1.000  
131  131  tt0       -74.0   111.9  Favored     ?     6  67.850     9  0.22    12  0.31  molprobity  1.000  
132  132  mt-10      65.6    32.9  Favored     ?     6  64.260     9  0.19    12  0.36  molprobity  1.000  
133  133  m         -93.1   125.3  Favored     ?     7  47.220     7  0.27    10  0.65  molprobity  1.000  
134  134  t-160     -80.8   107.4  Favored     ?     7  42.660    11  0.13    15  0.24  molprobity  1.000  
135  135  mt       -109.5    19.3  Favored     ?    11  33.850     8  0.28    11  0.65  molprobity  1.000  
136  136  tttt      -57.7   128.6  Favored     ?    13  38.290     9  0.25    11  0.42  molprobity  1.000  
137  137  ?          72.0     7.6  Favored     ?     3  37.100     4  0.23     5  1.30  molprobity  1.000  
138  138  pt        -63.6   155.6  Favored     ?    11  39.500     8  0.29    11  0.62  molprobity  1.000  
139  139  mt-10    -112.6   137.7  Favored     ?     6  53.100     9  0.41    12  0.43  molprobity  1.000  
140  140  p        -139.8   179.9  Favored     ?     7  47.870     7  0.31    10  0.59  molprobity  1.000  
141  141  p30      -159.3  -176.9  Favored     ?     4  48.880     8  0.27    11  0.38  molprobity  1.000  
142  142  pttt      -62.3   -21.2  Favored     ?    13  53.900     9  0.25    11  0.30  molprobity  1.000  
143  143  m120      -82.2   -17.9  Favored     ?     6  46.140     8  0.26    11  0.43  molprobity  1.000  
144  144  m         -67.2   125.7  Favored     ?     7  35.940     7  0.35    10  0.67  molprobity  1.000  
145  145  t        -108.3   126.9  Favored     ?     9  35.880     7  0.26    10  0.57  molprobity  1.000  
146  146  m95      -109.8   -22.2  Favored     ?    10  37.610    16  0.34    23  0.27  molprobity  1.000  
147  147  m-20          ?       ?  ?           ?     4  53.650     8  0.61     8  0.52  molprobity  1.000  
148  148  ?             ?       ?  ?           ?     ?  48.430     ?     ?     ?     ?  ?           0.500  
149  149  ?             ?       ?  ?           ?     ?  29.570     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?  33.890     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?     ?  35.980     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?     ?  42.640     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?  43.230     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?     ?  45.490     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?     ?  53.360     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?     ?  37.480     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?     ?  40.220     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?  56.160     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?  46.210     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?  49.210     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?  48.940     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?  50.820     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?  40.310     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?  51.640     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?  36.930     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?  41.210     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?  53.840     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?  55.250     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?  41.340     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?  44.980     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?  33.960     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?  48.430     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?  62.840     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?  50.530     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?  46.270     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?  46.180     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?  43.790     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?  49.000     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?     ?  45.300     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?     ?  55.000     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?     ?  46.570     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?     ?  52.090     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?     ?  51.010     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?     ?  39.800     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?     ?  43.530     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?     ?  54.760     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?     ?  34.710     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?     ?  51.660     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?     ?  54.020     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?     ?  53.930     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?     ?  52.760     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?     ?  44.220     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?     ?  51.320     ?     ?     ?     ?  ?           1.000  
194  194  ?             ?       ?  ?           ?     ?  63.890     ?     ?     ?     ?  ?           1.000  
195  195  ?             ?       ?  ?           ?     ?  59.630     ?     ?     ?     ?  ?           1.000  
196  196  ?             ?       ?  ?           ?     ?  57.030     ?     ?     ?     ?  ?           1.000  
197  197  ?             ?       ?  ?           ?     ?  42.990     ?     ?     ?     ?  ?           1.000  
198  198  ?             ?       ?  ?           ?     ?  48.410     ?     ?     ?     ?  ?           1.000  
199  199  ?             ?       ?  ?           ?     ?  56.530     ?     ?     ?     ?  ?           1.000  
200  200  ?             ?       ?  ?           ?     ?  53.010     ?     ?     ?     ?  ?           1.000  
201  201  ?             ?       ?  ?           ?     ?  57.080     ?     ?     ?     ?  ?           1.000  
202  202  ?             ?       ?  ?           ?     ?  56.290     ?     ?     ?     ?  ?           1.000  
203  203  ?             ?       ?  ?           ?     ?  55.590     ?     ?     ?     ?  ?           1.000  
204  204  ?             ?       ?  ?           ?     ?  50.920     ?     ?     ?     ?  ?           1.000  
205  205  ?             ?       ?  ?           ?     ?  49.100     ?     ?     ?     ?  ?           1.000  
206  206  ?             ?       ?  ?           ?     ?  63.410     ?     ?     ?     ?  ?           1.000  
207  207  ?             ?       ?  ?           ?     ?  52.410     ?     ?     ?     ?  ?           1.000  
208  208  ?             ?       ?  ?           ?     ?  53.850     ?     ?     ?     ?  ?           1.000  
209  209  ?             ?       ?  ?           ?     ?  57.590     ?     ?     ?     ?  ?           1.000  
210  210  ?             ?       ?  ?           ?     ?  56.620     ?     ?     ?     ?  ?           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    3  HG23   1  0.42  2.34  
 2    4  N      1  0.42  2.34  
 3    7  CZ     2  0.41  2.55  
 4   11  HD22   2  0.41  2.55  
 5   21  CD     3  0.46  2.19  
 6   21  H      3  0.46  2.19  
 7   35  HB3    4  0.43  2.69  
 8   36  N      5  0.50  2.27  
 9   36  HD12   5  0.50  2.27  
10   38  O      6  0.48  2.13  
11   41  HG23   6  0.48  2.13  
12   42  HG23   7  0.40  2.20  
13   42  O      7  0.40  2.20  
14   47  SE     4  0.43  2.69  
15   49  NZ     8  0.79  1.98  
16   49  HA     8  0.79  1.98  
17   49  HA     9  0.64  1.62  
18   49  HA    10  0.56  1.71  
19   49  HZ3    9  0.64  1.62  
20   49  HZ2   10  0.56  1.71  
21   55  HD12  11  0.50  1.92  
22   56  HG22  12  0.57  1.86  
23   57  HG3   12  0.57  1.86  
24   60  HB2   13  0.63  1.81  
25   60  HB2   14  0.50  2.40  
26   62  ND2   15  0.40  2.36  
27   73  HD11  11  0.50  1.92  
28   80  HD23  13  0.63  1.81  
29   80  CD2   14  0.50  2.40  
30  114  C     16  0.40  2.41  
31  115  HD12  16  0.40  2.41  
32  124  HG13  17  0.61  2.00  
33  124  O     17  0.61  2.00  
34  124  HD12  18  0.54  1.72  
35  126  H     18  0.54  1.72  
36  140  O     19  0.51  2.88  
37  148  AS    19  0.51  2.88  
38  167  O     15  0.40  2.36  
#
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   5  0.980  0.151   0.037  
  2    2   8  0.946  0.124       ?  
  3    3   7  0.920  0.156   0.065  
  4    4   8  0.933  0.129  -0.455  
  5    5   8  0.946  0.129  -0.455  
  6    6   8  0.980  0.155  -0.210  
  7    7  12  0.936  0.179   0.460  
  8    8  11  0.958  0.136  -0.629  
  9    9   8  0.975  0.175   0.116  
 10   10   9  0.946  0.189   0.004  
 11   11   8  0.929  0.224   0.915  
 12   12   9  0.868  0.265   0.948  
 13   13  11  0.930  0.165  -0.244  
 14   14   9  0.961  0.131  -0.717  
 15   15   6  0.893  0.110  -0.442  
 16   16   7  0.963  0.139  -0.350  
 17   17   4  0.959  0.116  -0.431  
 18   18   6  0.809  0.144   0.232  
 19   19   8  0.920  0.210   0.734  
 20   20   8  0.979  0.139  -0.471  
 21   21   9  0.870  0.212   0.289  
 22   22   4  0.991  0.131  -0.210  
 23   23   7  0.968  0.150  -0.166  
 24   24   8  0.953  0.141  -0.279  
 25   25   8  0.975  0.171   0.051  
 26   26   7  0.969  0.139  -0.141  
 27   27  11  0.963  0.136  -0.629  
 28   28   9  0.946  0.136  -0.655  
 29   29   8  0.965  0.143  -0.250  
 30   30  11  0.970  0.149  -0.154  
 31   31   4  0.986  0.112  -0.490  
 32   32   8  0.946  0.194   0.426  
 33   33   9  0.940  0.152  -0.576  
 34   34  12  0.917  0.150  -0.049  
 35   35  11  0.858  0.218   0.459  
 36   36   8  0.880  0.212   0.771  
 37   37   7  0.779  0.307   2.484  
 38   38   6  0.869  0.134  -0.256  
 39   39   7  0.873  0.130  -0.281  
 40   40   8  0.910  0.214   0.752  
 41   41   7  0.895  0.276   1.945  
 42   42   7  0.830  0.206   0.877  
 43   43   7  0.873  0.140  -0.195  
 44   44   7  0.893  0.145  -0.047  
 45   45  11  0.788  0.285   2.124  
 46   46   4  0.809  0.333   2.760  
 47   47   8  0.886  0.299       ?  
 48   48   8  0.809  0.324   2.272  
 49   49   9  0.878  0.317   1.468  
 50   50   5  0.918  0.120  -0.465  
 51   51   9  0.925  0.192  -0.081  
 52   52   7  0.942  0.115  -0.516  
 53   53   7  0.982  0.123  -0.618  
 54   54   8  0.945  0.144  -0.263  
 55   55   8  0.978  0.142  -0.423  
 56   56   7  0.968  0.141  -0.179  
 57   57  11  0.935  0.160  -0.310  
 58   58   5  0.975  0.122  -0.433  
 59   59   8  0.978  0.141  -0.279  
 60   60   8  0.962  0.185   0.279  
 61   61   6  0.979  0.138  -0.194  
 62   62   8  0.975  0.147  -0.191  
 63   63   5  0.978  0.132  -0.271  
 64   64   8  0.980  0.150  -0.147  
 65   65   8  0.979  0.161  -0.113  
 66   66  12  0.972  0.145  -0.137  
 67   67   9  0.966  0.137  -0.531  
 68   68   6  0.976  0.126  -0.380  
 69   69   8  0.983  0.109  -0.756  
 70   70   8  0.974  0.121  -0.765  
 71   71   6  0.964  0.144  -0.101  
 72   72   6  0.972  0.123  -0.427  
 73   73   8  0.980  0.141  -0.416  
 74   74   8  0.979  0.153  -0.216  
 75   75   8  0.978  0.166  -0.031  
 76   76   9  0.899  0.229   0.501  
 77   77   8  0.943  0.160   0.000  
 78   78   5  0.955  0.147  -0.028  
 79   79   8  0.976  0.148  -0.299  
 80   80   8  0.958  0.183   0.246  
 81   81   7  0.974  0.172   0.203  
 82   82   9  0.909  0.183  -0.071  
 83   83   7  0.982  0.158   0.097  
 84   84   8  0.956  0.143  -0.250  
 85   85   8  0.990  0.146  -0.357  
 86   86   6  0.960  0.155   0.070  
 87   87   9  0.929  0.192   0.041  
 88   88   7  0.968  0.145  -0.114  
 89   89   8  0.966  0.138  -0.348  
 90   90   8  0.966  0.121  -0.765  
 91   91   9  0.921  0.184  -0.058  
 92   92   8  0.958  0.126  -0.499  
 93   93   5  0.966  0.119  -0.481  
 94   94   8  0.971  0.140  -0.433  
 95   95   8  0.981  0.153  -0.243  
 96   96   8  0.983  0.147  -0.316  
 97   97   4  0.978  0.113  -0.475  
 98   98   5  0.976  0.127  -0.352  
 99   99   8  0.963  0.116  -0.646  
100  100   8  0.975  0.176   0.132  
101  101   9  0.917  0.198   0.299  
102  102   4  0.966  0.121  -0.357  
103  103   5  0.977  0.109  -0.643  
104  104   8  0.966  0.119  -0.602  
105  105   8  0.955  0.153  -0.243  
106  106   9  0.923  0.201   0.153  
107  107   8  0.959  0.137  -0.338  
108  108   5  0.976  0.121  -0.449  
109  109   8  0.965  0.111  -0.720  
110  110   8  0.942  0.130  -0.618  
111  111   9  0.941  0.176   0.000  
112  112   4  0.977  0.125  -0.299  
113  113   5  0.979  0.106  -0.692  
114  114   8  0.962  0.136  -0.352  
115  115   8  0.975  0.149  -0.308  
116  116   9  0.915  0.165  -0.294  
117  117   8  0.946  0.142  -0.264  
118  118   5  0.966  0.139  -0.157  
119  119   8  0.934  0.109  -0.749  
120  120   8  0.961  0.179   0.181  
121  121  11  0.947  0.177  -0.085  
122  122   4  0.970  0.151   0.084  
123  123   5  0.961  0.159   0.167  
124  124   8  0.950  0.172   0.102  
125  125   8  0.978  0.180   0.197  
126  126   7  0.972  0.144  -0.130  
127  127   4  0.968  0.121  -0.357  
128  128   7  0.949  0.143  -0.283  
129  129   8  0.932  0.154  -0.088  
130  130   8  0.932  0.145  -0.374  
131  131   9  0.867  0.246   0.712  
132  132   9  0.877  0.296   1.333  
133  133   7  0.949  0.149  -0.049  
134  134  10  0.944  0.150  -0.092  
135  135   8  0.980  0.164  -0.064  
136  136   9  0.956  0.152  -0.576  
137  137   4  0.974  0.133  -0.181  
138  138   8  0.973  0.138  -0.467  
139  139   9  0.903  0.182  -0.083  
140  140   7  0.953  0.119  -0.536  
141  141   8  0.891  0.166   0.046  
142  142   9  0.923  0.206   0.093  
143  143   8  0.924  0.161   0.015  
144  144   7  0.946  0.140  -0.195  
145  145   7  0.968  0.120  -0.668  
146  146  14  0.971  0.129  -0.363  
147  147   9  0.906  0.235   1.018  
148  148   1  0.964  0.235       ?  
149  149   1  0.927  0.158       ?  
150  150   1  0.975  0.168       ?  
151  151   1  0.914  0.269       ?  
152  152   1  0.927  0.257       ?  
153  153   1  0.896  0.156       ?  
154  154   1  0.855  0.126       ?  
155  155   1  0.645  0.348       ?  
156  156   1  0.933  0.195       ?  
157  157   1  0.945  0.197       ?  
158  158   1  0.850  0.609       ?  
159  159   1  0.629  0.522       ?  
160  160   1  0.819  0.222       ?  
161  161   1  0.746  0.110       ?  
162  162   1  0.709  0.816       ?  
163  163   1  0.867  0.159       ?  
164  164   1  0.873  0.136       ?  
165  165   1  0.857  0.208       ?  
166  166   1  0.887  0.453       ?  
167  167   1  0.892  0.338       ?  
168  168   1  0.555  0.292       ?  
169  169   1  0.718  0.239       ?  
170  170   1  0.787  0.153       ?  
171  171   1  0.889  0.162       ?  
172  172   1  0.762  0.183       ?  
173  173   1  0.712  0.227       ?  
174  174   1  0.842  0.111       ?  
175  175   1  0.855  0.268       ?  
176  176   1  0.586  0.507       ?  
177  177   1  0.897  0.288       ?  
178  178   1  0.784  0.449       ?  
179  179   1  0.914  0.233       ?  
180  180   1  0.556  0.301       ?  
181  181   1  0.780  0.148       ?  
182  182   1  0.938  0.197       ?  
183  183   1  0.775  0.283       ?  
184  184   1  0.867  0.235       ?  
185  185   1  0.903  0.195       ?  
186  186   1  0.625  0.196       ?  
187  187   1  0.888  0.239       ?  
188  188   1  0.776  0.237       ?  
189  189   1  0.655  0.329       ?  
190  190   1  0.615  0.506       ?  
191  191   1  0.730  0.435       ?  
192  192   1  0.860  0.148       ?  
193  193   1  0.857  0.392       ?  
194  194   1  0.072  0.317       ?  
195  195   1  0.553  0.181       ?  
196  196   1  0.759  0.140       ?  
197  197   1  0.898  0.230       ?  
198  198   1  0.823  0.458       ?  
199  199   1  0.724  0.175       ?  
200  200   1  0.587  0.334       ?  
201  201   1  0.589  0.202       ?  
202  202   1  0.599  0.410       ?  
203  203   1  0.719  0.360       ?  
204  204   1  0.840  0.163       ?  
205  205   1  0.868  0.131       ?  
206  206   1  0.679  0.201       ?  
207  207   1  0.665  0.221       ?  
208  208   1  0.541  0.201       ?  
209  209   1  0.481  0.370       ?  
210  210   1  0.545  0.305       ?  
#
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          2.36                                                                  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  
##
