data_4DCL

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4DCL
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4DCL
_pdbx_vrpt_summary.PDB_deposition_date         2012-01-17
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-13
_pdbx_vrpt_summary.report_creation_date        2023-09-06:02:21
_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  "Putative acetyltransferase SACOL2570"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  3.35  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   96.17  141614     ?     ?  
 2  2  1   98.83    1627  3.30  3.42  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1599  3.30  3.42  
 5  1  3   47.07  138945     ?     ?  
 6  2  3   73.34    1598  3.30  3.42  
 7  1  4   47.23  127900     ?     ?  
 8  2  4   49.83    1507  3.30  3.42  
 9  1  5   27.11  130704     ?     ?  
10  2  5   71.41    1558  3.30  3.42  
#
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   47.07  
4  6  3  A  1  1  A   73.34  
5  7  4  A  1  1  A   47.23  
6  8  4  A  1  1  A   49.83  
#
_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      0.68
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.52
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1492
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  2029
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.52
_pdbx_vrpt_summary_geometry.clashscore                     1.04
_pdbx_vrpt_summary_geometry.num_H_reduce                   1432
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1492
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.52
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                2029
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.68
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            88.998
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         94.182
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.55(3.36A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        4298
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.307
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.517
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.356
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.938
_pdbx_vrpt_summary_diffraction.twin_fraction             k,h,-l:0.050
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              3.35
_pdbx_vrpt_summary_diffraction.EDS_res_low               18.78
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[94.182,94.182,94.182,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.000
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 4.13% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         97.26
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      215
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.19
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       3.35
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        18.78
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.24
#
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  .  ?        ?  
  2  1  1  A    2  THR  A    2  .  ?        ?  
  3  1  1  A    3  GLU  A    3  .  ?        ?  
  4  1  1  A    4  LYS  A    4  .  ?        ?  
  5  1  1  A    5  GLU  A    5  .  ?        ?  
  6  1  1  A    6  LYS  A    6  .  ?        ?  
  7  1  1  A    7  MET  A    7  .  ?        ?  
  8  1  1  A    8  LEU  A    8  .  ?        ?  
  9  1  1  A    9  ALA  A    9  .  ?        ?  
 10  1  1  A   10  GLU  A   10  .  ?        ?  
 11  1  1  A   11  LYS  A   11  .  ?        ?  
 12  1  1  A   12  TRP  A   12  .  ?        ?  
 13  1  1  A   13  TYR  A   13  .  ?        1  
 14  1  1  A   14  ASP  A   14  .  ?        ?  
 15  1  1  A   15  ALA  A   15  .  ?        1  
 16  1  1  A   16  ASN  A   16  .  ?        ?  
 17  1  1  A   17  PHE  A   17  .  ?        ?  
 18  1  1  A   18  ASP  A   18  .  ?        ?  
 19  1  1  A   19  GLN  A   19  .  ?        ?  
 20  1  1  A   20  THR  A   20  .  ?        ?  
 21  1  1  A   21  LEU  A   21  .  ?        ?  
 22  1  1  A   22  ILE  A   22  .  ?        ?  
 23  1  1  A   23  ASN  A   23  .  ?        ?  
 24  1  1  A   24  GLU  A   24  .  ?        ?  
 25  1  1  A   25  ARG  A   25  .  ?        ?  
 26  1  1  A   26  LEU  A   26  .  ?        ?  
 27  1  1  A   27  ARG  A   27  .  ?        ?  
 28  1  1  A   28  ALA  A   28  .  ?        ?  
 29  1  1  A   29  LYS  A   29  .  ?        ?  
 30  1  1  A   30  VAL  A   30  .  ?        ?  
 31  1  1  A   31  ILE  A   31  .  ?        ?  
 32  1  1  A   32  CYS  A   32  .  ?        ?  
 33  1  1  A   33  PHE  A   33  .  ?        ?  
 34  1  1  A   34  ALA  A   34  .  ?        ?  
 35  1  1  A   35  LEU  A   35  .  ?        ?  
 36  1  1  A   36  ASN  A   36  .  ?        ?  
 37  1  1  A   37  HIS  A   37  .  ?        ?  
 38  1  1  A   38  THR  A   38  .  ?        ?  
 39  1  1  A   39  ASN  A   39  .  ?        ?  
 40  1  1  A   40  PRO  A   40  .  ?        ?  
 41  1  1  A   41  SER  A   41  .  ?        ?  
 42  1  1  A   42  ALA  A   42  .  ?        ?  
 43  1  1  A   43  THR  A   43  .  ?        ?  
 44  1  1  A   44  LEU  A   44  .  ?        1  
 45  1  1  A   45  LYS  A   45  .  ?        ?  
 46  1  1  A   46  ARG  A   46  .  ?        ?  
 47  1  1  A   47  LYS  A   47  .  ?        ?  
 48  1  1  A   48  VAL  A   48  .  ?        1  
 49  1  1  A   49  LEU  A   49  .  ?        ?  
 50  1  1  A   50  ILE  A   50  .  ?        ?  
 51  1  1  A   51  ASP  A   51  .  ?        ?  
 52  1  1  A   52  ALA  A   52  .  ?        ?  
 53  1  1  A   53  LEU  A   53  .  ?        ?  
 54  1  1  A   54  PHE  A   54  .  ?        ?  
 55  1  1  A   55  GLN  A   55  .  ?        ?  
 56  1  1  A   56  THR  A   56  .  ?        ?  
 57  1  1  A   57  THR  A   57  .  ?        ?  
 58  1  1  A   58  THR  A   58  .  ?        ?  
 59  1  1  A   59  ASP  A   59  .  ?        ?  
 60  1  1  A   60  ASN  A   60  .  ?        ?  
 61  1  1  A   61  VAL  A   61  .  ?        ?  
 62  1  1  A   62  SER  A   62  .  ?        ?  
 63  1  1  A   63  ILE  A   63  .  ?        ?  
 64  1  1  A   64  SER  A   64  .  ?        ?  
 65  1  1  A   65  ILE  A   65  .  ?        ?  
 66  1  1  A   66  PRO  A   66  .  ?        ?  
 67  1  1  A   67  PHE  A   67  .  ?        ?  
 68  1  1  A   68  ASP  A   68  .  ?        ?  
 69  1  1  A   69  THR  A   69  .  ?        ?  
 70  1  1  A   70  ASP  A   70  .  ?        ?  
 71  1  1  A   71  TYR  A   71  .  ?        ?  
 72  1  1  A   72  GLY  A   72  .  ?        ?  
 73  1  1  A   73  TRP  A   73  .  ?        ?  
 74  1  1  A   74  ASN  A   74  .  ?        ?  
 75  1  1  A   75  VAL  A   75  .  ?        ?  
 76  1  1  A   76  LYS  A   76  .  ?        ?  
 77  1  1  A   77  LEU  A   77  .  ?        ?  
 78  1  1  A   78  GLY  A   78  .  ?        ?  
 79  1  1  A   79  LYS  A   79  .  ?        ?  
 80  1  1  A   80  ASN  A   80  .  ?        ?  
 81  1  1  A   81  VAL  A   81  .  ?        ?  
 82  1  1  A   82  TYR  A   82  .  ?        ?  
 83  1  1  A   83  VAL  A   83  .  ?        ?  
 84  1  1  A   84  ASN  A   84  .  ?        ?  
 85  1  1  A   85  THR  A   85  .  ?        ?  
 86  1  1  A   86  ASN  A   86  .  ?        ?  
 87  1  1  A   87  CYS  A   87  .  ?        ?  
 88  1  1  A   88  TYR  A   88  .  ?        ?  
 89  1  1  A   89  PHE  A   89  .  ?        ?  
 90  1  1  A   90  MET  A   90  .  ?        ?  
 91  1  1  A   91  ASP  A   91  .  ?        ?  
 92  1  1  A   92  GLY  A   92  .  ?        ?  
 93  1  1  A   93  GLY  A   93  .  ?        ?  
 94  1  1  A   94  GLN  A   94  .  ?        ?  
 95  1  1  A   95  ILE  A   95  .  ?        ?  
 96  1  1  A   96  THR  A   96  .  ?        ?  
 97  1  1  A   97  ILE  A   97  .  ?        ?  
 98  1  1  A   98  GLY  A   98  .  ?        ?  
 99  1  1  A   99  ASP  A   99  .  ?        ?  
100  1  1  A  100  ASN  A  100  .  ?        ?  
101  1  1  A  101  VAL  A  101  .  ?        ?  
102  1  1  A  102  PHE  A  102  .  ?        ?  
103  1  1  A  103  ILE  A  103  .  ?        ?  
104  1  1  A  104  GLY  A  104  .  ?        ?  
105  1  1  A  105  PRO  A  105  .  ?        ?  
106  1  1  A  106  ASN  A  106  .  ?        ?  
107  1  1  A  107  CYS  A  107  .  ?        ?  
108  1  1  A  108  GLY  A  108  .  ?        ?  
109  1  1  A  109  PHE  A  109  .  ?        ?  
110  1  1  A  110  TYR  A  110  .  ?        ?  
111  1  1  A  111  THR  A  111  .  ?        ?  
112  1  1  A  112  ALA  A  112  .  ?        ?  
113  1  1  A  113  THR  A  113  .  ?        ?  
114  1  1  A  114  HIS  A  114  .  ?        ?  
115  1  1  A  115  PRO  A  115  .  ?        ?  
116  1  1  A  116  LEU  A  116  .  ?        ?  
117  1  1  A  117  ASN  A  117  .  ?        ?  
118  1  1  A  118  PHE  A  118  .  ?        ?  
119  1  1  A  119  HIS  A  119  .  ?        ?  
120  1  1  A  120  HIS  A  120  .  ?        ?  
121  1  1  A  121  ARG  A  121  .  ?        ?  
122  1  1  A  122  ASN  A  122  .  ?        ?  
123  1  1  A  123  GLU  A  123  .  ?        ?  
124  1  1  A  124  GLY  A  124  .  ?        ?  
125  1  1  A  125  PHE  A  125  .  ?        ?  
126  1  1  A  126  GLU  A  126  .  ?        ?  
127  1  1  A  127  LYS  A  127  .  ?        ?  
128  1  1  A  128  ALA  A  128  .  ?        ?  
129  1  1  A  129  GLY  A  129  .  ?        ?  
130  1  1  A  130  PRO  A  130  .  ?        ?  
131  1  1  A  131  ILE  A  131  .  ?        ?  
132  1  1  A  132  HIS  A  132  .  ?        ?  
133  1  1  A  133  ILE  A  133  .  ?        ?  
134  1  1  A  134  GLY  A  134  .  ?        ?  
135  1  1  A  135  SER  A  135  .  ?        ?  
136  1  1  A  136  ASN  A  136  .  ?        ?  
137  1  1  A  137  THR  A  137  .  ?        ?  
138  1  1  A  138  TRP  A  138  .  ?        ?  
139  1  1  A  139  PHE  A  139  .  ?        ?  
140  1  1  A  140  GLY  A  140  .  ?        ?  
141  1  1  A  141  GLY  A  141  .  ?        ?  
142  1  1  A  142  HIS  A  142  .  ?        ?  
143  1  1  A  143  VAL  A  143  .  ?        ?  
144  1  1  A  144  ALA  A  144  .  ?        ?  
145  1  1  A  145  VAL  A  145  .  ?        ?  
146  1  1  A  146  LEU  A  146  .  ?        ?  
147  1  1  A  147  PRO  A  147  .  ?        ?  
148  1  1  A  148  GLY  A  148  .  ?        ?  
149  1  1  A  149  VAL  A  149  .  ?        ?  
150  1  1  A  150  THR  A  150  .  ?        ?  
151  1  1  A  151  ILE  A  151  .  ?        ?  
152  1  1  A  152  GLY  A  152  .  ?        ?  
153  1  1  A  153  GLU  A  153  .  ?        ?  
154  1  1  A  154  GLY  A  154  .  ?        ?  
155  1  1  A  155  SER  A  155  .  ?        ?  
156  1  1  A  156  VAL  A  156  .  ?        ?  
157  1  1  A  157  ILE  A  157  .  ?        ?  
158  1  1  A  158  GLY  A  158  .  ?        ?  
159  1  1  A  159  ALA  A  159  .  ?        ?  
160  1  1  A  160  GLY  A  160  .  ?        ?  
161  1  1  A  161  SER  A  161  .  ?        ?  
162  1  1  A  162  VAL  A  162  .  ?        ?  
163  1  1  A  163  VAL  A  163  .  ?        ?  
164  1  1  A  164  THR  A  164  .  ?        ?  
165  1  1  A  165  LYS  A  165  .  ?        ?  
166  1  1  A  166  ASP  A  166  .  ?        ?  
167  1  1  A  167  ILE  A  167  .  ?        ?  
168  1  1  A  168  PRO  A  168  .  ?        ?  
169  1  1  A  169  PRO  A  169  .  ?        1  
170  1  1  A  170  HIS  A  170  .  ?        ?  
171  1  1  A  171  SER  A  171  .  ?        ?  
172  1  1  A  172  LEU  A  172  .  ?        ?  
173  1  1  A  173  ALA  A  173  .  ?        ?  
174  1  1  A  174  VAL  A  174  .  ?        ?  
175  1  1  A  175  GLY  A  175  .  ?        ?  
176  1  1  A  176  ASN  A  176  .  ?        ?  
177  1  1  A  177  PRO  A  177  .  ?        ?  
178  1  1  A  178  CYS  A  178  .  ?        ?  
179  1  1  A  179  LYS  A  179  .  ?        ?  
180  1  1  A  180  VAL  A  180  .  ?        ?  
181  1  1  A  181  VAL  A  181  .  ?        ?  
182  1  1  A  182  ARG  A  182  .  ?        ?  
183  1  1  A  183  LYS  A  183  .  ?        1  
184  1  1  A  184  ILE  A  184  .  ?        ?  
185  1  1  A  185  ASP  A  185  .  ?        ?  
186  1  1  A  186  ASN  A  186  .  ?        ?  
187  1  1  A  187  ASP  A  187  .  ?        ?  
188  1  1  A  188  LEU  A  188  .  ?        ?  
189  1  2  B    .  HOH  A  301  .  ?        ?  
#
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  OUTLIER       ?       ?  ?        ?       11  189.280     8  0.61    10  0.99  molprobity  1.000  
  2    2  p         -79.2   163.3  Favored  ?        7  177.070     7  0.45    10  1.00  molprobity  1.000  
  3    3  mm-40     -63.4   -35.7  Favored  ?        6  172.970     9  0.35    12  0.49  molprobity  1.000  
  4    4  tttt      -58.3   -45.3  Favored  ?       13  157.680     9  0.38    11  0.36  molprobity  1.000  
  5    5  mt-10     -61.8   -42.2  Favored  ?        6  180.810     9  0.24    12  0.27  molprobity  1.000  
  6    6  mttt      -64.3   -42.0  Favored  ?       13  176.530     9  0.50    11  0.45  molprobity  1.000  
  7    7  ttp       -56.9   -49.4  Favored  ?        9  145.680     8  0.68    10  0.68  molprobity  1.000  
  8    8  mt        -74.7    -4.8  Favored  ?       11  151.710     8  0.40    11  0.46  molprobity  1.000  
  9    9  ?        -107.4    11.9  Favored  ?        5  169.000     5  0.54     7  0.57  molprobity  1.000  
 10   10  mt-10      61.3    29.2  Favored  ?        6  178.160     9  0.59    12  0.87  molprobity  1.000  
 11   11  mttt     -102.8   161.1  Favored  ?       13  181.790     9  0.41    11  0.61  molprobity  1.000  
 12   12  m95       -63.6   133.9  Favored  ?       10  173.910    16  0.44    23  0.48  molprobity  1.000  
 13   13  p90      -140.8   156.3  Favored  ?        9  157.770    13  0.30    18  0.41  molprobity  1.000  
 14   14  t0        -85.1    79.6  Favored  ?        4  172.120     8  0.63    11  0.64  molprobity  1.000  
 15   15  ?         -64.4   -39.0  Favored  ?        5  149.580     5  0.52     7  0.64  molprobity  1.000  
 16   16  m120      -77.7   -33.0  Favored  ?        6  159.310     8  0.55    11  0.96  molprobity  1.000  
 17   17  m-85     -112.6    -8.1  Favored  ?        9  164.670    12  0.47    16  0.91  molprobity  1.000  
 18   18  t70       -71.0   126.0  Favored  ?        4  162.560     8  0.34    11  0.42  molprobity  1.000  
 19   19  mm-40     -64.5   -41.7  Favored  ?        8  163.920     9  0.33    12  0.90  molprobity  1.000  
 20   20  m         -62.0   -44.2  Favored  ?        7  155.420     7  0.44    10  0.61  molprobity  1.000  
 21   21  mt        -65.3   -41.2  Favored  ?       11  139.040     8  0.39    11  0.52  molprobity  1.000  
 22   22  mt        -58.0   -44.9  Favored  ?       11  134.380     8  0.41    11  0.53  molprobity  1.000  
 23   23  m-20      -62.7   -45.2  Favored  ?        6  141.630     8  0.33    11  0.46  molprobity  1.000  
 24   24  mt-10     -64.7   -40.3  Favored  ?        6  136.430     9  0.32    12  0.51  molprobity  1.000  
 25   25  mtm-85    -64.1   -41.7  Favored  ?       13  123.860    11  0.28    14  0.44  molprobity  1.000  
 26   26  tm?       -61.3   -43.4  Favored  ?       11  102.400     8  0.48    11  1.45  molprobity  1.000  
 27   27  ttp85     -53.4   -53.6  Favored  ?       13  120.580    11  1.01    14  0.96  molprobity  1.000  
 28   28  ?         -63.6   -36.4  Favored  ?        5   87.840     5  0.68     7  0.55  molprobity  1.000  
 29   29  OUTLIER   -66.2   -35.7  Favored  ?       13   78.470     9  2.05    11  1.67  molprobity  1.000  
 30   30  t         -69.5   -40.6  Favored  ?        9   80.620     7  0.37    10  0.76  molprobity  1.000  
 31   31  mt        -68.4   -43.8  Favored  ?       11   84.040     8  0.97    11  0.67  molprobity  1.000  
 32   32  m         -59.0   -48.1  Favored  ?        5   79.620     6  0.37     8  0.32  molprobity  1.000  
 33   33  t80       -53.1   -48.0  Favored  ?        9   75.900    12  0.50    16  0.37  molprobity  1.000  
 34   34  ?         -58.8   -51.0  Favored  ?        5   73.950     5  0.46     7  0.37  molprobity  1.000  
 35   35  tp        -58.8   -44.1  Favored  ?       11   73.670     8  0.59    11  0.49  molprobity  1.000  
 36   36  m-20      -69.6   -12.5  Favored  ?        6   75.550     8  0.59    11  0.79  molprobity  1.000  
 37   37  m80      -119.6    19.1  Favored  ?        7   75.750    11  0.74    15  0.88  molprobity  1.000  
 38   38  m        -103.8   125.5  Favored  ?        7   80.680     7  0.47    10  0.96  molprobity  1.000  
 39   39  t-20      -50.7   130.7  Favored  ?        6   94.160     8  0.60    12  0.51  molprobity  1.000  
 40   40  Cg_exo    -57.3   -25.1  Favored  ?        7   91.780     8  0.47    11  0.54  molprobity  1.000  
 41   41  p         -79.9    -2.3  Favored  ?        5  104.460     6  0.52     8  0.69  molprobity  1.000  
 42   42  ?         -90.5    67.5  Favored  ?        5  100.320     5  0.33     7  1.01  molprobity  1.000  
 43   43  m         -49.0   -49.1  Favored  ?        7  112.600     7  0.31    10  0.41  molprobity  1.000  
 44   44  mt        -64.0   -50.4  Favored  ?       11  115.820     8  0.93    11  0.75  molprobity  1.000  
 45   45  tttt      -58.4   -40.9  Favored  ?       13  108.480     9  0.56    11  0.51  molprobity  1.000  
 46   46  mtp85     -63.0   -42.9  Favored  ?       13  113.490    11  0.49    14  0.61  molprobity  1.000  
 47   47  mttt      -60.9   -41.5  Favored  ?       13  129.930     9  0.62    11  0.68  molprobity  1.000  
 48   48  t         -63.5   -45.4  Favored  ?        9  102.910     7  0.51    10  0.68  molprobity  1.000  
 49   49  mt        -65.3   -44.9  Favored  ?       11   93.220     8  0.50    11  0.52  molprobity  1.000  
 50   50  mt        -58.3   -46.6  Favored  ?       11   96.810     8  0.47    11  0.51  molprobity  1.000  
 51   51  m-20      -62.0   -37.7  Favored  ?        4  121.690     8  0.41    11  0.67  molprobity  1.000  
 52   52  ?         -67.6   -40.9  Favored  ?        5  109.900     5  0.23     7  0.36  molprobity  1.000  
 53   53  tp        -62.8   -48.4  Favored  ?       11  102.930     8  0.54    11  0.47  molprobity  1.000  
 54   54  m-85      -87.8    -4.7  Favored  ?        9  110.420    12  0.54    16  0.35  molprobity  1.000  
 55   55  mt-30      53.7    44.1  Favored  ?        8  147.190     9  0.46    12  0.88  molprobity  1.000  
 56   56  t        -152.6   168.0  Favored  ?        7  137.780     7  0.22    10  0.30  molprobity  1.000  
 57   57  m         -98.4   103.4  Favored  ?        7  146.000     7  0.47    10  0.92  molprobity  1.000  
 58   58  p         -72.7   152.9  Favored  ?        7  134.930     7  0.55    10  0.81  molprobity  1.000  
 59   59  t0       -123.1   101.1  Favored  ?        4  151.320     8  0.54    11  0.66  molprobity  1.000  
 60   60  t30        53.6    50.9  Favored  ?        6  137.870     8  0.26    11  0.54  molprobity  1.000  
 61   61  t        -101.0   107.8  Favored  ?        9  113.760     7  0.41    10  1.16  molprobity  1.000  
 62   62  p        -102.5   123.2  Favored  ?        5  112.320     6  0.42     8  0.48  molprobity  1.000  
 63   63  mm       -116.2   117.5  Favored  ?       11   95.800     8  0.68    11  0.91  molprobity  1.000  
 64   64  t         -90.1   120.9  Favored  ?        5   94.820     6  0.57     8  0.83  molprobity  1.000  
 65   65  pt        -71.5   149.9  Favored  Y       11   81.850     8  0.60    12  0.86  molprobity  1.000  
 66   66  Cg_endo   -76.6   163.9  Favored  ?        7   76.680     8  0.52    11  0.64  molprobity  1.000  
 67   67  t80      -140.0   150.1  Favored  ?        9   85.740    12  0.66    16  0.33  molprobity  1.000  
 68   68  t0       -140.4   148.8  Favored  ?        4   92.940     8  0.58    11  0.57  molprobity  1.000  
 69   69  t        -153.6   158.4  Favored  ?        7   97.350     7  0.71    10  0.78  molprobity  1.000  
 70   70  m-20      -88.1   -44.3  Favored  ?        4  103.690     8  0.36    11  0.52  molprobity  1.000  
 71   71  m-85     -117.2   -38.8  Favored  ?        9  114.360    13  0.40    18  0.54  molprobity  1.000  
 72   72  ?          86.2   -51.3  Favored  ?        3  111.930     4  0.54     5  0.27  molprobity  1.000  
 73   73  p-90      -68.7   -14.1  Favored  ?       10  129.150    16  0.37    23  0.47  molprobity  1.000  
 74   74  t30       -98.4    16.3  Favored  ?        6  128.100     8  0.28    11  0.61  molprobity  1.000  
 75   75  t        -108.8   113.6  Favored  ?        9  117.630     7  0.51    10  0.95  molprobity  1.000  
 76   76  mmtt     -101.7   118.8  Favored  ?       13  144.650     9  0.60    11  0.72  molprobity  1.000  
 77   77  mt       -115.4   142.1  Favored  ?       11  132.470     8  0.75    11  0.97  molprobity  1.000  
 78   78  ?         -84.6  -168.6  Favored  ?        3  139.730     4  0.47     5  0.59  molprobity  1.000  
 79   79  pttt      -92.6   157.7  Favored  ?       13  163.330     9  0.40    11  0.62  molprobity  1.000  
 80   80  m-20       58.1    61.2  Favored  ?        6  144.440     8  0.30    11  0.42  molprobity  1.000  
 81   81  t        -114.7   122.1  Favored  ?        9  116.730     7  0.51    10  0.96  molprobity  1.000  
 82   82  m-85     -113.2   114.8  Favored  ?        9  131.020    13  0.49    18  0.41  molprobity  1.000  
 83   83  t        -112.3   116.4  Favored  ?        9  101.200     7  0.63    10  0.72  molprobity  1.000  
 84   84  t-20      -79.6  -179.9  Favored  ?        6  105.280     8  0.45    11  0.68  molprobity  1.000  
 85   85  t         -57.2   141.6  Favored  ?        7   97.380     7  0.49    10  0.94  molprobity  1.000  
 86   86  t30        59.1    51.2  Favored  ?        6  102.870     8  0.77    11  0.92  molprobity  1.000  
 87   87  m         -97.8   157.8  Favored  ?        5   92.320     6  0.76     8  0.30  molprobity  1.000  
 88   88  t80      -136.1   118.3  Favored  ?        9   96.670    13  0.59    18  0.86  molprobity  1.000  
 89   89  m-30     -104.4    93.0  Favored  ?        9   98.700    12  0.54    16  0.78  molprobity  1.000  
 90   90  ttm       -82.4    91.9  Favored  ?        9  104.330     8  0.85    10  1.04  molprobity  1.000  
 91   91  p-10     -102.8    27.7  Favored  ?        4  122.200     8  0.65    11  1.12  molprobity  1.000  
 92   92  ?         -50.0   -45.4  Favored  ?        3  129.520     4  0.69     5  1.20  molprobity  1.000  
 93   93  ?         -92.8   133.6  Favored  ?        3  129.880     4  0.31     5  1.48  molprobity  1.000  
 94   94  tt0       -51.0   135.1  Favored  ?        8  151.330     9  0.45    12  0.32  molprobity  1.000  
 95   95  mt       -110.6   111.9  Favored  ?       11  121.120     8  0.32    11  0.85  molprobity  1.000  
 96   96  m        -104.3   123.6  Favored  ?        7  135.210     7  0.16    10  0.55  molprobity  1.000  
 97   97  mt       -122.8   128.5  Favored  ?       11  129.590     8  0.36    11  0.45  molprobity  1.000  
 98   98  ?         -74.4  -164.5  Favored  ?        3  139.990     4  0.35     5  0.62  molprobity  1.000  
 99   99  m-20      -89.5   151.3  Favored  ?        4  154.830     8  0.46    11  0.78  molprobity  1.000  
100  100  m-20       58.2    61.5  Favored  ?        6  152.460     8  0.35    11  0.60  molprobity  1.000  
101  101  t        -119.5   128.2  Favored  ?        9  124.260     7  0.33    10  0.52  molprobity  1.000  
102  102  m-85     -107.4   114.2  Favored  ?        9  130.200    12  0.42    16  0.29  molprobity  1.000  
103  103  mt       -112.0   119.1  Favored  ?       11  105.100     8  0.48    11  0.69  molprobity  1.000  
104  104  ?         -69.0   173.3  Favored  ?        3  108.560     4  0.29     6  0.25  molprobity  1.000  
105  105  Cg_endo   -72.0   156.0  Favored  ?        7  107.160     8  0.57    11  0.39  molprobity  1.000  
106  106  m-20       59.9    33.3  Favored  ?        6  110.690     8  0.68    11  0.60  molprobity  1.000  
107  107  m         -94.6   143.4  Favored  ?        5  107.650     6  0.88     8  0.43  molprobity  1.000  
108  108  ?        -127.0   127.0  Favored  ?        3  108.720     4  0.31     5  0.58  molprobity  1.000  
109  109  m-30     -113.9   103.7  Favored  ?        9  113.690    12  0.49    16  0.77  molprobity  1.000  
110  110  m-85     -106.2   117.6  Favored  ?        9  113.110    13  0.37    18  0.42  molprobity  1.000  
111  111  p        -103.8    -3.8  Favored  ?        7  118.370     7  0.34    10  0.52  molprobity  1.000  
112  112  ?         -90.0   131.2  Favored  ?        5  121.650     5  0.77     7  0.79  molprobity  1.000  
113  113  m        -112.4   134.5  Favored  ?        7  143.780     7  0.56    10  0.78  molprobity  1.000  
114  114  m-70     -106.1   156.9  Favored  ?        7  150.930    11  0.38    16  0.49  molprobity  1.000  
115  115  Cg_exo    -64.5   145.8  Favored  ?        7  169.920     8  0.64    11  0.54  molprobity  1.000  
116  116  OUTLIER   -70.3   -37.5  Favored  ?       11  170.780     8  0.70    11  1.03  molprobity  1.000  
117  117  t-20      -67.8   120.7  Favored  ?        6  177.690     8  0.31    11  0.57  molprobity  1.000  
118  118  p90       -62.9   -29.2  Favored  ?        9  167.490    12  0.60    16  0.66  molprobity  1.000  
119  119  m-70      -60.5   -47.0  Favored  ?        7  172.740    11  0.26    15  0.19  molprobity  1.000  
120  120  m170      -70.8   -41.5  Favored  ?        7  173.420    11  0.47    15  0.49  molprobity  1.000  
121  121  ttp-105   -62.8   -44.5  Favored  ?       13  164.680    11  0.37    14  0.35  molprobity  1.000  
122  122  m-20      -59.3   -20.7  Favored  ?        6  162.440     8  0.41    11  0.59  molprobity  1.000  
123  123  mt-10     -80.2    -9.1  Favored  ?        6  174.590     9  0.19    12  0.27  molprobity  1.000  
124  124  ?          94.0    10.3  Favored  ?        3  150.940     4  0.38     5  0.71  molprobity  1.000  
125  125  m-85      -71.4   143.7  Favored  ?        9  166.590    12  0.56    16  0.42  molprobity  1.000  
126  126  mt-10    -141.8   163.3  Favored  ?        6  155.770     9  0.51    12  0.65  molprobity  1.000  
127  127  ttmt     -135.8   128.7  Favored  ?       13  161.800     9  0.13    11  0.68  molprobity  1.000  
128  128  ?         -94.5   127.7  Favored  ?        5  136.340     5  0.72     7  0.59  molprobity  1.000  
129  129  ?        -115.8   108.7  Allowed  ?        3  133.660     4  0.64     6  0.77  molprobity  1.000  
130  130  Cg_exo    -56.6   149.4  Favored  ?        7  136.520     8  0.22    11  0.63  molprobity  1.000  
131  131  mt       -113.2   129.5  Favored  ?       11  125.190     8  0.65    11  0.75  molprobity  1.000  
132  132  m80      -114.6   123.9  Favored  ?        7  141.660    11  0.35    15  0.62  molprobity  1.000  
133  133  mm       -114.2   114.2  Favored  ?       11  129.420     8  0.49    11  0.86  molprobity  1.000  
134  134  ?         -68.7   161.7  Favored  ?        3  137.030     4  0.38     5  0.39  molprobity  1.000  
135  135  m         -64.3   162.0  Favored  ?        5  145.540     6  0.49     8  0.57  molprobity  1.000  
136  136  m-20       58.7    41.7  Favored  ?        6  156.070     8  0.31    11  0.54  molprobity  1.000  
137  137  p        -113.7   158.1  Favored  ?        7  135.410     7  0.34    10  0.38  molprobity  1.000  
138  138  t90      -141.3   126.0  Favored  ?       10  138.680    16  0.49    23  0.50  molprobity  1.000  
139  139  m-85     -113.7   128.4  Favored  ?        9  118.550    12  0.54    16  0.44  molprobity  1.000  
140  140  ?         -72.8   175.5  Favored  ?        3  118.910     4  0.28     5  1.13  molprobity  1.000  
141  141  ?         -71.6   161.7  Favored  ?        3  115.870     4  0.24     5  0.23  molprobity  1.000  
142  142  m-70       64.7    27.6  Favored  ?        7  115.500    11  0.37    15  0.42  molprobity  1.000  
143  143  t         -92.2   138.2  Favored  ?        9  112.440     7  0.36    10  0.32  molprobity  1.000  
144  144  ?        -118.4   132.2  Favored  ?        5  111.130     5  0.28     7  0.73  molprobity  1.000  
145  145  t        -115.6   128.1  Favored  ?        9  112.070     7  0.38    10  0.80  molprobity  1.000  
146  146  mm?       -89.4   169.0  Favored  ?       11  121.120     8  0.35    12  0.63  molprobity  1.000  
147  147  Cg_exo    -59.6   143.9  Favored  ?        7  128.430     8  0.51    11  0.58  molprobity  1.000  
148  148  ?          77.2     1.4  Favored  ?        3  140.040     4  0.43     5  0.88  molprobity  1.000  
149  149  t         -77.5   139.1  Favored  ?        9  137.100     7  0.30    10  0.70  molprobity  1.000  
150  150  m        -116.5   130.4  Favored  ?        7  142.350     7  0.37    10  0.75  molprobity  1.000  
151  151  mt       -114.7   114.0  Favored  ?       11  135.860     8  0.64    11  0.90  molprobity  1.000  
152  152  ?         -62.0   151.4  Favored  ?        3  145.670     4  0.26     5  0.40  molprobity  1.000  
153  153  pt-20     -57.0   143.0  Favored  ?        6  166.660     9  0.32    12  0.40  molprobity  1.000  
154  154  ?          78.3     7.2  Favored  ?        3  152.170     4  0.27     5  0.63  molprobity  1.000  
155  155  m         -89.5   156.3  Favored  ?        5  141.980     6  0.14     8  0.63  molprobity  1.000  
156  156  t        -125.3   127.1  Favored  ?        9  140.230     7  0.29    10  0.57  molprobity  1.000  
157  157  mm       -110.3   120.4  Favored  ?       11  126.250     8  0.25    11  0.52  molprobity  1.000  
158  158  ?         -68.4   153.0  Favored  ?        3  133.300     4  0.30     5  0.32  molprobity  1.000  
159  159  ?         -55.0   142.7  Favored  ?        5  131.890     5  0.54     7  0.47  molprobity  1.000  
160  160  ?          79.3     1.9  Favored  ?        3  126.800     4  0.43     5  0.78  molprobity  1.000  
161  161  m         -68.8   146.2  Favored  ?        5  128.690     6  0.57     8  0.73  molprobity  1.000  
162  162  t        -117.8   100.0  Favored  ?        9  125.300     7  0.32    10  1.00  molprobity  1.000  
163  163  t         -86.2    99.6  Favored  ?        9  127.430     7  0.37    10  0.52  molprobity  1.000  
164  164  p         -97.0   -24.2  Favored  ?        7  139.390     7  0.35    10  0.29  molprobity  1.000  
165  165  mtpt     -132.1   161.4  Favored  ?       13  158.100     9  0.74    11  0.75  molprobity  1.000  
166  166  m-20      -57.7   141.3  Favored  ?        4  158.290     8  0.45    11  0.74  molprobity  1.000  
167  167  mm       -112.8   123.0  Favored  ?       11  152.990     8  0.62    12  0.70  molprobity  1.000  
168  168  Cg_exo    -66.2   161.5  Favored  ?        7  166.940     8  0.58    12  0.45  molprobity  1.000  
169  169  Cg_exo    -59.4   157.8  Favored  ?        7  172.750     8  0.45    11  0.74  molprobity  1.000  
170  170  m-70       50.3    44.3  Favored  ?        7  185.410    11  0.44    15  0.28  molprobity  1.000  
171  171  m        -121.6   143.5  Favored  ?        5  172.360     6  0.32     8  0.51  molprobity  1.000  
172  172  tp        -98.7   125.6  Favored  ?       11  174.850     8  0.32    11  1.00  molprobity  1.000  
173  173  ?        -139.2   140.3  Favored  ?        5  159.280     5  0.29     7  0.28  molprobity  1.000  
174  174  p        -150.8   160.7  Favored  ?        9  162.250     7  0.54    10  0.61  molprobity  1.000  
175  175  ?         113.8   171.8  Favored  ?        3  148.140     4  0.82     5  1.10  molprobity  1.000  
176  176  t-20     -126.2   101.5  Favored  Y        6  150.810     8  0.62    12  0.78  molprobity  1.000  
177  177  Cg_endo   -76.9   152.8  Favored  ?        7  150.980     8  0.27    11  0.43  molprobity  1.000  
178  178  t         -66.6   123.7  Favored  ?        5  145.540     6  0.47     8  0.47  molprobity  1.000  
179  179  mttt     -129.6   143.6  Favored  ?       13  172.320     9  0.31    11  0.35  molprobity  1.000  
180  180  t         -65.2   133.4  Favored  ?        9  168.360     7  0.34    10  0.63  molprobity  1.000  
181  181  t         -94.7   -54.7  Favored  ?        9  178.970     7  0.47    10  0.59  molprobity  1.000  
182  182  ptp180   -160.6   171.1  Favored  ?       13  190.930    11  0.57    14  0.80  molprobity  1.000  
183  183  mttp      -90.5   153.6  Favored  ?       13  186.010     9  0.56    11  1.31  molprobity  1.000  
184  184  mt       -104.0   134.8  Favored  ?       11  189.770     8  0.75    11  0.63  molprobity  1.000  
185  185  m-20      -87.7   110.9  Favored  ?        4  207.080     8  0.37    11  0.94  molprobity  1.000  
186  186  m-20     -104.1    60.6  Allowed  ?        6  194.750     8  0.61    11  0.71  molprobity  1.000  
187  187  m-20     -142.3   153.0  Favored  ?        4  210.850     8  0.39    11  0.81  molprobity  1.000  
188  188  OUTLIER       ?       ?  ?        ?       11  215.820     7  0.89     8  0.84  molprobity  1.000  
189  189  ?             ?       ?  ?        ?        ?   38.540     ?     ?     ?     ?  ?           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   13  CE1   1  0.40  2.56  
2   15  HB2   1  0.40  2.56  
3   44  O     2  0.60  2.01  
4   48  HG23  2  0.60  2.01  
5  169  O     3  0.55  2.06  
6  183  HE3   3  0.55  2.06  
#
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  0.574  0.868   5.885  
  2    2   7  0.711  0.288   0.781  
  3    3   9  0.924  0.155  -0.889  
  4    4   9  0.895  0.215  -0.556  
  5    5   9  0.748  0.311   0.479  
  6    6   9  0.909  0.162  -0.970  
  7    7   8  0.953  0.181  -0.494  
  8    8   8  0.915  0.220  -0.419  
  9    9   5  0.911  0.272   0.511  
 10   10   9  0.791  0.369   0.987  
 11   11   9  0.881  0.308   0.169  
 12   12  14  0.866  0.327   0.852  
 13   13  12  0.799  0.372   1.136  
 14   14   8  0.701  0.468   2.585  
 15   15   5  0.947  0.212  -0.047  
 16   16   8  0.852  0.296   0.863  
 17   17  11  0.908  0.308   0.385  
 18   18   8  0.926  0.177  -0.408  
 19   19   9  0.876  0.400   1.513  
 20   20   7  0.899  0.207  -0.073  
 21   21   8  0.977  0.191  -0.673  
 22   22   8  0.920  0.228  -0.307  
 23   23   8  0.950  0.262   0.504  
 24   24   9  0.916  0.228  -0.249  
 25   25  11  0.948  0.162  -0.874  
 26   26   8  0.962  0.207  -0.533  
 27   27  11  0.926  0.208  -0.511  
 28   28   5  0.979  0.135  -0.764  
 29   29   9  0.935  0.157  -1.009  
 30   30   7  0.948  0.188  -0.562  
 31   31   8  0.984  0.155  -0.967  
 32   32   6  0.975  0.122  -0.781  
 33   33  11  0.966  0.216  -0.422  
 34   34   5  0.980  0.104  -1.052  
 35   35   8  0.977  0.162  -0.927  
 36   36   8  0.972  0.137  -0.816  
 37   37  10  0.938  0.233   0.078  
 38   38   7  0.975  0.152  -0.652  
 39   39   8  0.950  0.168  -0.489  
 40   40   7  0.972  0.216  -0.015  
 41   41   6  0.960  0.313   1.149  
 42   42   5  0.931  0.220   0.027  
 43   43   7  0.946  0.152  -0.652  
 44   44   8  0.928  0.232  -0.314  
 45   45   9  0.926  0.204  -0.642  
 46   46  11  0.903  0.202  -0.558  
 47   47   9  0.909  0.291   0.037  
 48   48   7  0.956  0.174  -0.687  
 49   49   8  0.978  0.188  -0.699  
 50   50   8  0.960  0.208  -0.487  
 51   51   8  0.879  0.195  -0.223  
 52   52   5  0.976  0.174  -0.401  
 53   53   8  0.970  0.183  -0.743  
 54   54  11  0.936  0.181  -0.728  
 55   55   9  0.914  0.242  -0.002  
 56   56   7  0.948  0.210  -0.041  
 57   57   7  0.885  0.311   1.023  
 58   58   7  0.880  0.280   0.697  
 59   59   8  0.799  0.436   2.256  
 60   60   8  0.913  0.258   0.461  
 61   61   7  0.965  0.131  -1.071  
 62   62   6  0.928  0.172  -0.331  
 63   63   8  0.966  0.149  -1.021  
 64   64   6  0.958  0.132  -0.750  
 65   65   8  0.979  0.142  -1.084  
 66   66   7  0.971  0.150  -0.672  
 67   67  11  0.982  0.140  -1.088  
 68   68   8  0.949  0.170  -0.480  
 69   69   7  0.977  0.151  -0.663  
 70   70   8  0.943  0.146  -0.727  
 71   71  12  0.955  0.207  -0.396  
 72   72   4  0.959  0.182  -0.183  
 73   73  14  0.957  0.232  -0.096  
 74   74   8  0.938  0.165  -0.521  
 75   75   7  0.945  0.178  -0.651  
 76   76   9  0.868  0.326   0.310  
 77   77   8  0.947  0.164  -0.910  
 78   78   4  0.901  0.158  -0.399  
 79   79   9  0.900  0.305   0.146  
 80   80   8  0.906  0.248   0.356  
 81   81   7  0.935  0.201  -0.446  
 82   82  12  0.915  0.254   0.041  
 83   83   7  0.974  0.150  -0.901  
 84   84   8  0.945  0.148  -0.700  
 85   85   7  0.983  0.146  -0.715  
 86   86   8  0.952  0.171  -0.457  
 87   87   6  0.950  0.182  -0.076  
 88   88  12  0.940  0.189  -0.563  
 89   89  11  0.967  0.166  -0.860  
 90   90   8  0.965  0.182  -0.485  
 91   91   8  0.949  0.185  -0.326  
 92   92   4  0.937  0.188  -0.129  
 93   93   4  0.937  0.158  -0.399  
 94   94   9  0.891  0.222  -0.194  
 95   95   8  0.955  0.164  -0.885  
 96   96   7  0.808  0.287   0.770  
 97   97   8  0.961  0.195  -0.605  
 98   98   4  0.879  0.200  -0.022  
 99   99   8  0.699  0.264   0.487  
100  100   8  0.903  0.222   0.081  
101  101   7  0.900  0.278   0.242  
102  102  11  0.938  0.253  -0.097  
103  103   8  0.964  0.182  -0.722  
104  104   4  0.987  0.130  -0.650  
105  105   7  0.987  0.185  -0.323  
106  106   8  0.952  0.177  -0.394  
107  107   6  0.962  0.143  -0.534  
108  108   4  0.951  0.168  -0.309  
109  109  11  0.959  0.208  -0.492  
110  110  12  0.964  0.278   0.264  
111  111   7  0.955  0.180  -0.357  
112  112   5  0.967  0.163  -0.503  
113  113   7  0.948  0.225   0.117  
114  114  10  0.961  0.249   0.238  
115  115   7  0.934  0.219   0.015  
116  116   8  0.894  0.242  -0.226  
117  117   8  0.866  0.357   1.507  
118  118  11  0.925  0.240  -0.211  
119  119  10  0.876  0.458   2.330  
120  120  10  0.849  0.406   1.810  
121  121  11  0.858  0.268  -0.037  
122  122   8  0.961  0.151  -0.668  
123  123   9  0.868  0.408   1.329  
124  124   4  0.981  0.111  -0.820  
125  125  11  0.738  0.435   1.498  
126  126   9  0.835  0.281   0.216  
127  127   9  0.889  0.361   0.583  
128  128   5  0.919  0.215  -0.020  
129  129   4  0.945  0.198  -0.039  
130  130   7  0.919  0.209  -0.085  
131  131   8  0.956  0.147  -1.039  
132  132  10  0.774  0.251   0.258  
133  133   8  0.966  0.197  -0.587  
134  134   4  0.960  0.321   1.065  
135  135   6  0.920  0.200  -0.037  
136  136   8  0.900  0.276   0.652  
137  137   7  0.950  0.321   1.129  
138  138  14  0.813  0.310   0.683  
139  139  11  0.974  0.212  -0.457  
140  140   4  0.956  0.136  -0.596  
141  141   4  0.969  0.173  -0.264  
142  142  10  0.937  0.224  -0.012  
143  143   7  0.976  0.190  -0.544  
144  144   5  0.984  0.150  -0.624  
145  145   7  0.967  0.136  -1.026  
146  146   8  0.976  0.203  -0.568  
147  147   7  0.904  0.272   0.542  
148  148   4  0.859  0.365   1.460  
149  149   7  0.927  0.242  -0.079  
150  150   7  0.914  0.169  -0.473  
151  151   8  0.956  0.170  -0.831  
152  152   4  0.920  0.206   0.032  
153  153   9  0.800  0.403   1.285  
154  154   4  0.917  0.220   0.158  
155  155   6  0.955  0.279   0.792  
156  156   7  0.923  0.289   0.340  
157  157   8  0.973  0.213  -0.442  
158  158   4  0.969  0.156  -0.417  
159  159   5  0.951  0.193  -0.224  
160  160   4  0.962  0.183  -0.174  
161  161   6  0.984  0.179  -0.257  
162  162   7  0.957  0.162  -0.794  
163  163   7  0.912  0.200  -0.454  
164  164   7  0.945  0.247   0.349  
165  165   9  0.864  0.358   0.559  
166  166   8  0.893  0.220   0.034  
167  167   8  0.973  0.122  -1.265  
168  168   7  0.957  0.151  -0.662  
169  169   7  0.964  0.254   0.363  
170  170  10  0.863  0.345   1.199  
171  171   6  0.884  0.210   0.068  
172  172   8  0.921  0.397   1.132  
173  173   5  0.962  0.166  -0.475  
174  174   7  0.910  0.186  -0.579  
175  175   4  0.972  0.102  -0.901  
176  176   8  0.916  0.199  -0.162  
177  177   7  0.949  0.177  -0.403  
178  178   6  0.947  0.160  -0.335  
179  179   9  0.833  0.441   1.207  
180  180   7  0.912  0.368   1.046  
181  181   7  0.943  0.391   1.251  
182  182  11  0.881  0.286   0.105  
183  183   9  0.793  0.379   0.723  
184  184   8  0.946  0.246  -0.144  
185  185   8  0.854  0.321   1.073  
186  186   8  0.728  0.533   3.365  
187  187   8  0.691  0.346   1.330  
188  188   8  0.367  0.526   2.263  
189  189   1  0.515  0.488       ?  
#
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          2.35                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
