data_5W2K

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5W2K
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5W2K
_pdbx_vrpt_summary.PDB_deposition_date         2017-06-06
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-10-04
_pdbx_vrpt_summary.report_creation_date        2023-09-25:14:42
_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      "Polyisoprenoid-binding protein"  
2  non-polymer  "UNKNOWN LIGAND"  
3  non-polymer  "SULFATE ION"  
4  non-polymer  "MERCURIBENZOIC ACID"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  4  
F  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.78  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   36.43  141614     ?     ?  
 2  2  1   61.51    4575  2.76  2.80  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    4487  2.76  2.80  
 5  1  3   43.14  138945     ?     ?  
 6  2  3   74.14    4489  2.76  2.80  
 7  1  4   89.03  127900     ?     ?  
 8  2  4   87.76    4027  2.76  2.80  
 9  1  5   27.11  130704     ?     ?  
10  2  5   59.47    4107  2.76  2.80  
#
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   43.14  
4  6  3  A  1  1  A   74.14  
5  7  4  A  1  1  A   89.03  
6  8  4  A  1  1  A   87.76  
#
_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      0.89
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.65
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1341
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1801
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.78
_pdbx_vrpt_summary_geometry.clashscore                     7.90
_pdbx_vrpt_summary_geometry.num_H_reduce                   1306
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1341
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.65
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1801
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.89
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            67.734
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         82.060
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.14(2.77A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        12319
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.312
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.510
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.349
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.953
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.22
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.78
_pdbx_vrpt_summary_diffraction.EDS_res_low               38.71
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[80.057,80.057,86.922,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.083
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.07% 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         2
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.50
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      633
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.14
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.58
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.78
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        38.71
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A    1  MET  A   21  .  ?        ?     ?  
  2  1  1  A    2  LYS  A   22  .  ?        ?     ?  
  3  1  1  A    3  GLU  A   23  .  ?        ?     ?  
  4  1  1  A    4  TYR  A   24  .  ?        ?     ?  
  5  1  1  A    5  THR  A   25  .  ?        ?     ?  
  6  1  1  A    6  LEU  A   26  .  ?        1     3  
  7  1  1  A    7  ASP  A   27  .  ?        ?     ?  
  8  1  1  A    8  LYS  A   28  .  ?        ?     ?  
  9  1  1  A    9  ALA  A   29  .  ?        ?     ?  
 10  1  1  A   10  HIS  A   30  .  ?        ?     ?  
 11  1  1  A   11  THR  A   31  .  ?        ?     1  
 12  1  1  A   12  ASP  A   32  .  ?        ?     ?  
 13  1  1  A   13  VAL  A   33  .  ?        ?     ?  
 14  1  1  A   14  CYS  A   34  .  ?        ?     ?  
 15  1  1  A   15  PHE  A   35  .  ?        ?     ?  
 16  1  1  A   16  LYS  A   36  .  ?        ?     ?  
 17  1  1  A   17  ILE  A   37  .  ?        ?     ?  
 18  1  1  A   18  LYS  A   38  .  ?        ?     ?  
 19  1  1  A   19  HIS  A   39  .  ?        ?     ?  
 20  1  1  A   20  LEU  A   40  .  ?        ?     ?  
 21  1  1  A   21  GLN  A   41  .  ?        ?     ?  
 22  1  1  A   22  ILE  A   42  .  ?        ?     ?  
 23  1  1  A   23  SER  A   43  .  ?        ?     ?  
 24  1  1  A   24  ASN  A   44  .  ?        ?     ?  
 25  1  1  A   25  VAL  A   45  .  ?        ?     ?  
 26  1  1  A   26  LYS  A   46  .  ?        ?     ?  
 27  1  1  A   27  GLY  A   47  .  ?        ?     1  
 28  1  1  A   28  ASN  A   48  .  ?        ?     ?  
 29  1  1  A   29  PHE  A   49  .  ?        ?     ?  
 30  1  1  A   30  LYS  A   50  .  ?        ?     ?  
 31  1  1  A   31  ASP  A   51  .  ?        ?     ?  
 32  1  1  A   32  TYR  A   52  .  ?        ?     ?  
 33  1  1  A   33  SER  A   53  .  ?        ?     ?  
 34  1  1  A   34  ALA  A   54  .  ?        ?     ?  
 35  1  1  A   35  VAL  A   55  .  ?        ?     ?  
 36  1  1  A   36  ILE  A   56  .  ?        ?     ?  
 37  1  1  A   37  ASP  A   57  .  ?        ?     ?  
 38  1  1  A   38  PHE  A   58  .  ?        ?     ?  
 39  1  1  A   39  ASP  A   59  .  ?        ?     ?  
 40  1  1  A   40  PRO  A   60  .  ?        ?     1  
 41  1  1  A   41  ALA  A   61  .  ?        ?     ?  
 42  1  1  A   42  SER  A   62  .  ?        ?     ?  
 43  1  1  A   43  ALA  A   63  .  ?        ?     ?  
 44  1  1  A   44  GLU  A   64  .  ?        ?     ?  
 45  1  1  A   45  PHE  A   65  .  ?        ?     ?  
 46  1  1  A   46  LYS  A   66  .  ?        ?     ?  
 47  1  1  A   47  LYS  A   67  .  ?        ?     ?  
 48  1  1  A   48  LEU  A   68  .  ?        ?     ?  
 49  1  1  A   49  ASP  A   69  .  ?        ?     ?  
 50  1  1  A   50  VAL  A   70  .  ?        ?     ?  
 51  1  1  A   51  THR  A   71  .  ?        ?     ?  
 52  1  1  A   52  ILE  A   72  .  ?        ?     ?  
 53  1  1  A   53  LYS  A   73  .  ?        ?     ?  
 54  1  1  A   54  ILE  A   74  .  ?        ?     1  
 55  1  1  A   55  ALA  A   75  .  ?        ?     ?  
 56  1  1  A   56  SER  A   76  .  ?        ?     ?  
 57  1  1  A   57  VAL  A   77  .  ?        ?     ?  
 58  1  1  A   58  ASN  A   78  .  ?        ?     ?  
 59  1  1  A   59  THR  A   79  .  ?        ?     2  
 60  1  1  A   60  GLU  A   80  .  ?        ?     ?  
 61  1  1  A   61  ASN  A   81  .  ?        ?     ?  
 62  1  1  A   62  GLN  A   82  .  ?        ?     ?  
 63  1  1  A   63  THR  A   83  .  ?        ?     1  
 64  1  1  A   64  ARG  A   84  .  ?        ?     1  
 65  1  1  A   65  ASP  A   85  .  ?        ?     ?  
 66  1  1  A   66  ASN  A   86  .  ?        ?     ?  
 67  1  1  A   67  HIS  A   87  .  ?        ?     ?  
 68  1  1  A   68  LEU  A   88  .  ?        ?     1  
 69  1  1  A   69  GLN  A   89  .  ?        ?     2  
 70  1  1  A   70  GLN  A   90  .  ?        ?     ?  
 71  1  1  A   71  ASP  A   91  .  ?        ?     1  
 72  1  1  A   72  ASP  A   92  .  ?        ?     ?  
 73  1  1  A   73  PHE  A   93  .  ?        ?     1  
 74  1  1  A   74  PHE  A   94  .  ?        ?     1  
 75  1  1  A   75  LYS  A   95  .  ?        ?     2  
 76  1  1  A   76  ALA  A   96  .  ?        ?     ?  
 77  1  1  A   77  LYS  A   97  .  ?        ?     ?  
 78  1  1  A   78  LYS  A   98  .  ?        ?     ?  
 79  1  1  A   79  TYR  A   99  .  ?        ?     ?  
 80  1  1  A   80  PRO  A  100  .  ?        ?     ?  
 81  1  1  A   81  ASP  A  101  .  ?        ?     ?  
 82  1  1  A   82  MET  A  102  .  ?        ?     3  
 83  1  1  A   83  THR  A  103  .  ?        ?     ?  
 84  1  1  A   84  PHE  A  104  .  ?        ?     ?  
 85  1  1  A   85  THR  A  105  .  ?        ?     ?  
 86  1  1  A   86  MET  A  106  .  ?        ?     ?  
 87  1  1  A   87  LYS  A  107  .  ?        ?     ?  
 88  1  1  A   88  LYS  A  108  .  ?        ?     ?  
 89  1  1  A   89  TYR  A  109  .  ?        ?     ?  
 90  1  1  A   90  GLU  A  110  .  ?        ?     ?  
 91  1  1  A   91  LYS  A  111  .  ?        ?     ?  
 92  1  1  A   92  ILE  A  112  .  ?        ?     ?  
 93  1  1  A   93  ASP  A  113  .  ?        ?     ?  
 94  1  1  A   94  ASN  A  114  .  ?        ?     ?  
 95  1  1  A   95  GLU  A  115  .  ?        ?     ?  
 96  1  1  A   96  LYS  A  116  .  ?        ?     ?  
 97  1  1  A   97  GLY  A  117  .  ?        ?     ?  
 98  1  1  A   98  LYS  A  118  .  ?        ?     1  
 99  1  1  A   99  MET  A  119  .  ?        ?     ?  
100  1  1  A  100  THR  A  120  .  ?        ?     ?  
101  1  1  A  101  GLY  A  121  .  ?        ?     1  
102  1  1  A  102  THR  A  122  .  ?        ?     ?  
103  1  1  A  103  LEU  A  123  .  ?        ?     1  
104  1  1  A  104  THR  A  124  .  ?        ?     1  
105  1  1  A  105  ILE  A  125  .  ?        ?     3  
106  1  1  A  106  ALA  A  126  .  ?        ?     ?  
107  1  1  A  107  GLY  A  127  .  ?        ?     ?  
108  1  1  A  108  VAL  A  128  .  ?        ?     1  
109  1  1  A  109  SER  A  129  .  ?        ?     1  
110  1  1  A  110  LYS  A  130  .  ?        ?     ?  
111  1  1  A  111  ASP  A  131  .  ?        ?     1  
112  1  1  A  112  ILE  A  132  .  ?        ?     ?  
113  1  1  A  113  VAL  A  133  .  ?        ?     ?  
114  1  1  A  114  LEU  A  134  .  ?        ?     ?  
115  1  1  A  115  ASP  A  135  .  ?        ?     ?  
116  1  1  A  116  ALA  A  136  .  ?        ?     ?  
117  1  1  A  117  GLU  A  137  .  ?        ?     ?  
118  1  1  A  118  ILE  A  138  .  ?        ?     ?  
119  1  1  A  119  GLY  A  139  .  ?        ?     ?  
120  1  1  A  120  GLY  A  140  .  ?        ?     ?  
121  1  1  A  121  VAL  A  141  .  ?        ?     1  
122  1  1  A  122  ALA  A  142  .  ?        ?     1  
123  1  1  A  123  LYS  A  143  .  ?        ?     1  
124  1  1  A  124  GLY  A  144  .  ?        ?     ?  
125  1  1  A  125  LYS  A  145  .  ?        ?     ?  
126  1  1  A  126  ASP  A  146  .  ?        ?     ?  
127  1  1  A  127  GLY  A  147  .  ?        ?     ?  
128  1  1  A  128  LYS  A  148  .  ?        ?     ?  
129  1  1  A  129  GLU  A  149  .  ?        ?     2  
130  1  1  A  130  LYS  A  150  .  ?        ?     1  
131  1  1  A  131  ILE  A  151  .  ?        ?     ?  
132  1  1  A  132  GLY  A  152  .  ?        ?     ?  
133  1  1  A  133  PHE  A  153  .  ?        ?     ?  
134  1  1  A  134  SER  A  154  .  ?        ?     ?  
135  1  1  A  135  LEU  A  155  .  ?        ?     ?  
136  1  1  A  136  ASN  A  156  .  ?        ?     ?  
137  1  1  A  137  GLY  A  157  .  ?        ?     ?  
138  1  1  A  138  LYS  A  158  .  ?        ?     ?  
139  1  1  A  139  ILE  A  159  .  ?        ?     ?  
140  1  1  A  140  LYS  A  160  .  ?        ?     ?  
141  1  1  A  141  ARG  A  161  .  ?        ?     ?  
142  1  1  A  142  SER  A  162  .  ?        ?     ?  
143  1  1  A  143  ASP  A  163  .  ?        ?     ?  
144  1  1  A  144  PHE  A  164  .  ?        ?     ?  
145  1  1  A  145  LYS  A  165  .  ?        ?     ?  
146  1  1  A  146  PHE  A  166  .  ?        ?     ?  
147  1  1  A  147  ALA  A  167  .  ?        ?     ?  
148  1  1  A  148  THR  A  168  .  ?        ?     ?  
149  1  1  A  149  SER  A  169  .  ?        ?     ?  
150  1  1  A  150  THR  A  170  .  ?        ?     ?  
151  1  1  A  151  SER  A  171  .  ?        ?     ?  
152  1  1  A  152  THR  A  172  .  ?        ?     ?  
153  1  1  A  153  ILE  A  173  .  ?        ?     ?  
154  1  1  A  154  THR  A  174  .  ?        ?     ?  
155  1  1  A  155  LEU  A  175  .  ?        ?     ?  
156  1  1  A  156  SER  A  176  .  ?        ?     ?  
157  1  1  A  157  ASP  A  177  .  ?        ?     ?  
158  1  1  A  158  ASP  A  178  .  ?        ?     ?  
159  1  1  A  159  ILE  A  179  .  ?        ?     ?  
160  1  1  A  160  ASN  A  180  .  ?        ?     ?  
161  1  1  A  161  LEU  A  181  .  ?        ?     ?  
162  1  1  A  162  ASN  A  182  .  ?        ?     ?  
163  1  1  A  163  ILE  A  183  .  ?        ?     ?  
164  1  1  A  164  GLU  A  184  .  ?        ?     ?  
165  1  1  A  165  VAL  A  185  .  ?        ?     ?  
166  1  1  A  166  GLU  A  186  .  ?        ?     ?  
167  1  1  A  167  ALA  A  187  .  ?        ?     ?  
168  1  1  A  168  ASN  A  188  .  ?        ?     ?  
169  1  1  A  169  GLU  A  189  .  ?        ?     1  
170  1  1  A  170  LYS  A  190  .  ?        ?     ?  
171  1  1  A  171  GLU  A  191  .  ?        ?     ?  
172  1  2  B    .  UNL  A  301  .  ?        ?     ?  
173  1  3  C    .  SO4  A  302  .  ?        ?     ?  
174  1  3  D    .  SO4  A  303  .  ?        ?     ?  
175  1  4  E    .  MBO  A  304  .  ?        ?     ?  
176  1  5  F    .  HOH  A  401  .  ?        ?     ?  
177  1  5  F    .  HOH  A  402  .  ?        ?     ?  
178  1  5  F    .  HOH  A  403  .  ?        ?     ?  
179  1  5  F    .  HOH  A  404  .  ?        ?     ?  
180  1  5  F    .  HOH  A  405  .  ?        ?     1  
181  1  5  F    .  HOH  A  406  .  ?        ?     ?  
182  1  5  F    .  HOH  A  407  .  ?        ?     ?  
183  1  5  F    .  HOH  A  408  .  ?        ?     ?  
184  1  5  F    .  HOH  A  409  .  ?        ?     ?  
185  1  5  F    .  HOH  A  410  .  ?        ?     ?  
186  1  5  F    .  HOH  A  411  .  ?        ?     ?  
187  1  5  F    .  HOH  A  412  .  ?        ?     ?  
188  1  5  F    .  HOH  A  413  .  ?        ?     1  
189  1  5  F    .  HOH  A  414  .  ?        ?     ?  
190  1  5  F    .  HOH  A  415  .  ?        ?     ?  
191  1  5  F    .  HOH  A  416  .  ?        ?     1  
192  1  5  F    .  HOH  A  417  .  ?        ?     ?  
193  1  5  F    .  HOH  A  418  .  ?        ?     ?  
#
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.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  OUTLIER       ?       ?  ?           8  125.830     8  0.93    10  1.22  molprobity  1.000  
  2    2  mttt     -159.1   153.1  Favored    13  103.630     9  0.52    11  1.08  molprobity  1.000  
  3    3  mt-10    -106.1   146.8  Favored     6  112.800     9  0.48    12  0.47  molprobity  1.000  
  4    4  m-85     -132.2   160.0  Favored     9   88.850    13  1.24    18  0.76  molprobity  1.000  
  5    5  m        -126.2   132.0  Favored     7   98.390     7  0.88    10  1.21  molprobity  1.000  
  6    6  mp        -55.1   144.1  Favored    11   97.980     8  0.48    11  1.95  molprobity  1.000  
  7    7  t0        -94.0   106.6  Favored     4  111.510     8  0.98    11  1.32  molprobity  1.000  
  8    8  mttm      -59.4   -25.4  Favored    13  107.270     9  0.63    11  0.85  molprobity  1.000  
  9    9  ?         -69.9   -32.1  Favored     5  103.500     5  0.36     7  0.61  molprobity  1.000  
 10   10  m80      -123.3    41.6  Favored     7  127.470    11  0.35    15  0.45  molprobity  1.000  
 11   11  m        -130.2   139.3  Favored     7   94.450     7  0.61    10  0.82  molprobity  1.000  
 12   12  m-20     -140.6   123.7  Favored     4  106.010     8  0.66    11  0.75  molprobity  1.000  
 13   13  t        -102.2    95.5  Favored     9   81.420     7  0.19    10  0.80  molprobity  1.000  
 14   14  m        -114.6   155.5  Favored     5  102.110     6  0.47     8  1.01  molprobity  1.000  
 15   15  p90      -143.2   153.2  Favored     9   89.310    12  0.51    16  0.40  molprobity  1.000  
 16   16  mttt     -128.3   134.4  Favored    13   99.800     9  0.70    11  1.08  molprobity  1.000  
 17   17  tt       -140.7   143.1  Favored    11   68.570     8  0.60    11  0.94  molprobity  1.000  
 18   18  mttt      -94.4   122.1  Favored    13  100.240     9  0.43    11  0.50  molprobity  1.000  
 19   19  OUTLIER  -127.2   153.7  Favored     7   98.590    11  0.54    15  0.88  molprobity  1.000  
 20   20  mt        -84.0   143.8  Favored    11   88.360     8  0.41    11  0.71  molprobity  1.000  
 21   21  mt-30    -132.6   131.0  Favored     8  112.000     9  0.44    12  0.41  molprobity  1.000  
 22   22  tt        -82.4   146.8  Favored    11  105.730     8  0.32    11  0.57  molprobity  1.000  
 23   23  p        -155.7   153.3  Favored     5  108.520     6  1.10     8  0.85  molprobity  1.000  
 24   24  m120      -82.9   123.3  Favored     6  127.410     8  0.46    11  0.78  molprobity  1.000  
 25   25  t         -81.8   123.7  Favored     9   98.250     7  0.55    10  0.89  molprobity  1.000  
 26   26  ?        -123.6   117.5  Favored     2   87.870     5  0.61     7  0.89  molprobity  1.000  
 27   27  ?        -137.8   155.8  Favored     3   96.860     4  0.30     5  0.43  molprobity  1.000  
 28   28  p30      -109.6  -162.9  Allowed     6   91.270     8  0.41    11  0.60  molprobity  1.000  
 29   29  m-85     -136.3   128.8  Favored     9   86.900    12  0.84    16  0.73  molprobity  1.000  
 30   30  ?         -74.2   -31.1  Favored     2   99.330     5  0.75     7  0.63  molprobity  1.000  
 31   31  t70      -127.8   115.0  Favored     4  122.620     8  0.62    11  1.36  molprobity  1.000  
 32   32  p90      -154.3   164.3  Favored     9   87.040    13  0.93    18  0.72  molprobity  1.000  
 33   33  p        -143.4   156.7  Favored     5  103.700     6  0.43     8  0.45  molprobity  1.000  
 34   34  ?        -144.2   160.5  Favored     5   97.410     5  0.52     7  1.53  molprobity  1.000  
 35   35  t        -116.7   117.9  Favored     9   91.410     7  0.31    10  0.78  molprobity  1.000  
 36   36  mt       -124.2   106.8  Favored    11   84.080     8  0.39    11  0.67  molprobity  1.000  
 37   37  m-20     -108.8   118.5  Favored     4   91.130     8  0.64    11  1.05  molprobity  1.000  
 38   38  t80      -146.8   129.2  Favored     9   85.840    12  0.88    16  0.58  molprobity  1.000  
 39   39  t0       -103.0    96.9  Favored     4   84.380     8  0.50    12  1.03  molprobity  1.000  
 40   40  Cg_exo    -58.6   -26.5  Favored     7   75.670     8  0.26    11  0.63  molprobity  1.000  
 41   41  ?         -62.2   -35.8  Favored     5   81.840     5  0.24     7  0.30  molprobity  1.000  
 42   42  p        -118.6     3.7  Favored     5   80.550     6  0.39     8  0.51  molprobity  1.000  
 43   43  ?          41.6    58.5  Favored     5   85.130     5  0.81     7  1.23  molprobity  1.000  
 44   44  mt-10    -133.3   134.7  Favored     6   81.620     9  0.69    12  0.51  molprobity  1.000  
 45   45  m-85      -83.5   144.4  Favored     9   67.960    12  1.03    16  0.69  molprobity  1.000  
 46   46  mmtt     -112.6   -38.2  Favored    13  100.790     9  0.71    11  0.81  molprobity  1.000  
 47   47  tttp     -152.6   132.1  Favored    13   98.560     9  0.42    11  1.07  molprobity  1.000  
 48   48  tp       -142.9   112.3  Favored    11   78.430     8  0.55    11  1.69  molprobity  1.000  
 49   49  m-20     -127.9   116.7  Favored     4   88.210     8  0.44    11  0.96  molprobity  1.000  
 50   50  t        -118.4   143.7  Favored     9   78.060     7  0.38    10  0.93  molprobity  1.000  
 51   51  m        -135.0   127.6  Favored     7   80.680     7  0.68    10  1.15  molprobity  1.000  
 52   52  mt       -120.5   126.8  Favored    11   82.740     8  0.91    11  1.11  molprobity  1.000  
 53   53  mttm      -77.9   111.5  Favored    13  101.360     9  0.48    11  0.68  molprobity  1.000  
 54   54  mm        -54.1   -41.5  Favored    11   86.820     8  0.39    11  0.54  molprobity  1.000  
 55   55  ?         -42.2   -29.1  Allowed     5   96.770     5  0.32     7  0.58  molprobity  1.000  
 56   56  p         -96.7    10.1  Favored     5   92.090     6  0.77     8  0.80  molprobity  1.000  
 57   57  p         -54.1   146.6  Favored     9   86.130     7  0.58    10  0.78  molprobity  1.000  
 58   58  t30      -147.3   105.3  Favored     6   97.940     8  0.43    11  0.59  molprobity  1.000  
 59   59  p        -111.8    41.0  Favored     7   95.100     7  0.53    10  0.78  molprobity  1.000  
 60   60  mm-40      55.0    38.2  Favored     6  136.100     9  0.35    12  0.64  molprobity  1.000  
 61   61  t-20     -176.1   105.5  Allowed     6  118.630     8  0.67    11  0.97  molprobity  1.000  
 62   62  tt0       -69.5   -29.5  Favored     8  147.430     9  0.44    12  0.73  molprobity  1.000  
 63   63  p         -72.5   -28.6  Favored     7  125.680     7  0.66    10  0.65  molprobity  1.000  
 64   64  ttm105    -78.2   -34.8  Favored    13  106.050    11  0.52    14  1.11  molprobity  1.000  
 65   65  m-20      -57.1   -50.7  Favored     4  112.800     8  0.81    11  0.79  molprobity  1.000  
 66   66  m-20      -50.7   -49.1  Favored     6  108.080     8  0.39    11  0.64  molprobity  1.000  
 67   67  t-80      -59.4   -25.9  Favored     7  112.230    11  0.46    15  0.49  molprobity  1.000  
 68   68  mt        -69.9   -39.0  Favored    11   90.330     8  0.62    11  1.11  molprobity  1.000  
 69   69  mm-40     -60.9   -23.6  Favored     8   92.560     9  0.57    12  0.85  molprobity  1.000  
 70   70  mm-40     -68.7   167.4  Favored     8  106.720     9  0.93    12  0.99  molprobity  1.000  
 71   71  m-20      -57.0   -22.8  Favored     4  125.990     8  0.63    11  0.83  molprobity  1.000  
 72   72  p30       -88.2    -0.9  Favored     4  119.540     8  0.83    11  1.65  molprobity  1.000  
 73   73  m-85     -132.6  -108.2  Allowed     9  107.070    12  0.81    16  0.40  molprobity  1.000  
 74   74  m-85      -75.8   -37.3  Favored     9   92.310    12  0.96    16  0.98  molprobity  1.000  
 75   75  mttt       62.3    38.3  Favored    13   92.540     9  0.69    11  0.98  molprobity  1.000  
 76   76  ?         -54.7   -11.7  Allowed     5   86.010     5  0.97     7  1.16  molprobity  1.000  
 77   77  ?         -64.2   -71.8  Allowed     2   95.650     5  0.30     7  1.30  molprobity  1.000  
 78   78  tttt      -58.9   -39.4  Favored    13   77.850     9  0.67    11  1.23  molprobity  1.000  
 79   79  m-85     -128.5    81.9  Favored     9   77.170    13  0.89    19  0.50  molprobity  1.000  
 80   80  Cg_endo   -69.6   -20.9  Favored     7   88.800     8  0.66    11  0.74  molprobity  1.000  
 81   81  p30      -138.6   152.6  Favored     4   91.660     8  0.65    11  1.44  molprobity  1.000  
 82   82  ptm      -114.6   146.8  Favored     9   84.600     8  0.65    10  1.21  molprobity  1.000  
 83   83  p        -130.7   143.6  Favored     7   78.430     7  0.60    10  1.24  molprobity  1.000  
 84   84  t80      -126.0   133.0  Favored     9   80.070    12  1.13    16  0.82  molprobity  1.000  
 85   85  m        -131.1   110.9  Favored     7   80.350     7  0.49    10  0.97  molprobity  1.000  
 86   86  ttp       -60.7   131.4  Favored     9   75.500     8  0.65    10  1.09  molprobity  1.000  
 87   87  mtpt     -113.0   -12.4  Favored    13   93.740     9  0.39    11  0.51  molprobity  1.000  
 88   88  tttp     -176.7   130.7  Allowed    13   91.020     9  0.56    11  1.40  molprobity  1.000  
 89   89  t80      -120.9   118.8  Favored     9   72.390    13  1.01    18  0.91  molprobity  1.000  
 90   90  mt-10    -106.0   113.9  Favored     6   77.140     9  0.47    12  0.79  molprobity  1.000  
 91   91  ttmt      -71.0   139.0  Favored    13   80.390     9  0.60    11  0.47  molprobity  1.000  
 92   92  mt       -101.0   -61.2  Favored    11   71.990     8  0.42    11  0.89  molprobity  1.000  
 93   93  p30      -144.6  -157.2  Allowed     4   80.660     8  0.53    11  1.06  molprobity  1.000  
 94   94  m-20      -75.4    -7.7  Favored     6   92.130     8  0.56    11  0.43  molprobity  1.000  
 95   95  mt-10    -115.2    -7.6  Favored     6   90.850     9  0.61    12  0.78  molprobity  1.000  
 96   96  mttt     -149.0   137.8  Favored    13   92.730     9  0.62    11  0.88  molprobity  1.000  
 97   97  ?        -164.1   172.0  Favored     3   69.970     4  0.66     5  0.86  molprobity  1.000  
 98   98  tttt     -116.9   103.5  Favored    13   72.270     9  0.80    11  1.17  molprobity  1.000  
 99   99  ttm       -85.7   121.3  Favored     9   68.340     8  0.66    10  1.03  molprobity  1.000  
100  100  m        -105.5   132.6  Favored     7   73.410     7  0.48    10  0.84  molprobity  1.000  
101  101  ?        -154.9   174.7  Favored     3   74.940     4  0.62     5  0.61  molprobity  1.000  
102  102  m        -103.3   118.5  Favored     7   74.570     7  0.48    10  1.01  molprobity  1.000  
103  103  tp       -100.1   134.9  Favored    11   67.530     8  0.74    11  0.64  molprobity  1.000  
104  104  m        -124.2   123.7  Favored     7   78.010     7  0.71    10  1.05  molprobity  1.000  
105  105  mt       -123.7   126.9  Favored    11   85.660     8  0.70    11  1.22  molprobity  1.000  
106  106  ?          38.8    58.4  Allowed     5   84.750     5  0.48     7  0.38  molprobity  1.000  
107  107  ?          75.7    -0.8  Favored     3   72.740     4  0.63     5  1.19  molprobity  1.000  
108  108  p        -116.2   140.4  Favored     9   76.350     7  0.80    10  1.44  molprobity  1.000  
109  109  m        -123.2   130.3  Favored     5   76.060     6  0.75     8  0.69  molprobity  1.000  
110  110  tptt     -136.5   152.2  Favored    13   88.580     9  0.54    11  1.00  molprobity  1.000  
111  111  m-20      -83.0   127.3  Favored     4   86.890     8  0.27    11  0.40  molprobity  1.000  
112  112  pt       -122.0   160.2  Favored    11   66.650     8  0.36    11  0.65  molprobity  1.000  
113  113  m        -113.4   124.2  Favored     9   74.560     7  0.71    10  0.89  molprobity  1.000  
114  114  mt       -107.6   150.3  Favored    11   71.150     8  0.56    11  0.93  molprobity  1.000  
115  115  m-20     -101.7   113.2  Favored     4   79.420     8  0.75    11  0.98  molprobity  1.000  
116  116  ?         -88.8   128.5  Favored     5   72.100     5  0.73     7  0.87  molprobity  1.000  
117  117  tt0      -128.3   107.5  Favored     6  101.080     9  0.71    12  0.64  molprobity  1.000  
118  118  mp        -78.3   116.4  Favored    11   82.940     8  0.32    11  0.93  molprobity  1.000  
119  119  ?        -105.2    42.2  Allowed     3  127.440     4  0.20     5  0.75  molprobity  1.000  
120  120  ?         110.2   102.7  Favored     3   99.670     4  0.59     5  0.80  molprobity  1.000  
121  121  t         -95.2    96.5  Favored     9  113.010     7  0.47    10  0.76  molprobity  1.000  
122  122  ?        -103.4   170.7  Favored     5  121.810     5  0.45     7  0.58  molprobity  1.000  
123  123  tttt     -112.7   105.1  Favored    13  139.210     9  0.40    11  0.74  molprobity  1.000  
124  124  ?         -60.2   166.9  Favored     3  178.280     4  0.85     5  0.55  molprobity  1.000  
125  125  OUTLIER   -44.3   -47.8  Favored    13  154.380     9  0.64    11  0.95  molprobity  1.000  
126  126  p-10      -64.5     1.5  Allowed     4  155.930     8  0.78    11  0.80  molprobity  1.000  
127  127  ?          85.6   -10.9  Favored     3  136.350     4  0.88     5  0.63  molprobity  1.000  
128  128  mttt      -90.5   143.4  Favored    13  143.030     9  0.53    11  0.84  molprobity  1.000  
129  129  mm-40     -55.9   141.9  Favored     6  123.390     9  0.76    12  1.16  molprobity  1.000  
130  130  pttt     -129.8   158.4  Favored    13  107.700     9  0.52    11  0.71  molprobity  1.000  
131  131  pt       -139.9   146.5  Favored    11   89.120     8  0.78    11  1.48  molprobity  1.000  
132  132  ?        -113.8   147.8  Favored     3  102.450     4  0.39     5  1.38  molprobity  1.000  
133  133  p90      -168.8   156.9  Favored     9   84.730    12  0.60    16  0.46  molprobity  1.000  
134  134  p        -118.0   150.7  Favored     5   77.880     6  0.53     8  0.48  molprobity  1.000  
135  135  mt       -120.0   126.2  Favored    11   76.530     8  0.42    11  0.57  molprobity  1.000  
136  136  m-80     -128.2   143.4  Favored     6   88.910     8  0.68    11  0.48  molprobity  1.000  
137  137  ?        -177.5   161.7  Favored     3   73.610     4  0.50     5  0.55  molprobity  1.000  
138  138  ?        -109.6   129.8  Favored     2   68.140     5  0.63     7  0.71  molprobity  1.000  
139  139  pt       -115.9   152.8  Favored    11   76.390     8  0.65    11  0.61  molprobity  1.000  
140  140  mtmm     -104.0   117.7  Favored    13   88.540     9  0.45    11  0.68  molprobity  1.000  
141  141  mtp180    -35.6   -47.0  Allowed    13   85.480    11  0.68    14  1.41  molprobity  1.000  
142  142  p         -60.9   -26.2  Favored     5   72.890     6  0.52     8  0.71  molprobity  1.000  
143  143  m-20      -70.4   -25.0  Favored     4   88.370     8  0.55    11  0.81  molprobity  1.000  
144  144  m-85     -111.8    18.0  Favored     9   82.480    12  0.73    16  0.64  molprobity  1.000  
145  145  mttp       32.2    49.0  Allowed    13   90.650     9  0.59    11  0.91  molprobity  1.000  
146  146  t80       -94.0   144.2  Favored     9   74.540    12  0.84    16  0.61  molprobity  1.000  
147  147  ?          41.6    32.4  Allowed     5   83.650     5  0.68     7  0.90  molprobity  1.000  
148  148  OUTLIER   -47.0   -28.3  Allowed     7   93.870     7  1.24    10  1.29  molprobity  1.000  
149  149  p         -64.8   -36.4  Favored     5  101.970     6  0.72     8  0.55  molprobity  1.000  
150  150  m         -79.9   124.5  Favored     7   94.350     7  0.60    10  0.77  molprobity  1.000  
151  151  t         -66.5   154.1  Favored     5  102.930     6  0.65     8  0.75  molprobity  1.000  
152  152  p         -67.8   -12.5  Favored     7   97.540     7  0.44    10  0.51  molprobity  1.000  
153  153  mt        -75.2   -56.6  Favored    11   84.430     8  0.27    11  0.66  molprobity  1.000  
154  154  m         -61.6   -48.3  Favored     7   91.430     7  1.07    10  0.83  molprobity  1.000  
155  155  tp       -124.1   135.4  Favored    11   84.930     8  0.46    11  1.46  molprobity  1.000  
156  156  t         -62.0   144.2  Favored     5   89.450     6  0.72     8  0.94  molprobity  1.000  
157  157  t0        -66.5   -23.2  Favored     4   76.080     8  0.66    11  1.34  molprobity  1.000  
158  158  m-20      -93.8   131.1  Favored     4   86.200     8  0.72    11  0.84  molprobity  1.000  
159  159  mt       -114.8   129.4  Favored    11   75.660     8  0.38    11  0.74  molprobity  1.000  
160  160  m-20     -100.0   128.9  Favored     6   88.890     8  0.75    11  0.52  molprobity  1.000  
161  161  mt       -108.5   123.1  Favored    11   79.000     8  0.42    11  0.87  molprobity  1.000  
162  162  t-20     -118.6   113.3  Favored     6  103.130     8  0.63    11  0.34  molprobity  1.000  
163  163  mm       -104.9   116.0  Favored    11   77.150     8  0.40    11  0.89  molprobity  1.000  
164  164  tp10     -103.3   128.6  Favored     6  111.030     9  0.52    12  0.48  molprobity  1.000  
165  165  t        -130.1   127.0  Favored     9   85.690     7  0.86    10  0.97  molprobity  1.000  
166  166  ?        -106.3   150.6  Favored     2   91.680     5  0.87     7  1.27  molprobity  1.000  
167  167  ?        -163.1   142.8  Favored     5  101.310     5  0.54     7  0.70  molprobity  1.000  
168  168  m-80     -120.7   151.6  Favored     6   95.850     8  0.39    11  0.61  molprobity  1.000  
169  169  tt0       -66.4   152.8  Favored     6  116.020     9  0.72    12  0.68  molprobity  1.000  
170  170  tttt      -85.4   159.7  Favored    13  132.380     9  0.65    11  0.92  molprobity  1.000  
171  171  ?             ?       ?  ?           2  146.440     4  1.06     4  0.93  molprobity  1.000  
172  172  ?             ?       ?  ?           ?   93.260     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?  134.680     4  0.46     6  0.28  mogul       0.900  
174  174  ?             ?       ?  ?           ?   77.500     4  0.49     6  0.34  mogul       0.450  
175  175  ?             ?       ?  ?           ?  305.210     ?     ?     ?     ?  ?           0.900  
176  176  ?             ?       ?  ?           ?   69.520     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?   94.060     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?   75.430     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?   95.110     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?   71.740     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?   71.480     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?   91.620     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?   81.370     ?     ?     ?     ?  ?           1.000  
184  184  ?             ?       ?  ?           ?   87.200     ?     ?     ?     ?  ?           1.000  
185  185  ?             ?       ?  ?           ?   78.290     ?     ?     ?     ?  ?           1.000  
186  186  ?             ?       ?  ?           ?   66.930     ?     ?     ?     ?  ?           1.000  
187  187  ?             ?       ?  ?           ?   88.020     ?     ?     ?     ?  ?           1.000  
188  188  ?             ?       ?  ?           ?   85.960     ?     ?     ?     ?  ?           1.000  
189  189  ?             ?       ?  ?           ?   83.400     ?     ?     ?     ?  ?           1.000  
190  190  ?             ?       ?  ?           ?   65.950     ?     ?     ?     ?  ?           1.000  
191  191  ?             ?       ?  ?           ?   86.170     ?     ?     ?     ?  ?           1.000  
192  192  ?             ?       ?  ?           ?   77.540     ?     ?     ?     ?  ?           1.000  
193  193  ?             ?       ?  ?           ?   73.370     ?     ?     ?     ?  ?           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    6  HD12   1  0.53  1.72  
 2    6  H      1  0.53  1.72  
 3    6  HD23   2  0.50  1.93  
 4   11  HG21   2  0.50  1.93  
 5   27  HA3    3  0.43  2.00  
 6   40  HB3    4  0.55  1.87  
 7   54  HG21   5  0.53  1.91  
 8   59  HG22   3  0.43  2.00  
 9   59  OG1    6  0.41  2.54  
10   63  HG22   7  0.47  2.14  
11   64  NH1    6  0.41  2.54  
12   68  O      8  0.47  2.14  
13   69  H      9  0.42  1.52  
14   69  HG2    9  0.42  1.52  
15   71  HA    10  0.52  1.92  
16   73  HB2    8  0.47  2.14  
17   74  HB3    5  0.53  1.91  
18   75  HG2   10  0.52  1.92  
19   75  HD3   11  0.45  2.17  
20   82  HE3   12  0.69  1.74  
21   82  HE3   13  0.44  1.98  
22   82  CE    14  0.67  2.24  
23   98  HG3   15  0.45  2.16  
24  101  O     16  0.40  2.21  
25  103  O     17  0.42  2.19  
26  104  HA    18  0.50  2.12  
27  105  HG12  12  0.69  1.74  
28  105  HG12  14  0.67  2.24  
29  105  HG23  13  0.44  1.98  
30  108  O     18  0.50  2.12  
31  109  HA    17  0.42  2.19  
32  111  HA    16  0.40  2.21  
33  121  HG11   4  0.55  1.87  
34  122  HB3   19  0.51  1.92  
35  123  HE3   20  0.48  1.95  
36  129  HG2   20  0.48  1.95  
37  129  HB2   21  0.47  1.97  
38  130  HE3   19  0.51  1.92  
39  169  HB2   21  0.47  1.97  
40  180  O     15  0.45  2.16  
41  188  O      7  0.47  2.14  
42  191  O     11  0.45  2.17  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  6
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       CB
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       CG
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       CD2
_pdbx_vrpt_instance_intra_angle_outliers.obs          101.746
_pdbx_vrpt_instance_intra_angle_outliers.mean         111.000
_pdbx_vrpt_instance_intra_angle_outliers.stdev        1.700
_pdbx_vrpt_instance_intra_angle_outliers.Z            -5.44
#
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  0.897  0.243   1.044  
  2    2   9  0.939  0.169  -0.587  
  3    3   9  0.961  0.220   0.162  
  4    4  12  0.981  0.186   0.152  
  5    5   7  0.970  0.149  -0.294  
  6    6   8  0.975  0.257   0.926  
  7    7   8  0.951  0.205   0.355  
  8    8   9  0.930  0.280   0.678  
  9    9   5  0.949  0.202   0.507  
 10   10  10  0.943  0.187   0.186  
 11   11   7  0.969  0.198   0.420  
 12   12   8  0.975  0.154  -0.326  
 13   13   7  0.988  0.312   1.913  
 14   14   6  0.955  0.098  -0.813  
 15   15  11  0.971  0.221   0.552  
 16   16   9  0.946  0.219  -0.017  
 17   17   8  0.990  0.178  -0.163  
 18   18   9  0.957  0.138  -0.941  
 19   19  10  0.959  0.154  -0.286  
 20   20   8  0.989  0.249   0.813  
 21   21   9  0.960  0.163  -0.400  
 22   22   8  0.962  0.264   1.111  
 23   23   6  0.932  0.208   0.589  
 24   24   8  0.938  0.189   0.172  
 25   25   7  0.984  0.250   1.004  
 26   26   5  0.984  0.094  -1.442  
 27   27   4  0.979  0.105  -0.738  
 28   28   8  0.949  0.149  -0.378  
 29   29  11  0.979  0.285   1.474  
 30   30   5  0.980  0.169  -0.587  
 31   31   8  0.959  0.179   0.008  
 32   32  12  0.958  0.256   1.220  
 33   33   6  0.960  0.110  -0.776  
 34   34   5  0.975  0.139  -0.405  
 35   35   7  0.982  0.255   1.078  
 36   36   8  0.992  0.257   1.007  
 37   37   8  0.955  0.142  -0.486  
 38   38  11  0.984  0.203   0.293  
 39   39   8  0.957  0.119  -0.793  
 40   40   7  0.994  0.164  -0.042  
 41   41   5  0.992  0.155  -0.174  
 42   42   6  0.978  0.128  -0.525  
 43   43   5  0.991  0.226   0.854  
 44   44   9  0.958  0.137  -0.836  
 45   45  11  0.976  0.171  -0.169  
 46   46   9  0.909  0.215  -0.063  
 47   47   9  0.945  0.306   0.975  
 48   48   8  0.982  0.190  -0.024  
 49   49   8  0.980  0.144  -0.459  
 50   50   7  0.987  0.185   0.051  
 51   51   7  0.982  0.145  -0.353  
 52   52   8  0.990  0.198   0.133  
 53   53   9  0.964  0.247   0.302  
 54   54   8  0.985  0.183  -0.089  
 55   55   5  0.985  0.162  -0.072  
 56   56   6  0.978  0.143  -0.316  
 57   57   7  0.980  0.276   1.386  
 58   58   8  0.961  0.143  -0.460  
 59   59   7  0.988  0.134  -0.513  
 60   60   9  0.961  0.231   0.295  
 61   61   8  0.954  0.131  -0.625  
 62   62   9  0.928  0.297   1.281  
 63   63   7  0.971  0.193   0.347  
 64   64  11  0.953  0.173  -0.390  
 65   65   8  0.951  0.188   0.128  
 66   66   8  0.966  0.192   0.213  
 67   67  10  0.958  0.173  -0.014  
 68   68   8  0.955  0.217   0.359  
 69   69   9  0.956  0.176  -0.237  
 70   70   9  0.932  0.171  -0.300  
 71   71   8  0.942  0.207   0.382  
 72   72   8  0.922  0.131  -0.633  
 73   73  11  0.963  0.199   0.235  
 74   74  11  0.978  0.171  -0.169  
 75   75   9  0.948  0.185  -0.405  
 76   76   5  0.977  0.144  -0.333  
 77   77   5  0.984  0.103  -1.340  
 78   78   9  0.979  0.134  -0.986  
 79   79  12  0.983  0.167  -0.137  
 80   80   7  0.978  0.160  -0.099  
 81   81   8  0.912  0.138  -0.539  
 82   82   8  0.965  0.134  -0.570  
 83   83   7  0.980  0.135  -0.499  
 84   84  11  0.991  0.153  -0.428  
 85   85   7  0.988  0.157  -0.178  
 86   86   8  0.983  0.150  -0.333  
 87   87   9  0.972  0.186  -0.393  
 88   88   9  0.963  0.209  -0.131  
 89   89  12  0.978  0.139  -0.564  
 90   90   9  0.979  0.130  -0.921  
 91   91   9  0.954  0.214  -0.074  
 92   92   8  0.991  0.210   0.311  
 93   93   8  0.969  0.151  -0.366  
 94   94   8  0.970  0.211   0.474  
 95   95   9  0.982  0.149  -0.692  
 96   96   9  0.952  0.214  -0.074  
 97   97   4  0.985  0.170   0.125  
 98   98   9  0.967  0.214  -0.074  
 99   99   8  0.982  0.178   0.081  
100  100   7  0.961  0.196   0.391  
101  101   4  0.986  0.137  -0.313  
102  102   7  0.984  0.141  -0.411  
103  103   8  0.984  0.160  -0.450  
104  104   7  0.973  0.135  -0.499  
105  105   8  0.987  0.184  -0.074  
106  106   5  0.975  0.216   0.709  
107  107   4  0.982  0.160  -0.008  
108  108   7  0.982  0.188   0.095  
109  109   6  0.962  0.142  -0.330  
110  110   9  0.972  0.158  -0.713  
111  111   8  0.968  0.130  -0.646  
112  112   8  0.988  0.204   0.222  
113  113   7  0.985  0.226   0.652  
114  114   8  0.983  0.228   0.515  
115  115   8  0.932  0.230   0.689  
116  116   5  0.988  0.182   0.217  
117  117   9  0.960  0.183  -0.283  
118  118   8  0.983  0.222   0.489  
119  119   4  0.948  0.174   0.178  
120  120   4  0.933  0.099  -0.818  
121  121   7  0.983  0.272   1.327  
122  122   5  0.967  0.195   0.405  
123  123   9  0.923  0.216  -0.051  
124  124   4  0.894  0.253   1.227  
125  125   9  0.835  0.195  -0.291  
126  126   8  0.879  0.135  -0.579  
127  127   4  0.960  0.070  -1.203  
128  128   9  0.935  0.235   0.165  
129  129   9  0.935  0.198  -0.102  
130  130   9  0.938  0.208  -0.143  
131  131   8  0.977  0.278   1.319  
132  132   4  0.975  0.148  -0.167  
133  133  11  0.975  0.235   0.754  
134  134   6  0.986  0.162  -0.052  
135  135   8  0.988  0.234   0.600  
136  136   8  0.972  0.205   0.391  
137  137   4  0.962  0.228   0.895  
138  138   5  0.986  0.250   0.336  
139  139   8  0.987  0.227   0.563  
140  140   9  0.961  0.194  -0.302  
141  141  11  0.977  0.194  -0.128  
142  142   6  0.982  0.181   0.213  
143  143   8  0.957  0.152  -0.352  
144  144  11  0.990  0.204   0.307  
145  145   9  0.966  0.216  -0.051  
146  146  11  0.966  0.184   0.019  
147  147   5  0.976  0.141  -0.376  
148  148   7  0.972  0.184   0.216  
149  149   6  0.969  0.123  -0.595  
150  150   7  0.958  0.172   0.041  
151  151   6  0.968  0.099  -0.929  
152  152   7  0.979  0.176   0.099  
153  153   8  0.987  0.244   0.815  
154  154   7  0.976  0.138  -0.455  
155  155   8  0.985  0.237   0.643  
156  156   6  0.960  0.134  -0.442  
157  157   8  0.975  0.149  -0.393  
158  158   8  0.969  0.181   0.035  
159  159   8  0.992  0.243   0.800  
160  160   8  0.974  0.182   0.076  
161  161   8  0.989  0.223   0.444  
162  162   8  0.933  0.175  -0.021  
163  163   8  0.983  0.220   0.459  
164  164   9  0.949  0.163  -0.523  
165  165   7  0.967  0.201   0.286  
166  166   5  0.922  0.111  -1.149  
167  167   5  0.968  0.250   1.201  
168  168   8  0.979  0.160  -0.227  
169  169   9  0.910  0.141  -0.788  
170  170   9  0.866  0.432   2.412  
171  171   5  0.619  0.285   0.945  
172  172  17  0.870  0.563       ?  
173  173   5  0.863  0.178       ?  
174  174   5  0.928  0.254       ?  
175  175   1  0.899  0.067       ?  
176  176   1  0.965  0.152       ?  
177  177   1  0.785  0.584       ?  
178  178   1  0.936  0.382       ?  
179  179   1  0.436  0.394       ?  
180  180   1  0.693  0.474       ?  
181  181   1  0.806  0.681       ?  
182  182   1  0.913  1.144       ?  
183  183   1  0.436  0.312       ?  
184  184   1  0.700  0.388       ?  
185  185   1  0.723  0.078       ?  
186  186   1  0.783  0.429       ?  
187  187   1  0.829  0.116       ?  
188  188   1  0.455  0.273       ?  
189  189   1  0.397  0.172       ?  
190  190   1  0.348  0.507       ?  
191  191   1  0.153  0.476       ?  
192  192   1  0.528  0.171       ?  
193  193   1  0.893  0.691       ?  
#
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  
##
