data_7OXK

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7OXK
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7OXK
_pdbx_vrpt_summary.PDB_deposition_date         2021-06-22
_pdbx_vrpt_summary.PDB_revision_number         1
_pdbx_vrpt_summary.PDB_revision_date           2022-03-16
_pdbx_vrpt_summary.report_creation_date        2022-03-10:01:23
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer  "Peptidyl-prolyl cis-trans isomerase"  
2  polymer  "30S ribosomal protein S2"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
E  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.8  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   31.34  141614     ?     ?  
 2  2  1   60.61    3569  2.80  2.80  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3498  2.80  2.80  
 5  1  3   83.60  138945     ?     ?  
 6  2  3   95.29    3500  2.80  2.80  
 7  1  4   51.21  127900     ?     ?  
 8  2  4   41.42    3078  2.80  2.80  
 9  1  5   46.99  130704     ?     ?  
10  2  5   82.22    3140  2.80  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  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A   87.36  
 6  8  4  A  1  1  A   83.69  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B  100.00  
10  6  3  B  1  2  B  100.00  
11  7  4  B  1  2  B   15.51  
12  8  4  B  1  2  B    8.77  
13  3  2  C  1  2  C  100.00  
14  4  2  C  1  2  C  100.00  
15  5  3  C  1  2  C    7.33  
16  6  3  C  1  2  C   22.46  
17  7  4  C  1  2  C    0.23  
18  8  4  C  1  2  C    0.16  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.54  0.36  1185  1615  
2  1  2  B  B  0.52  0.29   116   153  
3  1  2  C  C  0.78  0.52    97   128  
4  1  3  D  A     ?     ?     ?     ?  
5  1  3  E  B     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.70
_pdbx_vrpt_summary_geometry.clashscore                     8.99
_pdbx_vrpt_summary_geometry.num_H_reduce                   1324
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1398
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.37
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1896
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.56
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         100.455
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.33(2.81A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8584
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.500
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.332
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.949
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.80
_pdbx_vrpt_summary_diffraction.EDS_res_low               47.36
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[99.643,99.643,102.185,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.025
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 5.73% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.90
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      452
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.27
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.86
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.80
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        47.36
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.23
#
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  MET  A    1  .  ?        1  
  2  1  1  A    2  LYS  A    2  .  ?        ?  
  3  1  1  A    3  VAL  A    3  .  ?        1  
  4  1  1  A    4  GLY  A    4  .  ?        ?  
  5  1  1  A    5  GLN  A    5  .  ?        ?  
  6  1  1  A    6  ASP  A    6  .  ?        ?  
  7  1  1  A    7  LYS  A    7  .  ?        ?  
  8  1  1  A    8  VAL  A    8  .  ?        ?  
  9  1  1  A    9  VAL  A    9  .  ?        1  
 10  1  1  A   10  THR  A   10  .  ?        1  
 11  1  1  A   11  ILE  A   11  .  ?        1  
 12  1  1  A   12  ARG  A   12  .  ?        ?  
 13  1  1  A   13  TYR  A   13  .  ?        ?  
 14  1  1  A   14  THR  A   14  .  ?        ?  
 15  1  1  A   15  LEU  A   15  .  ?        ?  
 16  1  1  A   16  GLN  A   16  .  ?        1  
 17  1  1  A   17  VAL  A   17  .  ?        1  
 18  1  1  A   18  GLU  A   18  .  ?        ?  
 19  1  1  A   19  GLY  A   19  .  ?        ?  
 20  1  1  A   20  GLU  A   20  .  ?        ?  
 21  1  1  A   21  VAL  A   21  .  ?        ?  
 22  1  1  A   22  LEU  A   22  .  ?        1  
 23  1  1  A   23  ASP  A   23  .  ?        ?  
 24  1  1  A   24  GLN  A   24  .  ?        ?  
 25  1  1  A   25  GLY  A   25  .  ?        ?  
 26  1  1  A   26  GLU  A   26  .  ?        ?  
 27  1  1  A   27  LEU  A   27  .  ?        1  
 28  1  1  A   28  SER  A   28  .  ?        ?  
 29  1  1  A   29  TYR  A   29  .  ?        ?  
 30  1  1  A   30  LEU  A   30  .  ?        ?  
 31  1  1  A   31  HIS  A   31  .  ?        ?  
 32  1  1  A   32  GLY  A   32  .  ?        ?  
 33  1  1  A   33  HIS  A   33  .  ?        ?  
 34  1  1  A   34  ARG  A   34  .  ?        ?  
 35  1  1  A   35  ASN  A   35  .  ?        ?  
 36  1  1  A   36  LEU  A   36  .  ?        ?  
 37  1  1  A   37  ILE  A   37  .  ?        1  
 38  1  1  A   38  PRO  A   38  .  ?        2  
 39  1  1  A   39  GLY  A   39  .  ?        1  
 40  1  1  A   40  LEU  A   40  .  ?        ?  
 41  1  1  A   41  GLU  A   41  .  ?        ?  
 42  1  1  A   42  GLU  A   42  .  ?        1  
 43  1  1  A   43  ALA  A   43  .  ?        ?  
 44  1  1  A   44  LEU  A   44  .  ?        ?  
 45  1  1  A   45  GLU  A   45  .  ?        ?  
 46  1  1  A   46  GLY  A   46  .  ?        ?  
 47  1  1  A   47  ARG  A   47  .  ?        ?  
 48  1  1  A   48  GLU  A   48  .  ?        1  
 49  1  1  A   49  GLU  A   49  .  ?        2  
 50  1  1  A   50  GLY  A   50  .  ?        ?  
 51  1  1  A   51  GLU  A   51  .  ?        ?  
 52  1  1  A   52  ALA  A   52  .  ?        ?  
 53  1  1  A   53  PHE  A   53  .  ?        ?  
 54  1  1  A   54  GLN  A   54  .  ?        ?  
 55  1  1  A   55  ALA  A   55  .  ?        ?  
 56  1  1  A   56  HIS  A   56  .  ?        ?  
 57  1  1  A   57  VAL  A   57  .  ?        1  
 58  1  1  A   58  PRO  A   58  .  ?        ?  
 59  1  1  A   59  ALA  A   59  .  ?        ?  
 60  1  1  A   60  GLU  A   60  .  ?        ?  
 61  1  1  A   61  LYS  A   61  .  ?        ?  
 62  1  1  A   62  ALA  A   62  .  ?        ?  
 63  1  1  A   63  TYR  A   63  .  ?        ?  
 64  1  1  A   64  GLY  A   64  .  ?        ?  
 65  1  1  A   65  PRO  A   65  .  ?        ?  
 66  1  1  A   66  HIS  A   66  .  ?        ?  
 67  1  1  A   67  ASP  A   67  .  ?        ?  
 68  1  1  A   68  PRO  A   68  .  ?        ?  
 69  1  1  A   69  GLU  A   69  .  ?        ?  
 70  1  1  A   70  GLY  A   70  .  ?        ?  
 71  1  1  A   71  VAL  A   71  .  ?        ?  
 72  1  1  A   72  GLN  A   72  .  ?        1  
 73  1  1  A   73  VAL  A   73  .  ?        ?  
 74  1  1  A   74  VAL  A   74  .  ?        ?  
 75  1  1  A   75  PRO  A   75  .  ?        ?  
 76  1  1  A   76  LEU  A   76  .  ?        2  
 77  1  1  A   77  SER  A   77  .  ?        ?  
 78  1  1  A   78  ALA  A   78  .  ?        ?  
 79  1  1  A   79  PHE  A   79  .  ?        ?  
 80  1  1  A   80  PRO  A   80  .  ?        ?  
 81  1  1  A   81  GLU  A   81  .  ?        ?  
 82  1  1  A   82  ASP  A   82  .  ?        ?  
 83  1  1  A   83  ALA  A   83  .  ?        ?  
 84  1  1  A   84  GLU  A   84  .  ?        ?  
 85  1  1  A   85  VAL  A   85  .  ?        2  
 86  1  1  A   86  VAL  A   86  .  ?        ?  
 87  1  1  A   87  PRO  A   87  .  ?        ?  
 88  1  1  A   88  GLY  A   88  .  ?        ?  
 89  1  1  A   89  ALA  A   89  .  ?        ?  
 90  1  1  A   90  GLN  A   90  .  ?        ?  
 91  1  1  A   91  PHE  A   91  .  ?        1  
 92  1  1  A   92  TYR  A   92  .  ?        ?  
 93  1  1  A   93  ALA  A   93  .  ?        ?  
 94  1  1  A   94  GLN  A   94  .  ?        ?  
 95  1  1  A   95  ASP  A   95  .  ?        ?  
 96  1  1  A   96  MET  A   96  .  ?        ?  
 97  1  1  A   97  GLU  A   97  .  ?        ?  
 98  1  1  A   98  GLY  A   98  .  ?        ?  
 99  1  1  A   99  ASN  A   99  .  ?        ?  
100  1  1  A  100  PRO  A  100  .  ?        ?  
101  1  1  A  101  MET  A  101  .  ?        ?  
102  1  1  A  102  PRO  A  102  .  ?        ?  
103  1  1  A  103  LEU  A  103  .  ?        4  
104  1  1  A  104  THR  A  104  .  ?        ?  
105  1  1  A  105  VAL  A  105  .  ?        ?  
106  1  1  A  106  VAL  A  106  .  ?        ?  
107  1  1  A  107  ALA  A  107  .  ?        ?  
108  1  1  A  108  VAL  A  108  .  ?        2  
109  1  1  A  109  GLU  A  109  .  ?        ?  
110  1  1  A  110  GLY  A  110  .  ?        ?  
111  1  1  A  111  GLU  A  111  .  ?        ?  
112  1  1  A  112  GLU  A  112  .  ?        ?  
113  1  1  A  113  VAL  A  113  .  ?        ?  
114  1  1  A  114  THR  A  114  .  ?        ?  
115  1  1  A  115  VAL  A  115  .  ?        3  
116  1  1  A  116  ASP  A  116  .  ?        ?  
117  1  1  A  117  PHE  A  117  .  ?        ?  
118  1  1  A  118  ASN  A  118  .  ?        ?  
119  1  1  A  119  HIS  A  119  .  ?        ?  
120  1  1  A  120  PRO  A  120  .  ?        ?  
121  1  1  A  121  LEU  A  121  .  ?        ?  
122  1  1  A  122  ALA  A  122  .  ?        ?  
123  1  1  A  123  GLY  A  123  .  ?        ?  
124  1  1  A  124  LYS  A  124  .  ?        ?  
125  1  1  A  125  ASP  A  125  .  ?        ?  
126  1  1  A  126  LEU  A  126  .  ?        ?  
127  1  1  A  127  ASP  A  127  .  ?        1  
128  1  1  A  128  PHE  A  128  .  ?        ?  
129  1  1  A  129  GLN  A  129  .  ?        ?  
130  1  1  A  130  VAL  A  130  .  ?        ?  
131  1  1  A  131  GLU  A  131  .  ?        ?  
132  1  1  A  132  VAL  A  132  .  ?        1  
133  1  1  A  133  VAL  A  133  .  ?        ?  
134  1  1  A  134  LYS  A  134  .  ?        1  
135  1  1  A  135  VAL  A  135  .  ?        2  
136  1  1  A  136  ARG  A  136  .  ?        ?  
137  1  1  A  137  GLU  A  137  .  ?        ?  
138  1  1  A  138  ALA  A  138  .  ?        ?  
139  1  1  A  139  THR  A  139  .  ?        ?  
140  1  1  A  140  PRO  A  140  .  ?        ?  
141  1  1  A  141  GLU  A  141  .  ?        2  
142  1  1  A  142  GLU  A  142  .  ?        ?  
143  1  1  A  143  LEU  A  143  .  ?        ?  
144  1  1  A  144  LEU  A  144  .  ?        ?  
145  1  1  A  145  HIS  A  145  .  ?        ?  
146  1  1  A  146  GLY  A  146  .  ?        ?  
147  1  1  A  147  HIS  A  147  .  ?        ?  
148  1  1  A  148  ALA  A  148  .  ?        ?  
149  1  1  A  149  HIS  A  149  .  ?        ?  
150  1  1  A  150  PRO  A  150  .  ?        ?  
151  1  2  B    2  ARG  B    2  .  ?        ?  
152  1  2  B    3  TYR  B    3  .  ?        ?  
153  1  2  B    4  LYS  B    4  .  ?        2  
154  1  2  B    5  ASN  B    5  .  ?        ?  
155  1  2  B    6  ALA  B    6  .  ?        ?  
156  1  2  B    7  LYS  B    7  .  ?        ?  
157  1  2  B    8  MET  B    8  .  ?        2  
158  1  2  B    9  LEU  B    9  .  ?        1  
159  1  2  B   10  PRO  B   10  .  ?        ?  
160  1  2  B   11  PHE  B   11  .  ?        ?  
161  1  2  B   12  ALA  B   12  .  ?        ?  
162  1  2  B   13  PHE  B   13  .  ?        ?  
163  1  2  B   14  GLY  B   14  .  ?        ?  
164  1  2  B   15  ALA  B   15  .  ?        ?  
165  1  2  C    1  THR  C    1  .  ?        1  
166  1  2  C    2  ARG  C    2  .  ?        ?  
167  1  2  C    3  TYR  C    3  .  ?        ?  
168  1  2  C    4  LYS  C    4  .  ?        ?  
169  1  2  C    5  ASN  C    5  .  ?        ?  
170  1  2  C    6  ALA  C    6  .  ?        ?  
171  1  2  C    7  LYS  C    7  .  ?        ?  
172  1  2  C    8  MET  C    8  .  ?        2  
173  1  2  C    9  LEU  C    9  .  ?        ?  
174  1  2  C   10  PRO  C   10  .  ?        ?  
175  1  2  C   11  PHE  C   11  .  ?        ?  
176  1  3  D    .  HOH  A  201  .  ?        ?  
177  1  3  D    .  HOH  A  202  .  ?        ?  
178  1  3  E    .  HOH  B  101  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.cis_peptide
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ttp           ?       ?  ?        ?       11  127.030     8  0.22    10  0.45  molprobity  1.000  
  2    2  mtpp     -108.2   150.8  Favored  ?       13  110.460     9  0.26    11  0.41  molprobity  1.000  
  3    3  t         -66.1   123.0  Favored  ?        9   87.740     7  0.27    10  0.37  molprobity  1.000  
  4    4  ?        -158.0  -169.8  Favored  ?        3   86.140     4  0.50     5  0.74  molprobity  1.000  
  5    5  tp60      -61.3   143.6  Favored  ?        8   86.450     9  0.24    12  0.52  molprobity  1.000  
  6    6  m-20       63.0    16.1  Favored  ?        4  105.930     8  0.28    11  0.43  molprobity  1.000  
  7    7  mmtm      -97.9   128.6  Favored  ?       13   89.630     9  0.28    11  0.39  molprobity  1.000  
  8    8  t         -74.5   120.1  Favored  ?        9   80.550     7  0.35    10  0.52  molprobity  1.000  
  9    9  t        -118.2   124.1  Favored  ?        9   81.770     7  0.31    10  0.47  molprobity  1.000  
 10   10  t        -107.2   136.2  Favored  ?        7   96.030     7  0.42    10  0.68  molprobity  1.000  
 11   11  pt       -143.7   148.6  Favored  ?       11   96.080     8  0.23    11  0.67  molprobity  1.000  
 12   12  mtm-85    -93.6   148.9  Favored  ?       13  131.160    11  0.25    14  0.41  molprobity  1.000  
 13   13  p90      -151.0   158.1  Favored  ?        9  109.780    13  0.25    18  0.46  molprobity  1.000  
 14   14  t        -142.7   135.8  Favored  ?        7  127.060     7  0.24    10  0.59  molprobity  1.000  
 15   15  tp       -108.0   125.4  Favored  ?       11  105.920     8  0.22    11  0.34  molprobity  1.000  
 16   16  mm100    -105.5   125.5  Favored  ?        8  139.750     9  0.25    12  0.37  molprobity  1.000  
 17   17  t        -126.5   120.5  Favored  ?        9  115.560     7  0.20    10  0.54  molprobity  1.000  
 18   18  mm-40      61.1    38.9  Favored  ?        6  165.240     9  0.29    12  0.35  molprobity  1.000  
 19   19  ?          73.1   -13.0  Favored  ?        3  140.020     4  0.35     5  0.64  molprobity  1.000  
 20   20  tt0       -90.7   149.2  Favored  ?        6  153.640     9  0.23    12  0.51  molprobity  1.000  
 21   21  t         -90.0   132.6  Favored  ?        9  136.540     7  0.23    10  0.38  molprobity  1.000  
 22   22  mp       -119.0   -27.5  Favored  ?       11  153.900     8  0.27    11  0.60  molprobity  1.000  
 23   23  t70      -158.8   157.1  Favored  ?        4  152.670     8  0.22    11  0.62  molprobity  1.000  
 24   24  pt20     -145.5   142.2  Favored  ?        8  133.260     9  0.20    12  0.63  molprobity  1.000  
 25   25  ?        -175.8  -160.1  Favored  ?        3  113.940     4  0.37     5  0.71  molprobity  1.000  
 26   26  tt0      -149.5   132.8  Favored  ?        6  130.040     9  0.31    12  0.64  molprobity  1.000  
 27   27  pt?      -156.7   157.1  Favored  ?       11   94.300     8  0.19    11  0.60  molprobity  1.000  
 28   28  m        -123.9   135.6  Favored  ?        5   88.020     6  0.33     8  0.44  molprobity  1.000  
 29   29  p90      -135.8   154.8  Favored  ?        9   74.930    13  0.25    18  0.38  molprobity  1.000  
 30   30  tp        -83.1   118.1  Favored  ?       11   64.320     8  0.26    11  0.37  molprobity  1.000  
 31   31  t60       -75.3   133.0  Favored  ?        7   73.610    11  0.20    15  0.16  molprobity  1.000  
 32   32  ?          92.1     9.5  Favored  ?        3   64.930     4  0.31     5  0.73  molprobity  1.000  
 33   33  m-70     -118.5    24.2  Favored  ?        7   76.290    11  0.15    15  0.25  molprobity  1.000  
 34   34  mtm180     59.2    46.7  Favored  ?       13   79.170    11  0.19    14  0.36  molprobity  1.000  
 35   35  m-20     -104.2   -18.3  Favored  ?        6   73.040     8  0.23    11  0.46  molprobity  1.000  
 36   36  tp       -114.8   159.5  Favored  ?       11   74.760     8  0.19    11  0.72  molprobity  1.000  
 37   37  pt        -64.2   143.8  Favored  ?       11   76.280     8  0.46    12  0.36  molprobity  1.000  
 38   38  Cg_exo    -50.6   -51.6  Favored  ?        7   71.040     8  0.31    11  0.55  molprobity  1.000  
 39   39  ?         -57.6   -44.7  Favored  ?        3   86.050     4  0.15     5  0.36  molprobity  1.000  
 40   40  tp        -63.3   -39.2  Favored  ?       11   83.500     8  0.21    11  0.38  molprobity  1.000  
 41   41  tt0       -64.6   -45.5  Favored  ?        6   89.460     9  0.52    12  0.29  molprobity  1.000  
 42   42  mt-10     -60.7   -35.0  Favored  ?        6  115.270     9  0.36    12  0.36  molprobity  1.000  
 43   43  ?         -68.1   -40.5  Favored  ?        5   89.900     5  0.27     7  0.19  molprobity  1.000  
 44   44  mt        -79.6   -14.1  Favored  ?       11   79.460     8  0.18    11  0.49  molprobity  1.000  
 45   45  tp10      -62.3   130.1  Favored  ?        6   98.150     9  0.29    12  0.29  molprobity  1.000  
 46   46  ?          87.1   -14.0  Favored  ?        3  108.030     4  0.43     5  0.63  molprobity  1.000  
 47   47  mmt180    -66.7   156.5  Favored  ?       13  107.740    11  0.17    14  0.47  molprobity  1.000  
 48   48  tp10     -118.2   148.2  Favored  ?        6  142.660     9  0.23    12  0.47  molprobity  1.000  
 49   49  mt-10     -41.6   131.3  Favored  ?        6  139.810     9  0.26    12  0.44  molprobity  1.000  
 50   50  ?          96.7   -18.5  Favored  ?        3  137.420     4  0.43     5  0.49  molprobity  1.000  
 51   51  mt-10     -65.6   160.1  Favored  ?        6  130.910     9  0.22    12  0.46  molprobity  1.000  
 52   52  ?        -149.5   143.4  Favored  ?        5  127.940     5  0.32     7  0.65  molprobity  1.000  
 53   53  p90      -163.5   158.4  Favored  ?        9  110.600    12  0.32    16  0.43  molprobity  1.000  
 54   54  mp0       -90.4   150.3  Favored  ?        8  140.010     9  0.28    12  0.41  molprobity  1.000  
 55   55  ?        -146.2   126.3  Favored  ?        5  104.640     5  0.29     7  0.46  molprobity  1.000  
 56   56  t60      -101.4   120.3  Favored  ?        7  116.390    11  0.19    15  0.30  molprobity  1.000  
 57   57  t        -118.6   108.1  Favored  ?        9   90.190     7  0.36    11  0.40  molprobity  1.000  
 58   58  Cg_exo    -62.6   165.4  Favored  ?        7   98.820     8  0.16    11  0.47  molprobity  1.000  
 59   59  ?         -61.4   -37.3  Favored  ?        5   84.030     5  0.25     7  0.26  molprobity  1.000  
 60   60  tt0       -57.9   -39.2  Favored  ?        6  132.250     9  0.24    12  0.25  molprobity  1.000  
 61   61  mttp      -90.0    11.2  Favored  ?       13  101.240     9  0.24    11  0.43  molprobity  1.000  
 62   62  ?        -161.2    99.9  Allowed  ?        5   91.500     5  0.20     7  0.82  molprobity  1.000  
 63   63  m-85       68.7     1.6  Favored  ?        9   78.840    13  0.21    18  0.55  molprobity  1.000  
 64   64  ?          76.2   178.4  Favored  ?        3   86.240     4  0.55     6  0.59  molprobity  1.000  
 65   65  Cg_endo   -81.3   171.3  Favored  ?        7   92.670     8  0.14    11  0.45  molprobity  1.000  
 66   66  t-80      -86.9   124.2  Favored  ?        7  107.790    11  0.18    15  0.26  molprobity  1.000  
 67   67  t70       -94.1   120.6  Favored  ?        4  121.380     8  0.32    12  0.33  molprobity  1.000  
 68   68  Cg_exo    -65.3   -34.3  Favored  ?        7  129.620     8  0.30    11  0.31  molprobity  1.000  
 69   69  mt-10     -73.2     5.0  Favored  ?        6  154.450     9  0.26    12  0.62  molprobity  1.000  
 70   70  ?         -85.4    11.4  Favored  ?        3  102.260     4  0.37     5  0.40  molprobity  1.000  
 71   71  t        -125.3   120.7  Favored  ?        9  103.560     7  0.54    10  0.38  molprobity  1.000  
 72   72  pm0      -153.3   176.0  Favored  ?        8  138.500     9  0.26    12  0.63  molprobity  1.000  
 73   73  m        -111.9   133.8  Favored  ?        9  124.350     7  0.19    10  0.47  molprobity  1.000  
 74   74  p        -125.5   136.6  Favored  ?        9  139.670     7  0.24    11  0.55  molprobity  1.000  
 75   75  Cg_exo    -63.7   152.2  Favored  ?        7  139.050     8  0.11    11  0.36  molprobity  1.000  
 76   76  tt        -61.2   -20.8  Favored  ?       11  141.540     8  0.23    11  0.67  molprobity  1.000  
 77   77  m         -54.1   -25.1  Favored  ?        5  162.340     6  0.21     8  0.24  molprobity  1.000  
 78   78  ?         -85.1    -7.5  Favored  ?        5  156.570     5  0.62     7  1.11  molprobity  1.000  
 79   79  m-85      -92.8   154.9  Favored  ?        9  123.740    12  0.49    17  0.26  molprobity  1.000  
 80   80  Cg_exo    -60.6   126.1  Favored  ?        7  151.200     8  0.16    11  0.33  molprobity  1.000  
 81   81  mm-40     -54.6   -39.2  Favored  ?        6  205.620     9  0.23    12  0.30  molprobity  1.000  
 82   82  p-10      -59.8   -35.4  Favored  ?        4  224.040     8  0.35    11  0.57  molprobity  1.000  
 83   83  ?         -86.9   157.6  Favored  ?        5  208.210     5  0.29     7  0.41  molprobity  1.000  
 84   84  mm-40    -113.5   127.0  Favored  ?        6  182.020     9  0.62    12  0.66  molprobity  1.000  
 85   85  m         -86.4   122.4  Favored  ?        9  130.310     7  0.25    10  0.74  molprobity  1.000  
 86   86  p        -152.2   132.8  Favored  ?        9  144.250     7  0.23    11  0.61  molprobity  1.000  
 87   87  Cg_endo   -49.8   118.7  Favored  ?        7  117.890     8  0.28    11  0.32  molprobity  1.000  
 88   88  ?         115.7   -26.5  Favored  ?        3  127.170     4  0.42     5  0.32  molprobity  1.000  
 89   89  ?         -68.0   152.1  Favored  ?        5  127.200     5  0.27     7  0.41  molprobity  1.000  
 90   90  mt-30    -126.2   134.5  Favored  ?        8  126.760     9  0.24    12  0.39  molprobity  1.000  
 91   91  m-85     -132.6   172.8  Favored  ?        9  114.990    12  0.46    16  0.46  molprobity  1.000  
 92   92  m-85     -111.3   139.3  Favored  ?        9  115.200    13  0.29    18  0.51  molprobity  1.000  
 93   93  ?        -115.9   178.0  Favored  ?        5  120.590     5  0.37     7  0.72  molprobity  1.000  
 94   94  mp0      -125.9   141.2  Favored  ?        8  189.500     9  0.45    12  0.55  molprobity  1.000  
 95   95  p30       -84.2   177.5  Favored  ?        4  192.560     8  0.64    11  1.27  molprobity  1.000  
 96   96  mmm       -61.5   -39.6  Favored  ?        9  205.270     8  0.48    10  0.70  molprobity  1.000  
 97   97  mt-10     -64.6   -25.0  Favored  ?        6  193.720     9  0.51    12  0.52  molprobity  0.778  
 98   98  ?          99.0    -5.6  Favored  ?        3  211.930     4  0.72     5  0.91  molprobity  1.000  
 99   99  m120      -65.4   146.1  Favored  ?        6  160.390     8  0.38    12  0.68  molprobity  0.750  
100  100  Cg_endo   -69.7   157.2  Favored  ?        7  153.920     8  0.76    11  1.04  molprobity  1.000  
101  101  mtp      -136.4   106.1  Favored  ?        9  139.860     8  0.61    11  0.54  molprobity  1.000  
102  102  Cg_endo   -70.3   155.7  Favored  ?        7   95.620     8  0.18    11  0.42  molprobity  1.000  
103  103  pp       -152.2   156.6  Favored  ?       11  104.070     8  0.27    11  0.82  molprobity  1.000  
104  104  m        -129.5   120.3  Favored  ?        7  105.120     7  0.18    10  0.66  molprobity  1.000  
105  105  p         -72.7   132.3  Favored  ?        9  107.940     7  0.29    10  0.38  molprobity  1.000  
106  106  m        -101.4   -32.0  Favored  ?        9  106.010     7  0.18    10  0.49  molprobity  1.000  
107  107  ?        -163.7   150.2  Favored  ?        5  125.190     5  0.76     7  0.62  molprobity  1.000  
108  108  m        -118.5   126.9  Favored  ?        9  126.440     7  0.56    10  0.86  molprobity  1.000  
109  109  mt-10    -128.1    75.0  Allowed  ?        6  136.250     9  0.52    12  0.81  molprobity  1.000  
110  110  ?          63.2  -127.2  Favored  ?        3  145.940     4  0.79     5  0.78  molprobity  1.000  
111  111  mt-10     -64.6   -20.2  Favored  ?        6  168.590     9  0.43    12  0.77  molprobity  1.000  
112  112  mt-10    -101.0   131.3  Favored  ?        6  153.940     9  0.57    12  0.50  molprobity  1.000  
113  113  t        -120.3   132.1  Favored  ?        9  112.930     7  0.62    10  0.77  molprobity  1.000  
114  114  m        -103.8   130.9  Favored  ?        7  107.550     7  0.40    10  0.91  molprobity  1.000  
115  115  p        -135.1   152.7  Favored  ?        9  107.130     7  0.54    10  1.05  molprobity  1.000  
116  116  t0       -117.3   121.5  Favored  ?        4  112.510     8  0.59    11  0.86  molprobity  1.000  
117  117  m-85      -83.6    -9.1  Favored  ?        9  105.350    12  0.39    16  0.38  molprobity  1.000  
118  118  m-80      -68.5   158.5  Favored  ?        6   97.370     8  0.30    11  0.48  molprobity  1.000  
119  119  t-80      -63.5   140.4  Favored  ?        7   83.120    11  0.23    16  0.26  molprobity  1.000  
120  120  Cg_exo    -55.0   -23.2  Favored  ?        7   81.630     8  0.20    11  0.45  molprobity  1.000  
121  121  mt       -107.0    25.3  Favored  ?       11   85.350     8  0.20    11  0.26  molprobity  1.000  
122  122  ?         -71.4   142.4  Favored  ?        5   89.730     5  0.28     7  0.37  molprobity  1.000  
123  123  ?          66.5     8.2  Favored  ?        3  102.340     4  0.34     5  0.53  molprobity  1.000  
124  124  mmpt?    -110.1   126.8  Favored  ?       13  105.560     9  0.37    11  0.42  molprobity  1.000  
125  125  m-20      -78.9   150.3  Favored  ?        4  118.310     8  0.25    11  0.39  molprobity  1.000  
126  126  mt       -118.0   142.8  Favored  ?       11   99.410     8  0.21    11  0.75  molprobity  1.000  
127  127  m-20     -124.8   127.0  Favored  ?        4  122.460     8  0.18    11  0.43  molprobity  1.000  
128  128  m-85     -122.5   133.2  Favored  ?        9   97.620    12  0.34    16  0.32  molprobity  1.000  
129  129  tt0      -104.3   108.8  Favored  ?        8  149.280     9  0.27    12  0.63  molprobity  1.000  
130  130  p        -125.0   136.9  Favored  ?        9  105.300     7  0.25    10  0.33  molprobity  1.000  
131  131  pt-20    -123.5   138.3  Favored  ?        6  133.800     9  0.39    12  0.59  molprobity  1.000  
132  132  p         -89.9   108.6  Favored  ?        9  112.250     7  0.20    10  0.53  molprobity  1.000  
133  133  p         -83.9   -34.4  Favored  ?        9  123.760     7  0.33    10  0.80  molprobity  1.000  
134  134  tttt     -158.8   147.4  Favored  ?       13  109.400     9  0.21    11  0.58  molprobity  1.000  
135  135  m        -123.8   138.3  Favored  ?        9  108.680     7  0.47    10  0.56  molprobity  1.000  
136  136  ptt85    -147.6   160.2  Favored  ?       13   96.140    11  0.22    14  0.58  molprobity  1.000  
137  137  tt0       -80.1   141.4  Favored  ?        6  123.930     9  0.32    12  0.38  molprobity  1.000  
138  138  ?         -72.3   154.9  Favored  ?        5   83.650     5  1.27     7  0.53  molprobity  1.000  
139  139  p         -86.2   153.6  Favored  ?        7   93.180     7  0.26    11  0.53  molprobity  1.000  
140  140  Cg_exo    -49.4   -42.4  Favored  ?        7   89.390     8  0.23    11  0.41  molprobity  1.000  
141  141  mp0       -66.8   -36.5  Favored  ?        6  119.310     9  0.47    12  0.41  molprobity  1.000  
142  142  mt-10     -64.3   -38.6  Favored  ?        6   80.610     9  0.21    12  0.28  molprobity  1.000  
143  143  mt        -68.2   -36.1  Favored  ?       11   74.600     8  0.22    11  0.20  molprobity  1.000  
144  144  mt        -67.5   -31.1  Favored  ?       11   77.880     8  0.22    11  0.34  molprobity  1.000  
145  145  m80       -95.7   -14.9  Favored  ?        7   95.870    11  0.15    15  0.41  molprobity  1.000  
146  146  ?          82.4    -2.0  Favored  ?        3   78.340     4  0.66     5  0.93  molprobity  1.000  
147  147  m80      -134.8   157.6  Favored  ?        7   93.570    11  0.50    15  0.65  molprobity  1.000  
148  148  ?         -75.7   153.7  Favored  ?        5   89.170     5  0.96     7  0.71  molprobity  1.000  
149  149  t60       -62.7   -48.4  Favored  ?        7  156.960    11  0.47    16  1.01  molprobity  1.000  
150  150  Cg_endo       ?       ?  ?        ?        7  166.420     7  0.70     8  0.92  molprobity  1.000  
151  151  ttt85         ?       ?  ?        ?       12  165.360    11  0.18    14  0.34  molprobity  0.545  
152  152  m-85      -87.9    96.8  Favored  ?        9  156.980    13  0.26    18  0.56  molprobity  1.000  
153  153  ttpt      -66.7   -47.4  Favored  ?       13  153.540     9  0.30    11  0.50  molprobity  1.000  
154  154  m-20      -86.7    20.5  Favored  ?        6  126.410     8  0.26    11  0.39  molprobity  1.000  
155  155  ?         -64.5   -43.4  Favored  ?        5  106.630     5  0.26     7  0.37  molprobity  1.000  
156  156  ttpt     -105.8    19.6  Favored  ?       13  104.470     9  0.25    11  0.38  molprobity  1.000  
157  157  mtm       -84.7   146.6  Favored  ?        9   89.570     8  0.27    10  0.39  molprobity  1.000  
158  158  mt        -66.1   162.7  Favored  Y       11   78.480     8  0.29    12  0.94  molprobity  1.000  
159  159  Cg_exo    -70.1   -31.6  Favored  ?        7   89.640     8  0.26    11  0.51  molprobity  1.000  
160  160  m-85     -119.2    86.9  Favored  ?        9  117.160    12  0.35    16  0.38  molprobity  1.000  
161  161  ?         -77.9   143.4  Favored  ?        5  100.040     5  0.32     7  0.44  molprobity  1.000  
162  162  t80      -105.1    99.5  Favored  ?        9  101.510    12  0.41    16  0.43  molprobity  1.000  
163  163  ?         103.5  -175.5  Favored  ?        3  130.850     4  0.38     5  0.88  molprobity  1.000  
164  164  ?             ?       ?  ?        ?        5  153.770     4  0.18     4  0.44  molprobity  1.000  
165  165  p             ?       ?  ?        ?        9  201.220     7  0.59    10  0.54  molprobity  1.000  
166  166  tpt85     -63.7   149.1  Favored  ?       13  212.250    11  0.52    14  0.77  molprobity  1.000  
167  167  p90      -117.7   146.7  Favored  ?        9  236.910    13  0.47    18  0.48  molprobity  1.000  
168  168  tptp      -64.3   140.3  Favored  ?       13  221.400     9  0.45    11  0.98  molprobity  1.000  
169  169  m-20      -67.3    77.7  Allowed  ?        6  217.910     8  0.51    11  0.99  molprobity  1.000  
170  170  ?        -142.1   157.1  Favored  ?        5  222.540     5  0.63     7  0.71  molprobity  1.000  
171  171  mmtt      -64.6   138.4  Favored  ?       13  165.300     9  0.41    11  0.74  molprobity  1.000  
172  172  OUTLIER   -77.5   158.9  Favored  ?        9  136.880     8  0.36    10  0.79  molprobity  1.000  
173  173  tp       -131.6   139.0  Favored  ?       11  150.760     8  0.43    12  0.83  molprobity  1.000  
174  174  Cg_exo    -69.1   174.5  Favored  ?        7  140.850     8  0.94    11  1.23  molprobity  1.000  
175  175  m-85          ?       ?  ?        ?        9  140.770    11  0.34    13  0.19  molprobity  1.000  
176  176  ?             ?       ?  ?        ?        ?   56.470     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?        ?        ?  167.570     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?        ?        ?   91.420     ?     ?     ?     ?  ?           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    1  HB3    1  0.48  1.95  
 2    3  HG13   2  0.45  1.98  
 3    9  HG21   2  0.45  1.98  
 4   10  CG2    3  0.51  2.40  
 5   11  HG22   4  0.77  1.64  
 6   16  HB2    5  0.62  1.79  
 7   17  HG23   6  0.43  2.00  
 8   22  HD13   6  0.43  2.00  
 9   27  HD12   7  0.42  2.02  
10   37  HA     8  0.67  1.76  
11   38  HD3    9  0.55  1.89  
12   38  O     10  0.47  2.14  
13   39  HA3   11  0.57  1.86  
14   42  HG3   10  0.47  2.14  
15   48  HG3   12  0.44  2.33  
16   49  HG3   13  0.56  1.87  
17   49  N     12  0.44  2.33  
18   57  HG13  11  0.57  1.86  
19   72  HE22  14  0.46  1.80  
20   76  O     15  0.41  2.20  
21   76  HD23  15  0.41  2.20  
22   85  HG23  16  0.85  1.56  
23   85  CG2   17  0.46  2.39  
24   91  HB2   18  0.55  1.88  
25  103  HD13  19  0.58  1.83  
26  103  HD11  18  0.55  1.88  
27  103  HB2   20  0.47  1.96  
28  103  HB2   21  0.40  2.51  
29  108  HG11  16  0.85  1.56  
30  108  HG11  17  0.46  2.39  
31  115  HG21  19  0.58  1.83  
32  115  HG22  20  0.47  1.96  
33  115  CG2   21  0.40  2.51  
34  127  HB2    5  0.62  1.79  
35  132  HA     4  0.77  1.64  
36  134  HB3    3  0.51  2.40  
37  135  HG22  13  0.56  1.87  
38  135  HG23   1  0.48  1.95  
39  141  H     22  0.46  2.19  
40  141  CD    22  0.46  2.19  
41  153  HE2   23  0.40  1.84  
42  153  HB3   23  0.40  1.84  
43  157  HE3    8  0.67  1.76  
44  157  HE1    9  0.55  1.89  
45  158  HD13   7  0.42  2.02  
46  165  HA    14  0.46  1.80  
47  172  H     24  0.41  1.69  
48  172  HG2   24  0.41  1.69  
#
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  0.922  0.227   0.458  
  2    2   9  0.938  0.196  -0.478  
  3    3   7  0.973  0.195  -0.100  
  4    4   4  0.966  0.185   0.136  
  5    5   9  0.959  0.210  -0.013  
  6    6   8  0.964  0.229   0.457  
  7    7   9  0.958  0.196  -0.478  
  8    8   7  0.962  0.278   0.921  
  9    9   7  0.973  0.240   0.454  
 10   10   7  0.936  0.149  -0.472  
 11   11   8  0.934  0.201  -0.135  
 12   12  11  0.915  0.298   0.762  
 13   13  12  0.946  0.139  -0.778  
 14   14   7  0.969  0.206   0.303  
 15   15   8  0.965  0.324   1.322  
 16   16   9  0.920  0.230   0.225  
 17   17   7  0.945  0.248   0.552  
 18   18   9  0.911  0.250   0.277  
 19   19   4  0.917  0.113  -0.707  
 20   20   9  0.894  0.189  -0.391  
 21   21   7  0.950  0.263   0.737  
 22   22   8  0.930  0.276   0.739  
 23   23   8  0.946  0.138  -0.673  
 24   24   9  0.939  0.234   0.273  
 25   25   4  0.960  0.092  -0.953  
 26   26   9  0.922  0.244   0.212  
 27   27   8  0.981  0.226   0.132  
 28   28   6  0.974  0.189   0.152  
 29   29  12  0.947  0.268   0.908  
 30   30   8  0.986  0.257   0.508  
 31   31  10  0.981  0.226   0.470  
 32   32   4  0.980  0.166  -0.087  
 33   33  10  0.979  0.174  -0.209  
 34   34  11  0.977  0.209  -0.181  
 35   35   8  0.976  0.201   0.147  
 36   36   8  0.980  0.268   0.642  
 37   37   8  0.984  0.236   0.294  
 38   38   7  0.977  0.217   0.426  
 39   39   4  0.980  0.170  -0.040  
 40   40   8  0.992  0.265   0.606  
 41   41   9  0.935  0.221  -0.041  
 42   42   9  0.941  0.212  -0.139  
 43   43   5  0.993  0.184   0.004  
 44   44   8  0.983  0.246   0.375  
 45   45   9  0.938  0.162  -0.688  
 46   46   4  0.957  0.137  -0.426  
 47   47  11  0.974  0.209  -0.181  
 48   48   9  0.923  0.240   0.168  
 49   49   9  0.910  0.258   0.365  
 50   50   4  0.935  0.142  -0.368  
 51   51   9  0.905  0.162  -0.688  
 52   52   5  0.961  0.190   0.078  
 53   53  11  0.978  0.254   0.541  
 54   54   9  0.915  0.200  -0.132  
 55   55   5  0.982  0.211   0.338  
 56   56  10  0.966  0.183  -0.091  
 57   57   7  0.991  0.225   0.269  
 58   58   7  0.989  0.196   0.157  
 59   59   5  0.974  0.144  -0.491  
 60   60   9  0.959  0.215  -0.106  
 61   61   9  0.963  0.241  -0.026  
 62   62   5  0.973  0.182  -0.021  
 63   63  12  0.962  0.227   0.373  
 64   64   4  0.986  0.139  -0.403  
 65   65   7  0.986  0.186   0.029  
 66   66  10  0.969  0.153  -0.483  
 67   67   8  0.968  0.103  -1.108  
 68   68   7  0.977  0.133  -0.649  
 69   69   9  0.952  0.188  -0.402  
 70   70   4  0.979  0.135  -0.450  
 71   71   7  0.924  0.194  -0.112  
 72   72   9  0.854  0.230   0.225  
 73   73   7  0.980  0.197  -0.075  
 74   74   7  0.959  0.257   0.663  
 75   75   7  0.970  0.197   0.170  
 76   76   8  0.966  0.176  -0.475  
 77   77   6  0.953  0.164  -0.182  
 78   78   5  0.949  0.254   0.870  
 79   79  11  0.945  0.253   0.529  
 80   80   7  0.960  0.196   0.157  
 81   81   9  0.860  0.229   0.047  
 82   82   8  0.828  0.194   0.022  
 83   83   5  0.948  0.287   1.278  
 84   84   9  0.860  0.264   0.431  
 85   85   7  0.940  0.343   1.721  
 86   86   7  0.968  0.191  -0.149  
 87   87   7  0.967  0.163  -0.265  
 88   88   4  0.973  0.172  -0.016  
 89   89   5  0.954  0.183  -0.009  
 90   90   9  0.927  0.191  -0.240  
 91   91  11  0.980  0.319   1.320  
 92   92  12  0.950  0.208   0.124  
 93   93   5  0.968  0.249   0.808  
 94   94   9  0.924  0.270   0.702  
 95   95   8  0.884  0.120  -0.897  
 96   96   8  0.808  0.233   0.534  
 97   97   7  0.921  0.140  -0.929  
 98   98   4  0.876  0.264   1.061  
 99   99   6  0.912  0.112  -1.022  
100  100   7  0.925  0.182  -0.022  
101  101   8  0.947  0.375   2.332  
102  102   7  0.969  0.184   0.004  
103  103   8  0.953  0.346   1.589  
104  104   7  0.956  0.297   1.541  
105  105   7  0.964  0.221   0.220  
106  106   7  0.970  0.262   0.724  
107  107   5  0.977  0.171  -0.157  
108  108   7  0.936  0.268   0.798  
109  109   9  0.940  0.233   0.091  
110  110   4  0.847  0.208   0.405  
111  111   9  0.901  0.323   1.078  
112  112   9  0.886  0.345   1.319  
113  113   7  0.977  0.287   1.032  
114  114   7  0.979  0.176  -0.105  
115  115   7  0.945  0.294   1.118  
116  116   8  0.928  0.267   0.929  
117  117  11  0.946  0.304   1.140  
118  118   8  0.956  0.176  -0.181  
119  119  10  0.969  0.154  -0.470  
120  120   7  0.983  0.230   0.593  
121  121   8  0.990  0.299   1.018  
122  122   5  0.976  0.167  -0.207  
123  123   4  0.953  0.192   0.218  
124  124   9  0.958  0.247   0.034  
125  125   8  0.950  0.247   0.681  
126  126   8  0.985  0.284   0.836  
127  127   8  0.885  0.237   0.557  
128  128  11  0.975  0.224   0.182  
129  129   9  0.950  0.240   0.344  
130  130   7  0.955  0.191  -0.149  
131  131   9  0.902  0.228   0.036  
132  132   7  0.971  0.199  -0.050  
133  133   7  0.942  0.327   1.524  
134  134   9  0.938  0.255   0.114  
135  135   7  0.959  0.258   0.675  
136  136  11  0.962  0.188  -0.404  
137  137   9  0.909  0.277   0.573  
138  138   5  0.969  0.233   0.610  
139  139   7  0.977  0.210   0.358  
140  140   7  0.975  0.255   0.913  
141  141   9  0.953  0.244   0.212  
142  142   9  0.967  0.192  -0.359  
143  143   8  0.978  0.270   0.666  
144  144   8  0.971  0.286   0.860  
145  145  10  0.960  0.169  -0.274  
146  146   4  0.979  0.241   0.792  
147  147  10  0.946  0.209   0.248  
148  148   5  0.943  0.171  -0.157  
149  149  10  0.939  0.289   1.292  
150  150   7  0.863  0.262   1.003  
151  151   6  0.563  0.231   0.052  
152  152  12  0.856  0.177  -0.281  
153  153   9  0.820  0.240  -0.036  
154  154   8  0.914  0.189  -0.011  
155  155   5  0.950  0.290   1.316  
156  156   9  0.972  0.247   0.034  
157  157   8  0.977  0.187  -0.048  
158  158   8  0.985  0.275   0.727  
159  159   7  0.977  0.273   1.143  
160  160  11  0.966  0.305   1.152  
161  161   5  0.983  0.169  -0.182  
162  162  11  0.968  0.297   1.056  
163  163   4  0.908  0.155  -0.215  
164  164   5  0.905  0.509   4.026  
165  165   7  0.533  0.629   6.059  
166  166  11  0.687  0.428   2.141  
167  167  12  0.694  0.452   3.314  
168  168   9  0.871  0.283   0.396  
169  169   8  0.843  0.314   1.632  
170  170   5  0.900  0.166  -0.219  
171  171   9  0.940  0.174  -0.699  
172  172   8  0.937  0.236   0.572  
173  173   8  0.958  0.326   1.346  
174  174   7  0.969  0.207   0.298  
175  175  11  0.837  0.241   0.386  
176  176   1  0.938  0.174       ?  
177  177   1  0.299  1.971       ?  
178  178   1  0.554  0.479       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.27                                                                  Y  
3  dcc          "2.26  (2020-01-20)"                                                  Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
