data_6AKV

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  6AKV
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    6AKV
_pdbx_vrpt_summary.PDB_deposition_date         2018-09-03
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-11-22
_pdbx_vrpt_summary.report_creation_date        2023-11-14:13:49
_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      LysB4  
2  non-polymer  "ZINC ION"  
3  non-polymer  "SULFATE ION"  
4  non-polymer  "CHLORIDE ION"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  4  
E  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.4  x-ray  
#
loop_
_pdbx_vrpt_percentile_type.id
_pdbx_vrpt_percentile_type.type
1  all_atom_clashscore           
2  Ramachandran_outlier_percent  
3  rotamer_outliers_percent      
4  RSRZ_outliers_percent         
5  R_value_R_free                
#
loop_
_pdbx_vrpt_percentile_conditions.id
_pdbx_vrpt_percentile_conditions.percentile_list_id
_pdbx_vrpt_percentile_conditions.type_id
_pdbx_vrpt_percentile_conditions.rank
_pdbx_vrpt_percentile_conditions.number_entries_total
_pdbx_vrpt_percentile_conditions.res_high
_pdbx_vrpt_percentile_conditions.res_low
 1  1  1   44.75  141614     ?     ?  
 2  2  1   59.44    4398  2.40  2.40  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    4318  2.40  2.40  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    4319  2.40  2.40  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    3811  2.40  2.40  
 9  1  5   68.17  130704     ?     ?  
10  2  5   88.50    3907  2.40  2.40  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
1  3  2  A  1  1  A  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  100.00  
6  8  4  A  1  1  A  100.00  
#
_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      0.54
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.40
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1184
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1600
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     6.52
_pdbx_vrpt_summary_geometry.num_H_reduce                   1134
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1184
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.40
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1600
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.54
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            50.407
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         32.751
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.69(2.39A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7926
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.357
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.469
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.299
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.940
_pdbx_vrpt_summary_diffraction.twin_fraction             l,-k,h:0.012;-l,-k,-h:0.034;-h,-l,-k:0.032;-h,l,k:0.010;-k,-h,-l:0.065
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.22
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.39
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.09
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[32.476,32.476,33.161,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.021
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 4.75% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         81.79
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      769
_pdbx_vrpt_summary_diffraction.percent_free_reflections  9.70
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.40
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        28.09
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.22
#
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   22  ALA  A    2  .  ?        ?  
  2  1  1  A   23  MET  A    3  .  ?        ?  
  3  1  1  A   24  ALA  A    4  .  ?        ?  
  4  1  1  A   25  LEU  A    5  .  ?        ?  
  5  1  1  A   26  GLN  A    6  .  ?        ?  
  6  1  1  A   27  THR  A    7  .  ?        ?  
  7  1  1  A   28  LEU  A    8  .  ?        ?  
  8  1  1  A   29  ILE  A    9  .  ?        ?  
  9  1  1  A   30  ASP  A   10  .  ?        ?  
 10  1  1  A   31  LYS  A   11  .  ?        ?  
 11  1  1  A   32  ALA  A   12  .  ?        ?  
 12  1  1  A   33  ASN  A   13  .  ?        ?  
 13  1  1  A   34  ARG  A   14  .  ?        ?  
 14  1  1  A   35  LYS  A   15  .  ?        ?  
 15  1  1  A   36  LEU  A   16  .  ?        ?  
 16  1  1  A   37  ASN  A   17  .  ?        1  
 17  1  1  A   38  VAL  A   18  .  ?        ?  
 18  1  1  A   39  SER  A   19  .  ?        ?  
 19  1  1  A   40  GLY  A   20  .  ?        ?  
 20  1  1  A   41  MET  A   21  .  ?        ?  
 21  1  1  A   42  ARG  A   22  .  ?        1  
 22  1  1  A   43  LYS  A   23  .  ?        1  
 23  1  1  A   44  ASP  A   24  .  ?        1  
 24  1  1  A   45  VAL  A   25  .  ?        ?  
 25  1  1  A   46  ALA  A   26  .  ?        ?  
 26  1  1  A   47  ASP  A   27  .  ?        ?  
 27  1  1  A   48  ARG  A   28  .  ?        2  
 28  1  1  A   49  THR  A   29  .  ?        ?  
 29  1  1  A   50  ARG  A   30  .  ?        1  
 30  1  1  A   51  ALA  A   31  .  ?        ?  
 31  1  1  A   52  VAL  A   32  .  ?        ?  
 32  1  1  A   53  ILE  A   33  .  ?        ?  
 33  1  1  A   54  THR  A   34  .  ?        ?  
 34  1  1  A   55  GLN  A   35  .  ?        ?  
 35  1  1  A   56  MET  A   36  .  ?        ?  
 36  1  1  A   57  HIS  A   37  .  ?        ?  
 37  1  1  A   58  ALA  A   38  .  ?        ?  
 38  1  1  A   59  GLN  A   39  .  ?        ?  
 39  1  1  A   60  GLY  A   40  .  ?        ?  
 40  1  1  A   61  ILE  A   41  .  ?        ?  
 41  1  1  A   62  TYR  A   42  .  ?        ?  
 42  1  1  A   63  ILE  A   43  .  ?        ?  
 43  1  1  A   64  CYS  A   44  .  ?        ?  
 44  1  1  A   65  VAL  A   45  .  ?        ?  
 45  1  1  A   66  ALA  A   46  .  ?        ?  
 46  1  1  A   67  GLN  A   47  .  ?        ?  
 47  1  1  A   68  GLY  A   48  .  ?        ?  
 48  1  1  A   69  PHE  A   49  .  ?        ?  
 49  1  1  A   70  ARG  A   50  .  ?        ?  
 50  1  1  A   71  SER  A   51  .  ?        ?  
 51  1  1  A   72  PHE  A   52  .  ?        ?  
 52  1  1  A   73  ALA  A   53  .  ?        ?  
 53  1  1  A   74  GLU  A   54  .  ?        ?  
 54  1  1  A   75  GLN  A   55  .  ?        ?  
 55  1  1  A   76  ASN  A   56  .  ?        ?  
 56  1  1  A   77  ALA  A   57  .  ?        ?  
 57  1  1  A   78  LEU  A   58  .  ?        ?  
 58  1  1  A   79  TYR  A   59  .  ?        ?  
 59  1  1  A   80  ALA  A   60  .  ?        ?  
 60  1  1  A   81  GLN  A   61  .  ?        ?  
 61  1  1  A   82  GLY  A   62  .  ?        ?  
 62  1  1  A   83  ARG  A   63  .  ?        ?  
 63  1  1  A   84  THR  A   64  .  ?        ?  
 64  1  1  A   85  LYS  A   65  .  ?        ?  
 65  1  1  A   86  PRO  A   66  .  ?        ?  
 66  1  1  A   87  GLY  A   67  .  ?        ?  
 67  1  1  A   88  SER  A   68  .  ?        ?  
 68  1  1  A   89  ILE  A   69  .  ?        ?  
 69  1  1  A   90  VAL  A   70  .  ?        ?  
 70  1  1  A   91  THR  A   71  .  ?        ?  
 71  1  1  A   92  ASN  A   72  .  ?        ?  
 72  1  1  A   93  ALA  A   73  .  ?        ?  
 73  1  1  A   94  ARG  A   74  .  ?        ?  
 74  1  1  A   95  GLY  A   75  .  ?        ?  
 75  1  1  A   96  GLY  A   76  .  ?        1  
 76  1  1  A   97  GLN  A   77  .  ?        ?  
 77  1  1  A   98  SER  A   78  .  ?        1  
 78  1  1  A   99  ASN  A   79  .  ?        ?  
 79  1  1  A  100  HIS  A   80  .  ?        ?  
 80  1  1  A  101  ASN  A   81  .  ?        2  
 81  1  1  A  102  TYR  A   82  .  ?        ?  
 82  1  1  A  103  GLY  A   83  .  ?        ?  
 83  1  1  A  104  VAL  A   84  .  ?        1  
 84  1  1  A  105  ALA  A   85  .  ?        ?  
 85  1  1  A  106  VAL  A   86  .  ?        ?  
 86  1  1  A  107  ASP  A   87  .  ?        1  
 87  1  1  A  108  LEU  A   88  .  ?        ?  
 88  1  1  A  109  CYS  A   89  .  ?        ?  
 89  1  1  A  110  LEU  A   90  .  ?        ?  
 90  1  1  A  111  TYR  A   91  .  ?        ?  
 91  1  1  A  112  THR  A   92  .  ?        1  
 92  1  1  A  113  GLN  A   93  .  ?        ?  
 93  1  1  A  114  ASP  A   94  .  ?        ?  
 94  1  1  A  115  GLY  A   95  .  ?        ?  
 95  1  1  A  116  SER  A   96  .  ?        ?  
 96  1  1  A  117  ASP  A   97  .  ?        1  
 97  1  1  A  118  VAL  A   98  .  ?        ?  
 98  1  1  A  119  ILE  A   99  .  ?        ?  
 99  1  1  A  120  TRP  A  100  .  ?        ?  
100  1  1  A  121  THR  A  101  .  ?        ?  
101  1  1  A  122  VAL  A  102  .  ?        1  
102  1  1  A  123  GLU  A  103  .  ?        ?  
103  1  1  A  124  GLY  A  104  .  ?        ?  
104  1  1  A  125  ASN  A  105  .  ?        ?  
105  1  1  A  126  PHE  A  106  .  ?        ?  
106  1  1  A  127  ARG  A  107  .  ?        1  
107  1  1  A  128  LYS  A  108  .  ?        ?  
108  1  1  A  129  VAL  A  109  .  ?        ?  
109  1  1  A  130  ILE  A  110  .  ?        ?  
110  1  1  A  131  ALA  A  111  .  ?        ?  
111  1  1  A  132  ALA  A  112  .  ?        ?  
112  1  1  A  133  MET  A  113  .  ?        ?  
113  1  1  A  134  LYS  A  114  .  ?        ?  
114  1  1  A  135  ALA  A  115  .  ?        ?  
115  1  1  A  136  GLN  A  116  .  ?        ?  
116  1  1  A  137  GLY  A  117  .  ?        ?  
117  1  1  A  138  PHE  A  118  .  ?        ?  
118  1  1  A  139  LYS  A  119  .  ?        ?  
119  1  1  A  140  TRP  A  120  .  ?        ?  
120  1  1  A  141  GLY  A  121  .  ?        ?  
121  1  1  A  142  GLY  A  122  .  ?        ?  
122  1  1  A  143  ASP  A  123  .  ?        ?  
123  1  1  A  144  TRP  A  124  .  ?        1  
124  1  1  A  145  VAL  A  125  .  ?        ?  
125  1  1  A  146  SER  A  126  .  ?        ?  
126  1  1  A  147  PHE  A  127  .  ?        ?  
127  1  1  A  148  LYS  A  128  .  ?        2  
128  1  1  A  149  ASP  A  129  .  ?        ?  
129  1  1  A  150  TYR  A  130  .  ?        2  
130  1  1  A  151  PRO  A  131  .  ?        1  
131  1  1  A  152  HIS  A  132  .  ?        2  
132  1  1  A  153  PHE  A  133  .  ?        ?  
133  1  1  A  154  GLU  A  134  .  ?        2  
134  1  1  A  155  LEU  A  135  .  ?        ?  
135  1  1  A  156  TYR  A  136  .  ?        ?  
136  1  1  A  157  ASP  A  137  .  ?        ?  
137  1  1  A  158  VAL  A  138  .  ?        ?  
138  1  1  A  159  VAL  A  139  .  ?        ?  
139  1  1  A  160  GLY  A  140  .  ?        ?  
140  1  1  A  161  GLY  A  141  .  ?        ?  
141  1  1  A  162  GLN  A  142  .  ?        ?  
142  1  1  A  163  LYS  A  143  .  ?        ?  
143  1  1  A  164  PRO  A  144  .  ?        ?  
144  1  1  A  165  PRO  A  145  .  ?        ?  
145  1  1  A  166  ALA  A  146  .  ?        ?  
146  1  1  A  167  ASP  A  147  .  ?        1  
147  1  1  A  168  ASN  A  148  .  ?        ?  
148  1  1  A  169  GLY  A  149  .  ?        ?  
149  1  1  A  170  GLY  A  150  .  ?        ?  
150  1  1  A  171  ALA  A  151  .  ?        1  
151  1  1  A  172  VAL  A  152  .  ?        ?  
152  1  2  B    .  ZN   A  301  .  ?        ?  
153  1  3  C    .  SO4  A  302  .  ?        ?  
154  1  4  D    .  CL   A  303  .  ?        1  
155  1  5  E    .  HOH  A  401  .  ?        ?  
156  1  5  E    .  HOH  A  402  .  ?        ?  
157  1  5  E    .  HOH  A  403  .  ?        ?  
158  1  5  E    .  HOH  A  404  .  ?        ?  
159  1  5  E    .  HOH  A  405  .  ?        ?  
160  1  5  E    .  HOH  A  406  .  ?        ?  
161  1  5  E    .  HOH  A  407  .  ?        ?  
162  1  5  E    .  HOH  A  408  .  ?        ?  
163  1  5  E    .  HOH  A  409  .  ?        ?  
164  1  5  E    .  HOH  A  410  .  ?        ?  
165  1  5  E    .  HOH  A  411  .  ?        ?  
166  1  5  E    .  HOH  A  412  .  ?        ?  
167  1  5  E    .  HOH  A  413  .  ?        ?  
168  1  5  E    .  HOH  A  414  .  ?        ?  
169  1  5  E    .  HOH  A  415  .  ?        ?  
170  1  5  E    .  HOH  A  416  .  ?        ?  
171  1  5  E    .  HOH  A  417  .  ?        ?  
172  1  5  E    .  HOH  A  418  .  ?        ?  
173  1  5  E    .  HOH  A  419  .  ?        ?  
174  1  5  E    .  HOH  A  420  .  ?        ?  
175  1  5  E    .  HOH  A  421  .  ?        ?  
176  1  5  E    .  HOH  A  422  .  ?        ?  
177  1  5  E    .  HOH  A  423  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ?             ?       ?  ?           ?     4  56.510     5  0.22     7  0.26  molprobity  1.000  
  2    2  mtp      -101.5   144.5  Favored     ?     9  55.180     8  0.27    10  0.53  molprobity  1.000  
  3    3  ?         -78.5   140.8  Favored     ?     5  43.260     5  0.24     7  0.53  molprobity  1.000  
  4    4  tm?       -54.3   -38.5  Favored     ?    11  41.600     8  0.35    11  0.62  molprobity  1.000  
  5    5  tp60      -54.2   -47.5  Favored     ?     8  42.230     9  0.23    12  0.36  molprobity  1.000  
  6    6  m         -60.2   -44.3  Favored     ?     7  41.260     7  0.36    10  0.53  molprobity  1.000  
  7    7  mt        -62.1   -47.5  Favored     ?    11  35.150     8  0.20    11  0.41  molprobity  1.000  
  8    8  mt        -71.5   -29.7  Favored     ?    11  31.260     8  0.40    11  0.56  molprobity  1.000  
  9    9  m-20      -65.3   -46.8  Favored     ?     4  47.520     8  0.49    11  0.32  molprobity  1.000  
 10   10  mttm      -71.3   -36.7  Favored     ?    13  47.060     9  0.53    11  0.43  molprobity  1.000  
 11   11  ?         -60.9   -39.6  Favored     ?     5  30.070     5  0.32     7  0.15  molprobity  1.000  
 12   12  m-20      -65.4   -19.2  Favored     ?     6  32.410     8  0.29    11  0.42  molprobity  1.000  
 13   13  mtm105    -58.9   -34.0  Favored     ?    13  60.000    11  0.44    14  0.43  molprobity  1.000  
 14   14  mmtt      -94.9   -41.1  Favored     ?    13  44.580     9  0.22    11  0.53  molprobity  1.000  
 15   15  mt        -74.3   -23.5  Favored     ?    11  31.670     8  0.33    11  0.27  molprobity  1.000  
 16   16  m-20     -103.2    13.9  Favored     ?     6  35.690     8  0.35    11  0.41  molprobity  1.000  
 17   17  t         -69.4   142.5  Favored     ?     9  36.890     7  0.26    10  0.52  molprobity  1.000  
 18   18  t         -60.0   109.8  Allowed     ?     5  45.120     6  0.27     8  0.43  molprobity  1.000  
 19   19  ?         133.9   -31.7  Favored     ?     3  35.650     4  0.32     5  0.48  molprobity  1.000  
 20   20  mmm       -67.7   143.8  Favored     ?     9  33.060     8  0.21    10  0.45  molprobity  1.000  
 21   21  mtp85     -82.1   145.8  Favored     ?    13  32.490    11  0.57    14  0.51  molprobity  1.000  
 22   22  mmtm      -71.3   -34.8  Favored     ?    13  48.530     9  0.64    11  0.68  molprobity  1.000  
 23   23  p-10      -69.4   -27.0  Favored     ?     4  33.900     8  0.23    11  0.60  molprobity  1.000  
 24   24  t         -75.8   -40.8  Favored     ?     9  23.560     7  0.25    10  0.49  molprobity  1.000  
 25   25  ?         -58.8   -46.7  Favored     ?     5  26.340     5  0.30     7  0.27  molprobity  1.000  
 26   26  m-20      -68.3   -45.4  Favored     ?     4  38.570     8  0.30    11  0.78  molprobity  1.000  
 27   27  mtt180    -63.6   -31.2  Favored     ?    13  36.910    11  0.20    14  0.78  molprobity  1.000  
 28   28  m         -72.6   -38.9  Favored     ?     7  27.890     7  0.24    10  0.64  molprobity  1.000  
 29   29  mtt85     -63.3   -36.9  Favored     ?    13  31.680    11  0.44    14  0.72  molprobity  1.000  
 30   30  ?         -63.1   -44.8  Favored     ?     5  26.870     5  0.38     7  0.35  molprobity  1.000  
 31   31  t         -64.2   -45.5  Favored     ?     9  28.060     7  0.44    10  0.40  molprobity  1.000  
 32   32  mt        -55.6   -42.1  Favored     ?    11  30.830     8  0.25    11  0.31  molprobity  1.000  
 33   33  m         -69.3   -48.8  Favored     ?     7  33.110     7  0.23    10  0.45  molprobity  1.000  
 34   34  tt0       -61.5   -34.1  Favored     ?     8  50.320     9  0.49    12  0.65  molprobity  1.000  
 35   35  mmt       -77.4   -36.0  Favored     ?     9  42.390     8  0.22    10  0.46  molprobity  1.000  
 36   36  t-80      -61.7   -35.8  Favored     ?     7  47.700    11  0.21    15  0.15  molprobity  1.000  
 37   37  ?         -52.2   -25.7  Favored     ?     5  49.640     5  0.34     7  0.36  molprobity  1.000  
 38   38  mt-30    -107.3    27.3  Favored     ?     8  55.230     9  0.26    12  0.43  molprobity  1.000  
 39   39  ?          69.0     3.0  Favored     ?     3  46.930     4  0.27     5  0.75  molprobity  1.000  
 40   40  mt        -94.4   119.1  Favored     ?    11  43.650     8  0.26    11  0.39  molprobity  1.000  
 41   41  m-85     -106.3   112.4  Favored     ?     9  49.520    13  0.33    18  0.44  molprobity  1.000  
 42   42  mt        -89.4   138.1  Favored     ?    11  29.740     8  0.35    11  0.53  molprobity  1.000  
 43   43  t        -106.4   136.4  Favored     ?     5  36.520     6  0.19     8  0.34  molprobity  1.000  
 44   44  t        -100.2    99.8  Favored     ?     9  31.400     7  0.25    10  0.64  molprobity  1.000  
 45   45  ?         -80.9   -38.9  Favored     ?     5  33.300     5  0.22     7  0.28  molprobity  1.000  
 46   46  mm-40    -137.7   137.1  Favored     ?     8  36.880     9  0.27    12  0.70  molprobity  1.000  
 47   47  ?        -121.8  -104.1  Allowed     ?     3  28.850     4  0.65     5  0.54  molprobity  1.000  
 48   48  t80       -97.5   137.2  Favored     ?     9  27.500    12  0.69    16  0.58  molprobity  1.000  
 49   49  mtm-85   -122.1   132.8  Favored     ?    13  30.090    11  0.27    14  0.66  molprobity  1.000  
 50   50  p         -74.0   175.2  Favored     ?     5  31.270     6  0.31     8  0.62  molprobity  1.000  
 51   51  t80       -64.1   -41.6  Favored     ?     9  28.630    12  0.84    16  1.11  molprobity  1.000  
 52   52  ?         -68.5   -46.6  Favored     ?     5  27.520     5  0.28     7  0.30  molprobity  1.000  
 53   53  mt-10     -58.8   -37.5  Favored     ?     6  39.250     9  0.72    12  0.33  molprobity  1.000  
 54   54  tp60      -66.7   -43.0  Favored     ?     8  24.550     9  0.40    12  0.44  molprobity  1.000  
 55   55  m-20      -64.4   -27.1  Favored     ?     6  27.780     8  0.46    11  0.41  molprobity  1.000  
 56   56  ?         -68.8   -44.3  Favored     ?     5  29.340     5  0.26     7  0.27  molprobity  1.000  
 57   57  mt        -60.5   -44.8  Favored     ?    11  29.910     8  0.31    11  0.70  molprobity  1.000  
 58   58  t80       -61.4   -36.3  Favored     ?     9  27.310    13  0.35    18  0.31  molprobity  1.000  
 59   59  ?         -61.3   -29.1  Favored     ?     5  27.840     5  0.40     7  0.29  molprobity  1.000  
 60   60  tt0       -67.2   122.1  Favored     ?     8  44.980     9  0.45    12  0.36  molprobity  1.000  
 61   61  ?          79.7     5.3  Favored     ?     3  34.430     4  0.48     5  0.58  molprobity  1.000  
 62   62  mtt85    -124.0   -61.5  Allowed     ?    13  25.790    11  0.37    14  0.62  molprobity  1.000  
 63   63  p        -113.2    10.2  Favored     ?     7  29.530     7  0.30    10  0.58  molprobity  1.000  
 64   64  pttt     -160.7   156.4  Favored     ?    13  36.080     9  0.47    12  0.48  molprobity  1.000  
 65   65  Cg_exo    -58.6   161.1  Favored     ?     7  42.960     8  0.18    11  0.33  molprobity  1.000  
 66   66  ?         121.3  -176.1  Favored     ?     3  44.780     4  0.40     5  0.90  molprobity  1.000  
 67   67  t        -101.9   143.8  Favored     ?     5  51.640     6  0.31     8  0.37  molprobity  1.000  
 68   68  mm        -64.1   111.8  Allowed     ?    11  40.190     8  0.25    11  0.27  molprobity  1.000  
 69   69  m        -102.9   -29.6  Favored     ?     9  38.610     7  0.23    10  0.39  molprobity  1.000  
 70   70  t        -141.3   163.8  Favored     ?     7  32.960     7  0.36    10  0.83  molprobity  1.000  
 71   71  m-80     -117.6     8.0  Favored     ?     6  45.810     8  0.33    11  0.55  molprobity  1.000  
 72   72  ?        -107.7   130.6  Favored     ?     5  28.150     5  0.34     7  0.28  molprobity  1.000  
 73   73  mtt85     -70.7   165.9  Favored     ?    13  45.710    11  0.59    14  0.73  molprobity  1.000  
 74   74  ?         -49.8   130.2  Favored     ?     3  26.550     4  0.30     5  0.31  molprobity  1.000  
 75   75  ?          91.5   -16.6  Favored     ?     3  25.830     4  0.56     5  0.53  molprobity  1.000  
 76   76  mt-30    -103.8     0.4  Favored     ?     8  33.840     9  0.31    12  0.52  molprobity  1.000  
 77   77  t        -105.0   143.9  Favored     ?     5  24.800     6  0.14     8  0.41  molprobity  1.000  
 78   78  m-20      -70.8   -16.5  Favored     ?     6  24.430     8  0.24    11  0.31  molprobity  1.000  
 79   79  m-70      -64.6   -19.7  Favored     ?     7  25.730    11  0.21    15  0.54  molprobity  1.000  
 80   80  m-20      -75.2    -6.1  Favored     1     6  25.860     8  0.28    11  0.42  molprobity  1.000  
 81   81  m-85     -120.9     5.3  Favored     ?     9  24.510    13  0.46    18  0.65  molprobity  1.000  
 82   82  ?          73.2    21.3  Favored     ?     3  26.580     4  0.34     5  0.48  molprobity  1.000  
 83   83  m        -108.1     4.4  Favored     ?     9  21.640     7  0.32    10  0.43  molprobity  1.000  
 84   84  ?        -134.2   145.0  Favored     ?     5  20.500     5  0.45     7  0.38  molprobity  1.000  
 85   85  m        -130.8   151.2  Favored     ?     9  24.300     7  0.38    10  0.56  molprobity  1.000  
 86   86  m-20     -110.7   120.0  Favored     ?     4  29.460     8  0.37    11  0.98  molprobity  1.000  
 87   87  mt       -111.7   133.9  Favored     ?    11  28.350     8  0.23    11  0.39  molprobity  1.000  
 88   88  p        -125.3  -173.9  Favored     ?     5  37.640     6  0.43     8  0.50  molprobity  1.000  
 89   89  mt       -107.9   155.3  Favored     ?    11  38.550     8  0.23    11  0.61  molprobity  1.000  
 90   90  m-85      -95.5   146.8  Favored     ?     9  43.470    13  0.55    18  0.59  molprobity  1.000  
 91   91  p         -58.3   158.6  Favored     ?     7  55.480     7  0.30    10  0.56  molprobity  1.000  
 92   92  tp60      -59.5   -15.4  Favored     ?     8  67.780     9  0.54    12  0.56  molprobity  1.000  
 93   93  p-10     -112.9    -1.5  Favored     ?     4  62.690     8  0.49    11  0.91  molprobity  1.000  
 94   94  ?          79.0    15.3  Favored     ?     3  57.700     4  0.25     5  0.72  molprobity  1.000  
 95   95  p         -88.1   -18.4  Favored     ?     5  59.170     6  0.29     8  0.48  molprobity  1.000  
 96   96  t70      -152.7   164.7  Favored     ?     4  64.790     8  0.50    11  0.50  molprobity  1.000  
 97   97  m        -113.6   159.6  Favored     ?     9  50.950     7  0.28    10  0.56  molprobity  1.000  
 98   98  pt       -134.9   131.2  Favored     ?    11  50.400     8  0.35    11  0.60  molprobity  1.000  
 99   99  m95      -100.1   105.0  Favored     ?    10  42.820    16  0.37    23  0.47  molprobity  1.000  
100  100  t        -151.7   147.5  Favored     ?     7  51.690     7  0.41    10  0.68  molprobity  1.000  
101  101  m        -102.2     8.0  Favored     ?     9  49.120     7  0.61    10  0.65  molprobity  1.000  
102  102  mm-40     -96.8   148.8  Favored     ?     6  68.230     9  0.65    12  0.56  molprobity  1.000  
103  103  ?          64.5  -105.4  Allowed     ?     3  61.780     4  0.45     5  0.49  molprobity  1.000  
104  104  m-20      -67.7   -32.7  Favored     ?     6  52.760     8  0.27    11  0.40  molprobity  1.000  
105  105  t80       -65.2   -14.2  Favored     ?     9  47.040    12  0.43    16  0.30  molprobity  1.000  
106  106  mmm180    -80.6   -19.7  Favored     ?    13  61.950    11  0.55    14  1.07  molprobity  1.000  
107  107  mttp      -75.0   -36.8  Favored     ?    13  49.980     9  0.46    11  0.24  molprobity  1.000  
108  108  t         -58.0   -48.0  Favored     ?     9  33.720     7  0.49    10  0.46  molprobity  1.000  
109  109  mt        -61.4   -40.1  Favored     ?    11  35.490     8  0.31    11  0.39  molprobity  1.000  
110  110  ?         -62.5   -39.4  Favored     ?     5  34.420     5  0.26     7  0.43  molprobity  1.000  
111  111  ?         -75.3   -38.5  Favored     ?     5  31.990     5  0.28     7  0.25  molprobity  1.000  
112  112  mmm       -65.4   -41.1  Favored     ?     9  32.630     8  0.32    10  0.59  molprobity  1.000  
113  113  mttt      -63.0   -37.0  Favored     ?    13  35.610     9  0.29    11  0.32  molprobity  1.000  
114  114  ?         -64.0   -30.6  Favored     ?     5  36.960     5  0.24     7  0.33  molprobity  1.000  
115  115  mm-40     -78.3    -7.0  Favored     ?     8  34.830     9  0.30    12  0.58  molprobity  1.000  
116  116  ?         110.9     0.6  Favored     ?     3  38.160     4  0.29     5  0.71  molprobity  1.000  
117  117  m-85      -74.8   154.8  Favored     ?     9  30.000    12  0.50    16  0.38  molprobity  1.000  
118  118  mttt     -101.2   142.7  Favored     ?    13  48.010     9  0.54    11  0.50  molprobity  1.000  
119  119  t90       -99.5   134.7  Favored     ?    10  38.920    16  0.47    23  0.27  molprobity  1.000  
120  120  ?         -73.4    -6.6  Favored     ?     3  41.930     4  0.36     5  0.69  molprobity  1.000  
121  121  ?         -79.6    -6.1  Favored     ?     3  48.420     4  0.28     5  0.43  molprobity  1.000  
122  122  m-20      -94.8    -9.1  Favored     ?     4  48.730     8  0.40    11  0.49  molprobity  1.000  
123  123  m0        -71.4   140.0  Favored     ?    10  50.480    16  0.55    23  0.31  molprobity  1.000  
124  124  m         -91.0   -40.0  Favored     ?     9  61.530     7  0.28    10  0.96  molprobity  1.000  
125  125  t         -93.0   -30.1  Favored     ?     5  68.930     6  0.55     8  0.36  molprobity  1.000  
126  126  m-85      -83.5   -75.8  Allowed     ?     9  78.370    12  0.55    16  0.51  molprobity  1.000  
127  127  ttmm       64.6    92.2  Allowed     ?    13  64.110     9  0.33    11  0.72  molprobity  1.000  
128  128  t0       -124.0    97.1  Favored     ?     4  48.420     8  0.33    11  0.61  molprobity  1.000  
129  129  m-85      -72.2   -39.7  Favored     ?     9  62.380    13  0.58    19  0.64  molprobity  1.000  
130  130  Cg_endo   -80.6    12.1  Favored     ?     7  34.370     8  0.28    11  0.67  molprobity  1.000  
131  131  t60      -114.2   129.6  Favored     ?     7  26.040    11  0.26    15  0.33  molprobity  1.000  
132  132  m-85     -130.6   141.2  Favored     ?     9  27.900    12  0.45    16  0.61  molprobity  1.000  
133  133  mt-10    -125.6   128.9  Favored     ?     6  34.870     9  0.91    12  0.95  molprobity  1.000  
134  134  tp        -82.3   -33.7  Favored     ?    11  29.020     8  0.40    11  0.34  molprobity  1.000  
135  135  m-85     -135.8   149.5  Favored     ?     9  34.350    13  0.35    18  0.41  molprobity  1.000  
136  136  t0        -97.8    72.3  Favored     ?     4  35.150     8  0.32    11  0.64  molprobity  1.000  
137  137  t         -57.9   -39.2  Favored     ?     9  31.110     7  0.45    10  0.54  molprobity  1.000  
138  138  t         -71.2   -35.7  Favored     ?     9  32.650     7  0.30    10  0.49  molprobity  1.000  
139  139  ?         -75.5     7.2  Favored     ?     3  40.640     4  0.32     5  0.89  molprobity  1.000  
140  140  ?          99.0     3.0  Favored     ?     3  45.910     4  0.36     5  0.90  molprobity  1.000  
141  141  tt0       -74.9   138.0  Favored     ?     8  47.500     9  0.42    12  0.46  molprobity  1.000  
142  142  mttt     -104.6   117.4  Favored     ?    13  61.310     9  0.37    12  0.38  molprobity  1.000  
143  143  Cg_exo    -68.2   150.8  Favored     ?     7  42.810     8  0.43    12  0.33  molprobity  1.000  
144  144  Cg_endo   -66.5   167.0  Favored     ?     7  49.120     8  0.15    11  0.51  molprobity  1.000  
145  145  ?         -57.1   145.4  Favored     ?     5  56.770     5  0.35     7  0.59  molprobity  1.000  
146  146  t0        -71.0   102.4  Favored     ?     4  53.750     8  0.32    11  0.35  molprobity  1.000  
147  147  m-20      -95.0   -28.5  Favored     ?     6  75.580     8  0.38    11  0.39  molprobity  1.000  
148  148  ?          94.5  -161.7  Favored     ?     3  61.630     4  0.43     5  0.55  molprobity  1.000  
149  149  ?          84.5   145.8  Favored     ?     3  63.050     4  0.25     5  0.72  molprobity  1.000  
150  150  ?         -90.4  -152.9  Allowed     ?     5  67.250     5  0.41     7  0.29  molprobity  1.000  
151  151  t             ?       ?  ?           ?     9  62.110     6  0.26     7  0.31  molprobity  1.000  
152  152  ?             ?       ?  ?           ?     ?  30.100     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?  43.190     4  0.15     6  0.33  mogul       1.000  
154  154  ?             ?       ?  ?           ?     ?  53.750     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?     ?  27.400     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?     ?  35.810     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?     ?  30.280     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?  43.760     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?  18.490     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?  28.410     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?  32.890     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?  35.910     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?  41.450     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?  25.680     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?  31.220     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?  28.960     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?  35.890     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?  42.240     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?  43.200     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?  38.210     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?  44.800     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?  30.290     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?  39.130     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?  35.410     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?  39.230     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?  53.780     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?  39.210     ?     ?     ?     ?  ?           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   16  OD1    1  0.65  2.30  
 2   21  HD3    2  0.47  1.97  
 3   22  HG2    3  0.41  2.21  
 4   23  O      4  0.44  2.17  
 5   27  HG2    5  0.52  1.92  
 6   27  HG3    4  0.44  2.17  
 7   29  NH2    1  0.65  2.30  
 8   75  H      6  0.47  2.12  
 9   77  H      7  0.51  2.09  
10   80  ND2    7  0.51  2.09  
11   80  ND2    6  0.47  2.12  
12   83  HG12   2  0.47  1.97  
13   86  HA     8  0.46  2.15  
14   91  HG23   9  0.47  2.14  
15   96  O      9  0.47  2.14  
16  101  HG11  10  0.54  2.43  
17  106  NH1   11  0.47  2.84  
18  123  HB2   12  0.43  1.82  
19  127  HD3   13  0.55  2.07  
20  127  H     12  0.43  1.82  
21  129  OH    13  0.55  2.07  
22  129  CD2   10  0.54  2.43  
23  130  O      8  0.46  2.15  
24  131  HE2   14  0.44  1.81  
25  131  NE2   15  0.44  2.33  
26  133  HG3   14  0.44  1.81  
27  133  HG3   15  0.44  2.33  
28  146  OD2    3  0.41  2.21  
29  150  HA     5  0.52  1.92  
30  154  CL    11  0.47  2.84  
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   5  0.949  0.254   1.707  
  2    2   8  0.961  0.164   0.170  
  3    3   5  0.947  0.134  -0.238  
  4    4   8  0.965  0.101  -1.091  
  5    5   9  0.954  0.102  -1.007  
  6    6   7  0.958  0.147  -0.081  
  7    7   8  0.972  0.106  -1.010  
  8    8   8  0.974  0.109  -0.952  
  9    9   8  0.929  0.150  -0.179  
 10   10   9  0.955  0.177  -0.266  
 11   11   5  0.992  0.081  -1.097  
 12   12   8  0.977  0.103  -0.837  
 13   13  11  0.928  0.236   0.698  
 14   14   9  0.962  0.118  -0.998  
 15   15   8  0.982  0.096  -1.173  
 16   16   8  0.962  0.092  -0.999  
 17   17   7  0.971  0.103  -0.953  
 18   18   6  0.977  0.083  -1.048  
 19   19   4  0.974  0.096  -0.725  
 20   20   8  0.973  0.107  -0.761  
 21   21  11  0.973  0.107  -1.013  
 22   22   9  0.969  0.145  -0.663  
 23   23   8  0.975  0.112  -0.714  
 24   24   7  0.969  0.117  -0.719  
 25   25   5  0.984  0.119  -0.481  
 26   26   8  0.945  0.122  -0.573  
 27   27  11  0.979  0.100  -1.106  
 28   28   7  0.979  0.110  -0.682  
 29   29  11  0.962  0.138  -0.602  
 30   30   5  0.982  0.109  -0.643  
 31   31   7  0.986  0.112  -0.802  
 32   32   8  0.976  0.123  -0.717  
 33   33   7  0.971  0.117  -0.568  
 34   34   9  0.919  0.128  -0.653  
 35   35   8  0.969  0.111  -0.696  
 36   36  10  0.972  0.085  -1.069  
 37   37   5  0.961  0.142  -0.109  
 38   38   9  0.968  0.160  -0.218  
 39   39   4  0.976  0.099  -0.681  
 40   40   8  0.967  0.110  -0.935  
 41   41  12  0.937  0.181   0.496  
 42   42   8  0.973  0.145  -0.349  
 43   43   6  0.948  0.109  -0.461  
 44   44   7  0.983  0.111  -0.819  
 45   45   5  0.975  0.120  -0.465  
 46   46   9  0.967  0.089  -1.184  
 47   47   4  0.979  0.118  -0.401  
 48   48  11  0.954  0.114  -0.740  
 49   49  11  0.965  0.105  -1.040  
 50   50   6  0.972  0.104  -0.722  
 51   51  11  0.962  0.121  -0.623  
 52   52   5  0.980  0.117  -0.514  
 53   53   9  0.950  0.129  -0.742  
 54   54   9  0.982  0.075  -1.374  
 55   55   8  0.979  0.080  -1.175  
 56   56   5  0.980  0.101  -0.773  
 57   57   8  0.969  0.134  -0.553  
 58   58  12  0.984  0.123  -0.524  
 59   59   5  0.982  0.088  -0.984  
 60   60   9  0.955  0.143  -0.449  
 61   61   4  0.985  0.090  -0.813  
 62   62  11  0.967  0.096  -1.159  
 63   63   7  0.967  0.073  -1.282  
 64   64   9  0.945  0.183  -0.192  
 65   65   7  0.967  0.123  -0.391  
 66   66   4  0.983  0.084  -0.901  
 67   67   6  0.975  0.128  -0.349  
 68   68   8  0.971  0.138  -0.467  
 69   69   7  0.946  0.126  -0.568  
 70   70   7  0.962  0.123  -0.471  
 71   71   8  0.941  0.134  -0.382  
 72   72   5  0.975  0.134  -0.238  
 73   73  11  0.944  0.153  -0.403  
 74   74   4  0.987  0.093  -0.769  
 75   75   4  0.973  0.094  -0.754  
 76   76   9  0.947  0.121  -0.748  
 77   77   6  0.978  0.110  -0.629  
 78   78   8  0.977  0.111  -0.720  
 79   79  10  0.975  0.134  -0.332  
 80   80   8  0.983  0.113  -0.690  
 81   81  12  0.974  0.103  -0.875  
 82   82   4  0.975  0.116  -0.431  
 83   83   7  0.967  0.155  -0.082  
 84   84   5  0.988  0.153   0.070  
 85   85   7  0.987  0.127  -0.551  
 86   86   8  0.975  0.124  -0.545  
 87   87   8  0.976  0.140  -0.455  
 88   88   6  0.962  0.119  -0.263  
 89   89   8  0.954  0.143  -0.406  
 90   90  12  0.948  0.105  -0.840  
 91   91   7  0.928  0.098  -0.877  
 92   92   9  0.924  0.229   0.721  
 93   93   8  0.913  0.201   0.539  
 94   94   4  0.933  0.173   0.407  
 95   95   6  0.949  0.131  -0.303  
 96   96   8  0.842  0.183   0.286  
 97   97   7  0.971  0.163   0.052  
 98   98   8  0.943  0.150  -0.266  
 99   99  14  0.960  0.125  -0.438  
100  100   7  0.950  0.139  -0.211  
101  101   7  0.974  0.123  -0.618  
102  102   9  0.873  0.180  -0.108  
103  103   4  0.970  0.091  -0.799  
104  104   8  0.948  0.075  -1.248  
105  105  11  0.965  0.112  -0.774  
106  106  11  0.902  0.170  -0.178  
107  107   9  0.946  0.171  -0.341  
108  108   7  0.955  0.145  -0.250  
109  109   8  0.976  0.109  -0.952  
110  110   5  0.966  0.097  -0.838  
111  111   5  0.979  0.098  -0.822  
112  112   8  0.989  0.080  -1.203  
113  113   9  0.945  0.125  -0.911  
114  114   5  0.972  0.121  -0.449  
115  115   9  0.977  0.119  -0.776  
116  116   4  0.966  0.094  -0.754  
117  117  11  0.971  0.089  -1.159  
118  118   9  0.938  0.177  -0.266  
119  119  14  0.978  0.098  -0.944  
120  120   4  0.974  0.099  -0.681  
121  121   4  0.955  0.158   0.187  
122  122   8  0.936  0.128  -0.489  
123  123  14  0.961  0.145  -0.064  
124  124   7  0.954  0.181   0.353  
125  125   6  0.970  0.083  -1.048  
126  126  11  0.883  0.215   0.951  
127  127   9  0.876  0.224   0.316  
128  128   8  0.929  0.133  -0.418  
129  129  12  0.890  0.211   1.023  
130  130   7  0.980  0.092  -0.875  
131  131  10  0.966  0.119  -0.558  
132  132  11  0.980  0.106  -0.874  
133  133   9  0.969  0.089  -1.239  
134  134   8  0.983  0.083  -1.385  
135  135  12  0.978  0.098  -0.963  
136  136   8  0.966  0.096  -0.939  
137  137   7  0.988  0.091  -1.154  
138  138   7  0.964  0.120  -0.668  
139  139   4  0.978  0.098  -0.696  
140  140   4  0.984  0.166   0.304  
141  141   9  0.925  0.195   0.259  
142  142   9  0.930  0.255   0.700  
143  143   7  0.973  0.105  -0.672  
144  144   7  0.971  0.069  -1.234  
145  145   5  0.950  0.111  -0.611  
146  146   8  0.933  0.116  -0.658  
147  147   8  0.714  0.294   1.968  
148  148   4  0.946  0.174   0.422  
149  149   4  0.962  0.253   1.584  
150  150   5  0.904  0.192   0.702  
151  151   7  0.952  0.199   0.655  
152  152   1  0.998  0.114       ?  
153  153   5  0.991  0.102       ?  
154  154   1  0.958  0.123       ?  
155  155   1  0.995  0.108       ?  
156  156   1  0.966  0.130       ?  
157  157   1  0.982  0.228       ?  
158  158   1  0.855  0.353       ?  
159  159   1  0.984  0.096       ?  
160  160   1  0.981  0.100       ?  
161  161   1  0.909  0.156       ?  
162  162   1  0.948  0.153       ?  
163  163   1  0.970  0.275       ?  
164  164   1  0.984  0.236       ?  
165  165   1  0.912  0.205       ?  
166  166   1  0.994  0.103       ?  
167  167   1  0.864  0.441       ?  
168  168   1  0.930  0.266       ?  
169  169   1  0.953  0.091       ?  
170  170   1  0.965  0.121       ?  
171  171   1  0.938  0.259       ?  
172  172   1  0.952  0.144       ?  
173  173   1  0.940  0.211       ?  
174  174   1  0.971  0.112       ?  
175  175   1  0.792  0.137       ?  
176  176   1  0.897  0.104       ?  
177  177   1  0.825  0.234       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
