data_3L78

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3L78
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3L78
_pdbx_vrpt_summary.PDB_deposition_date         2009-12-28
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-11-01
_pdbx_vrpt_summary.report_creation_date        2023-11-02:14:35
_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  "Regulatory protein spx"  
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  1.9  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   29.67  141614     ?     ?  
 2  2  1   22.11    6847  1.90  1.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    6760  1.90  1.90  
 5  1  3   26.74  138945     ?     ?  
 6  2  3   17.19    6760  1.90  1.90  
 7  1  4   83.86  127900     ?     ?  
 8  2  4   85.33    6082  1.90  1.90  
 9  1  5   84.49  130704     ?     ?  
10  2  5   88.53    6207  1.90  1.90  
#
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   27.36  
4  6  3  A  1  1  A   17.97  
5  7  4  A  1  1  A   83.86  
6  8  4  A  1  1  A   85.33  
#
_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      0.46
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.26
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   971
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1312
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       4.63
_pdbx_vrpt_summary_geometry.clashscore                     9.41
_pdbx_vrpt_summary_geometry.num_H_reduce                   955
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 971
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.26
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1312
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.46
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 95.527
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            51.621
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         27.077
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.72(1.89A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        10096
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.220
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.383
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.480
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.315
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.959
_pdbx_vrpt_summary_diffraction.twin_fraction             k,h,-l:0.021
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.20
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               36.32
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[27.516,35.962,20.935,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.534
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 8.28% 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         99.88
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      485
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.80
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.85
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        36.32
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_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  .  ?        ?  
  2  1  1  A    2  VAL  A    2  .  ?        ?  
  3  1  1  A    3  THR  A    3  .  ?        ?  
  4  1  1  A    4  LEU  A    4  .  ?        ?  
  5  1  1  A    5  PHE  A    5  .  ?        ?  
  6  1  1  A    6  LEU  A    6  .  ?        ?  
  7  1  1  A    7  SER  A    7  .  ?        ?  
  8  1  1  A    8  PRO  A    8  .  ?        ?  
  9  1  1  A    9  SER  A    9  .  ?        ?  
 10  1  1  A   10  CYS  A   10  .  ?        ?  
 11  1  1  A   11  THR  A   11  .  ?        ?  
 12  1  1  A   12  SER  A   12  A  ?        ?  
 13  1  1  A   12  SER  A   12  B  ?        ?  
 14  1  1  A   13  CYS  A   13  .  ?        ?  
 15  1  1  A   14  ARG  A   14  .  ?        ?  
 16  1  1  A   15  LYS  A   15  .  ?        ?  
 17  1  1  A   16  ALA  A   16  .  ?        ?  
 18  1  1  A   17  ARG  A   17  .  ?        ?  
 19  1  1  A   18  ALA  A   18  .  ?        ?  
 20  1  1  A   19  TRP  A   19  .  ?        1  
 21  1  1  A   20  LEU  A   20  .  ?        ?  
 22  1  1  A   21  ASN  A   21  .  ?        ?  
 23  1  1  A   22  ARG  A   22  .  ?        ?  
 24  1  1  A   23  HIS  A   23  .  ?        1  
 25  1  1  A   24  ASP  A   24  .  ?        ?  
 26  1  1  A   25  VAL  A   25  .  ?        ?  
 27  1  1  A   26  VAL  A   26  .  ?        ?  
 28  1  1  A   27  PHE  A   27  .  ?        ?  
 29  1  1  A   28  GLN  A   28  .  ?        ?  
 30  1  1  A   29  GLU  A   29  .  ?        ?  
 31  1  1  A   30  HIS  A   30  .  ?        ?  
 32  1  1  A   31  ASN  A   31  .  ?        ?  
 33  1  1  A   32  ILE  A   32  .  ?        ?  
 34  1  1  A   33  MET  A   33  .  ?        2  
 35  1  1  A   34  THR  A   34  .  ?        ?  
 36  1  1  A   35  SER  A   35  .  ?        ?  
 37  1  1  A   36  PRO  A   36  .  ?        ?  
 38  1  1  A   37  LEU  A   37  .  ?        ?  
 39  1  1  A   38  SER  A   38  .  ?        ?  
 40  1  1  A   39  ARG  A   39  .  ?        6  
 41  1  1  A   40  ASP  A   40  .  ?        ?  
 42  1  1  A   41  GLU  A   41  .  ?        ?  
 43  1  1  A   42  LEU  A   42  .  ?        ?  
 44  1  1  A   43  LEU  A   43  .  ?        ?  
 45  1  1  A   44  LYS  A   44  .  ?        ?  
 46  1  1  A   45  ILE  A   45  .  ?        ?  
 47  1  1  A   46  LEU  A   46  .  ?        ?  
 48  1  1  A   47  SER  A   47  .  ?        ?  
 49  1  1  A   48  TYR  A   48  .  ?        ?  
 50  1  1  A   49  THR  A   49  .  ?        ?  
 51  1  1  A   50  GLU  A   50  .  ?        ?  
 52  1  1  A   51  ASN  A   51  .  ?        ?  
 53  1  1  A   52  GLY  A   52  .  ?        ?  
 54  1  1  A   53  THR  A   53  .  ?        ?  
 55  1  1  A   54  GLU  A   54  .  ?        ?  
 56  1  1  A   55  ASP  A   55  .  ?        ?  
 57  1  1  A   56  ILE  A   56  .  ?        ?  
 58  1  1  A   57  ILE  A   57  .  ?        ?  
 59  1  1  A   58  SER  A   58  .  ?        ?  
 60  1  1  A   59  THR  A   59  .  ?        ?  
 61  1  1  A   60  ARG  A   60  .  ?        7  
 62  1  1  A   61  SER  A   61  .  ?        1  
 63  1  1  A   62  LYS  A   62  .  ?        ?  
 64  1  1  A   63  VAL  A   63  .  ?        ?  
 65  1  1  A   64  PHE  A   64  .  ?        ?  
 66  1  1  A   65  GLN  A   65  .  ?        ?  
 67  1  1  A   66  LYS  A   66  .  ?        ?  
 68  1  1  A   67  LEU  A   67  .  ?        ?  
 69  1  1  A   68  ASP  A   68  .  ?        ?  
 70  1  1  A   69  ILE  A   69  .  ?        ?  
 71  1  1  A   70  ASP  A   70  .  ?        ?  
 72  1  1  A   71  VAL  A   71  .  ?        ?  
 73  1  1  A   72  ASP  A   72  .  ?        ?  
 74  1  1  A   73  GLU  A   73  .  ?        ?  
 75  1  1  A   74  LEU  A   74  .  ?        ?  
 76  1  1  A   75  SER  A   75  .  ?        ?  
 77  1  1  A   76  VAL  A   76  .  ?        ?  
 78  1  1  A   77  SER  A   77  A  ?        ?  
 79  1  1  A   77  SER  A   77  B  ?        ?  
 80  1  1  A   78  GLU  A   78  .  ?        ?  
 81  1  1  A   79  LEU  A   79  .  ?        ?  
 82  1  1  A   80  ILE  A   80  .  ?        ?  
 83  1  1  A   81  ASN  A   81  .  ?        ?  
 84  1  1  A   82  LEU  A   82  .  ?        ?  
 85  1  1  A   83  ILE  A   83  .  ?        ?  
 86  1  1  A   84  SER  A   84  .  ?        ?  
 87  1  1  A   85  LYS  A   85  .  ?        ?  
 88  1  1  A   86  ASN  A   86  .  ?        ?  
 89  1  1  A   87  PRO  A   87  .  ?        2  
 90  1  1  A   88  SER  A   88  .  ?        ?  
 91  1  1  A   89  LEU  A   89  .  ?        ?  
 92  1  1  A   90  LEU  A   90  .  ?        ?  
 93  1  1  A   91  ARG  A   91  A  ?        ?  
 94  1  1  A   91  ARG  A   91  B  ?        ?  
 95  1  1  A   92  ARG  A   92  .  ?        1  
 96  1  1  A   93  PRO  A   93  .  ?        1  
 97  1  1  A   94  ILE  A   94  .  ?        ?  
 98  1  1  A   95  ILE  A   95  .  ?        ?  
 99  1  1  A   96  MET  A   96  .  ?        ?  
100  1  1  A   97  ASP  A   97  .  ?        ?  
101  1  1  A   98  ASN  A   98  .  ?        ?  
102  1  1  A   99  LYS  A   99  .  ?        ?  
103  1  1  A  100  ARG  A  100  .  ?        ?  
104  1  1  A  101  MET  A  101  .  ?        ?  
105  1  1  A  102  GLN  A  102  .  ?        ?  
106  1  1  A  103  ILE  A  103  .  ?        ?  
107  1  1  A  104  GLY  A  104  .  ?        ?  
108  1  1  A  105  PHE  A  105  .  ?        ?  
109  1  1  A  106  ASN  A  106  .  ?        5  
110  1  1  A  107  GLU  A  107  .  ?        ?  
111  1  1  A  108  ASP  A  108  .  ?        3  
112  1  1  A  109  GLU  A  109  .  ?        ?  
113  1  1  A  110  ILE  A  110  .  ?        ?  
114  1  1  A  111  ARG  A  111  .  ?        6  
115  1  1  A  112  ALA  A  112  .  ?        ?  
116  1  1  A  113  PHE  A  113  .  ?        ?  
117  1  1  A  114  LEU  A  114  .  ?        ?  
118  1  1  A  115  PRO  A  115  .  ?        ?  
119  1  1  A  116  ARG  A  116  .  ?        ?  
120  1  1  A  117  ASP  A  117  .  ?        ?  
121  1  2  B    .  HOH  A  121  .  ?        ?  
122  1  2  B    .  HOH  A  122  .  ?        ?  
123  1  2  B    .  HOH  A  123  .  ?        ?  
124  1  2  B    .  HOH  A  124  .  ?        ?  
125  1  2  B    .  HOH  A  125  .  ?        ?  
126  1  2  B    .  HOH  A  126  .  ?        ?  
127  1  2  B    .  HOH  A  127  .  ?        ?  
128  1  2  B    .  HOH  A  128  .  ?        ?  
129  1  2  B    .  HOH  A  129  .  ?        ?  
130  1  2  B    .  HOH  A  130  .  ?        ?  
131  1  2  B    .  HOH  A  131  .  ?        ?  
132  1  2  B    .  HOH  A  132  .  ?        ?  
133  1  2  B    .  HOH  A  133  .  ?        ?  
134  1  2  B    .  HOH  A  134  .  ?        ?  
135  1  2  B    .  HOH  A  135  .  ?        ?  
136  1  2  B    .  HOH  A  136  .  ?        ?  
137  1  2  B    .  HOH  A  137  .  ?        ?  
138  1  2  B    .  HOH  A  138  .  ?        ?  
139  1  2  B    .  HOH  A  139  .  ?        ?  
140  1  2  B    .  HOH  A  140  .  ?        ?  
141  1  2  B    .  HOH  A  141  .  ?        ?  
142  1  2  B    .  HOH  A  142  .  ?        ?  
143  1  2  B    .  HOH  A  143  .  ?        ?  
144  1  2  B    .  HOH  A  144  .  ?        ?  
145  1  2  B    .  HOH  A  145  .  ?        ?  
146  1  2  B    .  HOH  A  146  .  ?        ?  
147  1  2  B    .  HOH  A  147  .  ?        ?  
148  1  2  B    .  HOH  A  148  .  ?        ?  
149  1  2  B    .  HOH  A  149  .  ?        ?  
150  1  2  B    .  HOH  A  150  .  ?        ?  
151  1  2  B    .  HOH  A  151  .  ?        ?  
152  1  2  B    .  HOH  A  152  .  ?        ?  
153  1  2  B    .  HOH  A  154  .  ?        ?  
154  1  2  B    .  HOH  A  155  .  ?        ?  
155  1  2  B    .  HOH  A  156  .  ?        ?  
156  1  2  B    .  HOH  A  157  .  ?        ?  
157  1  2  B    .  HOH  A  158  .  ?        ?  
158  1  2  B    .  HOH  A  159  .  ?        ?  
159  1  2  B    .  HOH  A  160  .  ?        ?  
160  1  2  B    .  HOH  A  161  .  ?        ?  
161  1  2  B    .  HOH  A  162  .  ?        ?  
162  1  2  B    .  HOH  A  163  .  ?        ?  
163  1  2  B    .  HOH  A  164  .  ?        ?  
164  1  2  B    .  HOH  A  165  .  ?        ?  
165  1  2  B    .  HOH  A  166  .  ?        ?  
166  1  2  B    .  HOH  A  167  .  ?        ?  
#
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.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  40.090     8  0.38    10  0.74  molprobity  1.000  
  2    2  t         -87.7   134.9  Favored     ?  ?        9  25.440     7  0.33    10  0.69  molprobity  1.000  
  3    3  m        -117.7   133.0  Favored     ?  ?        7  18.560     7  0.30    10  0.63  molprobity  1.000  
  4    4  tp       -111.5   103.5  Favored     ?  ?       11  17.410     8  0.25    11  0.34  molprobity  1.000  
  5    5  m-85      -85.3   124.4  Favored     ?  ?        9  20.160    12  0.37    16  0.34  molprobity  1.000  
  6    6  pp       -150.9  -179.8  Favored     ?  ?       11  18.950     8  0.33    11  0.57  molprobity  1.000  
  7    7  p        -148.9   172.3  Favored     ?  ?        5  25.180     6  0.30     9  0.70  molprobity  1.000  
  8    8  Cg_exo    -69.6   169.9  Favored     ?  ?        7  30.790     8  0.21    11  0.39  molprobity  1.000  
  9    9  m          53.1    45.9  Favored     ?  ?        5  20.910     6  0.28     8  0.36  molprobity  1.000  
 10   10  t        -133.9    99.8  Favored     ?  ?        4  19.170     6  0.30     8  0.38  molprobity  1.000  
 11   11  m         -65.1   -43.9  Favored     ?  ?        7  22.080     7  0.22    10  0.59  molprobity  1.000  
 12   12  m         -60.8   -33.7  Favored     ?  ?        5  22.380     6  0.14     8  0.26  molprobity  1.000  
 13   13  m         -60.8   -33.7  Favored     ?  ?        5  22.380     6  0.14     8  0.26  molprobity  1.000  
 14   14  m         -64.6   -47.5  Favored     ?  ?        3  18.820     6  0.45     8  0.35  molprobity  1.000  
 15   15  mtm-85    -60.9   -41.2  Favored     ?  ?       13  20.910    11  0.21    14  0.48  molprobity  1.000  
 16   16  mttt      -63.3   -42.0  Favored     ?  ?       13  27.670     9  0.24    11  0.35  molprobity  1.000  
 17   17  ?         -65.7   -42.2  Favored     ?  ?        5  21.100     5  0.18     7  0.31  molprobity  1.000  
 18   18  ttm180    -63.5   -45.7  Favored     ?  ?       13  33.260    11  0.32    14  0.44  molprobity  1.000  
 19   19  ?         -57.6   -43.1  Favored     ?  ?        5  24.300     5  0.34     7  0.24  molprobity  1.000  
 20   20  t90       -64.1   -45.6  Favored     ?  ?       10  24.370    16  0.29    23  0.24  molprobity  1.000  
 21   21  mt        -66.1   -41.0  Favored     ?  ?       11  19.550     8  0.27    11  0.41  molprobity  1.000  
 22   22  m-20      -61.2   -45.0  Favored     ?  ?        6  27.760     8  0.18    11  0.35  molprobity  1.000  
 23   23  ttp-105   -62.1   -31.2  Favored     ?  ?       13  49.350    11  0.24    14  0.43  molprobity  1.000  
 24   24  m-70      -96.5     8.7  Favored     1  ?        7  27.500    11  0.16    15  0.30  molprobity  1.000  
 25   25  t0         67.6    25.2  Favored     ?  ?        4  21.540     8  0.36    11  0.51  molprobity  1.000  
 26   26  t         -81.4   129.8  Favored     ?  ?        9  19.950     7  0.26    10  0.50  molprobity  1.000  
 27   27  t         -72.8   121.2  Favored     ?  ?        9  20.570     7  0.19    10  0.64  molprobity  1.000  
 28   28  p90      -143.7   150.2  Favored     ?  ?        9  19.630    12  0.36    16  0.35  molprobity  1.000  
 29   29  tt0       -96.2   110.0  Favored     ?  ?        8  22.660     9  0.35    12  0.50  molprobity  1.000  
 30   30  tt0       -81.0   123.6  Favored     ?  ?        6  23.280     9  0.40    12  0.40  molprobity  1.000  
 31   31  t-160    -119.7   103.3  Favored     ?  ?        7  21.990    11  0.17    15  0.27  molprobity  1.000  
 32   32  t-20      -83.0   109.2  Favored     ?  ?        6  30.480     8  0.28    11  0.40  molprobity  1.000  
 33   33  pp        -80.3     2.1  Favored     ?  ?       11  31.900     8  0.20    11  0.59  molprobity  1.000  
 34   34  ttm       -94.5   -44.7  Favored     ?  ?        9  44.630     8  0.33    10  0.51  molprobity  1.000  
 35   35  p         -80.0   -24.9  Favored     ?  ?        7  48.190     7  0.25    10  0.62  molprobity  1.000  
 36   36  t        -134.6   100.8  Favored     ?  ?        5  33.720     6  0.23     9  0.46  molprobity  1.000  
 37   37  Cg_exo    -57.9   147.1  Favored     ?  ?        7  32.520     8  0.16    11  0.31  molprobity  1.000  
 38   38  mt        -55.3   144.1  Favored     ?  ?       11  26.230     8  0.32    11  0.69  molprobity  1.000  
 39   39  p         -84.3   161.6  Favored     ?  ?        5  27.570     6  0.20     8  0.46  molprobity  1.000  
 40   40  ttm105    -58.7   -44.5  Favored     ?  ?       13  46.400    11  0.22    14  0.56  molprobity  1.000  
 41   41  m-20      -56.4   -43.9  Favored     ?  ?        4  39.820     8  0.18    11  0.34  molprobity  1.000  
 42   42  mt-10     -64.8   -46.6  Favored     ?  ?        6  29.230     9  0.32    12  0.33  molprobity  1.000  
 43   43  tp        -63.0   -43.6  Favored     ?  ?       11  22.560     8  0.31    11  0.29  molprobity  1.000  
 44   44  mt        -65.9   -37.4  Favored     ?  ?       11  23.140     8  0.26    11  0.42  molprobity  1.000  
 45   45  tttt      -64.8   -45.6  Favored     ?  ?       13  30.520     9  0.35    11  0.39  molprobity  1.000  
 46   46  mt        -54.0   -48.8  Favored     ?  ?       11  20.270     8  0.24    11  0.43  molprobity  1.000  
 47   47  mt        -59.9   -35.1  Favored     ?  ?       11  20.260     8  0.31    11  0.45  molprobity  1.000  
 48   48  p         -66.8   -18.1  Favored     ?  ?        5  24.190     6  0.30     8  0.24  molprobity  1.000  
 49   49  m-85      -95.7   -14.2  Favored     ?  ?        9  34.490    13  0.37    18  0.61  molprobity  1.000  
 50   50  p         -74.0   163.7  Favored     ?  ?        7  26.240     7  0.27    10  0.78  molprobity  1.000  
 51   51  mm-40     -86.9   -40.4  Favored     ?  ?        6  48.590     9  0.18    12  0.44  molprobity  1.000  
 52   52  m-20     -124.0    12.4  Favored     ?  ?        6  40.570     8  0.19    11  0.53  molprobity  1.000  
 53   53  ?          76.1  -140.4  Favored     ?  ?        3  28.330     4  0.26     5  0.54  molprobity  1.000  
 54   54  p         -50.9   -36.3  Favored     ?  ?        7  32.510     7  0.18    10  0.76  molprobity  1.000  
 55   55  pt-20     -67.2   -22.9  Favored     ?  ?        6  45.680     9  0.20    12  0.43  molprobity  1.000  
 56   56  m-20      -73.7   -29.1  Favored     ?  ?        4  31.590     8  0.16    11  0.30  molprobity  1.000  
 57   57  pt       -115.5   -14.3  Favored     ?  ?       11  27.950     8  0.24    11  0.55  molprobity  1.000  
 58   58  mm       -110.1   133.3  Favored     ?  ?       11  31.220     8  0.20    11  0.52  molprobity  1.000  
 59   59  m         -69.5    76.5  Allowed     ?  ?        5  45.810     6  0.18     8  0.59  molprobity  1.000  
 60   60  p         -68.1    -5.3  Favored     ?  ?        7  59.240     7  0.29    10  0.62  molprobity  1.000  
 61   61  OUTLIER   -96.2    -2.9  Favored     ?  ?       13  78.800    11  0.25    14  0.53  molprobity  1.000  
 62   62  t         -58.3   153.5  Favored     ?  ?        5  60.860     6  0.20     8  0.32  molprobity  1.000  
 63   63  ?         -75.7   -17.2  Favored     ?  ?        6  50.460     7  0.18     9  0.30  molprobity  1.000  
 64   64  t         -51.5   -39.8  Favored     ?  ?        9  45.260     7  0.16    10  0.51  molprobity  1.000  
 65   65  m-85      -71.0   -45.6  Favored     ?  ?        9  41.870    12  0.38    16  0.20  molprobity  1.000  
 66   66  ?         -59.2   -49.5  Favored     ?  ?        2  49.710     5  0.28     7  0.39  molprobity  1.000  
 67   67  mttp      -54.8   -38.5  Favored     ?  ?       13  53.610     9  0.25    11  0.39  molprobity  1.000  
 68   68  mt        -91.1    -0.5  Favored     ?  ?       11  46.120     8  0.21    11  0.31  molprobity  1.000  
 69   69  t0         55.2    44.9  Favored     ?  ?        4  51.540     8  0.15    11  0.28  molprobity  1.000  
 70   70  pt       -130.0   145.9  Favored     ?  ?       11  41.080     8  0.19    11  0.58  molprobity  1.000  
 71   71  t0        -95.2   132.1  Favored     ?  ?        4  46.170     8  0.17    11  0.44  molprobity  1.000  
 72   72  p         -53.8   -36.4  Favored     ?  ?        9  34.400     7  0.28    10  0.36  molprobity  1.000  
 73   73  m-20      -74.5    -8.1  Favored     ?  ?        4  38.900     8  0.17    11  0.43  molprobity  1.000  
 74   74  pt-20     -94.8    -8.1  Favored     ?  ?        6  28.520     9  0.51    12  0.38  molprobity  1.000  
 75   75  mt        -77.4   141.5  Favored     ?  ?       11  23.390     8  0.15    11  0.45  molprobity  1.000  
 76   76  p         -77.6   174.8  Favored     ?  ?        5  19.930     6  0.18     8  0.43  molprobity  1.000  
 77   77  t         -60.4   -48.4  Favored     ?  ?        9  20.080     7  0.19    10  0.38  molprobity  1.000  
 78   78  m         -62.8   -38.3  Favored     ?  ?        5  22.700     6  0.25     8  0.39  molprobity  1.000  
 79   79  m         -62.8   -38.3  Favored     ?  ?        5  22.700     6  0.25     8  0.39  molprobity  1.000  
 80   80  mt-10     -66.8   -42.6  Favored     ?  ?        6  23.060     9  0.40    12  0.40  molprobity  1.000  
 81   81  tp        -63.8   -41.3  Favored     ?  ?       11  26.280     8  0.24    11  0.37  molprobity  1.000  
 82   82  mt        -62.5   -45.9  Favored     ?  ?       11  26.500     8  0.19    11  0.38  molprobity  1.000  
 83   83  t-20      -59.7   -46.5  Favored     ?  ?        6  35.770     8  0.24    11  0.32  molprobity  1.000  
 84   84  OUTLIER   -60.8   -46.9  Favored     ?  ?       11  45.530     8  0.18    11  0.50  molprobity  1.000  
 85   85  mt        -59.5   -47.5  Favored     ?  ?       11  33.730     8  0.23    11  0.52  molprobity  1.000  
 86   86  p         -63.4   -29.1  Favored     ?  ?        5  41.400     6  0.28     8  0.29  molprobity  1.000  
 87   87  ?         -92.6   -10.4  Favored     ?  ?        2  40.190     5  0.11     7  0.20  molprobity  1.000  
 88   88  m120     -148.4    69.1  Favored     ?  ?        6  40.600     8  0.26    12  0.58  molprobity  1.000  
 89   89  Cg_exo    -51.3   -32.5  Favored     ?  ?        7  35.420     8  0.21    11  0.29  molprobity  1.000  
 90   90  p         -61.5   -11.1  Favored     ?  ?        5  39.340     6  0.27     8  0.35  molprobity  1.000  
 91   91  mt        -72.3   -28.2  Favored     ?  ?       11  35.270     8  0.22    11  0.61  molprobity  1.000  
 92   92  tp        -93.7   132.6  Favored     ?  ?       11  27.490     8  0.20    11  0.40  molprobity  1.000  
 93   93  mtt85     -73.6   117.8  Favored     ?  ?       13  31.630    11  0.16    14  0.47  molprobity  1.000  
 94   94  mtt85     -73.6   117.8  Favored     ?  ?       13  31.630    11  0.16    14  0.47  molprobity  1.000  
 95   95  mtm180   -126.6   160.7  Favored     ?  Y       12  25.190    11  0.25    15  0.68  molprobity  1.000  
 96   96  Cg_endo   -78.0   164.5  Favored     ?  ?        7  20.360     8  0.27    11  0.53  molprobity  1.000  
 97   97  mt       -110.0   124.3  Favored     ?  ?       11  19.470     8  0.37    11  0.49  molprobity  1.000  
 98   98  mt       -114.5   131.1  Favored     ?  ?       11  22.150     8  0.28    11  0.53  molprobity  1.000  
 99   99  ttp      -150.8   138.8  Favored     ?  ?        9  25.660     8  0.29    10  0.58  molprobity  1.000  
100  100  p30      -133.9  -165.6  Allowed     ?  ?        4  25.590     8  0.20    11  0.59  molprobity  1.000  
101  101  m120      -67.5   -12.5  Favored     1  ?        6  43.410     8  0.25    11  0.34  molprobity  1.000  
102  102  mttm     -117.0   -27.5  Favored     ?  ?       13  48.420     9  0.23    11  0.59  molprobity  1.000  
103  103  OUTLIER  -156.0   166.7  Favored     ?  ?       13  41.810    11  0.26    14  0.52  molprobity  1.000  
104  104  ttp      -145.5   142.3  Favored     ?  ?        9  26.110     8  0.43    10  0.46  molprobity  1.000  
105  105  mt-30    -127.2   138.0  Favored     ?  ?        8  22.150     9  0.31    12  0.42  molprobity  1.000  
106  106  mt       -105.3   120.5  Favored     ?  ?       11  25.310     8  0.19    11  0.44  molprobity  1.000  
107  107  ?          90.3   173.7  Favored     ?  ?        3  27.280     4  0.21     5  0.24  molprobity  1.000  
108  108  t80      -108.7   123.1  Favored     ?  ?        9  26.010    12  0.29    16  0.29  molprobity  1.000  
109  109  OUTLIER  -132.7   119.0  Favored     1  ?        6  36.170     8  0.29    11  0.37  molprobity  1.000  
110  110  mt-10     -50.2   -41.3  Favored     ?  ?        6  52.560     9  0.28    12  0.62  molprobity  1.000  
111  111  m-20      -75.9   -49.4  Favored     ?  ?        4  43.580     8  0.15    11  0.29  molprobity  1.000  
112  112  mm-40     -65.4   -38.1  Favored     ?  ?        6  48.300     9  0.22    12  0.39  molprobity  1.000  
113  113  tt        -62.8   -18.7  Favored     ?  ?       11  25.450     8  0.19    11  0.28  molprobity  1.000  
114  114  mtt-85    -58.6   -19.4  Favored     ?  ?       13  41.940    11  0.27    14  0.83  molprobity  1.000  
115  115  ?         -61.7   -20.1  Favored     ?  ?        5  29.430     5  0.26     7  0.33  molprobity  1.000  
116  116  m-85      -88.0    -2.4  Favored     ?  ?        9  24.020    12  0.28    16  0.37  molprobity  1.000  
117  117  mt        -68.7   140.2  Favored     ?  ?       11  25.960     8  0.23    12  0.38  molprobity  1.000  
118  118  Cg_exo    -51.1   133.6  Favored     ?  ?        7  34.770     8  0.14    11  0.41  molprobity  1.000  
119  119  ?        -142.6   165.2  Favored     ?  ?        2  55.550     5  0.28     7  0.34  molprobity  1.000  
120  120  t0            ?       ?  ?           ?  ?        4  81.440     7  0.10     8  0.40  molprobity  1.000  
121  121  ?             ?       ?  ?           ?  ?        ?  22.540     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?  ?        ?  16.560     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?  ?        ?  19.140     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?  ?        ?  21.600     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?  ?        ?  27.050     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?  ?        ?  28.980     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?  ?        ?  27.300     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?  ?        ?  25.510     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?  ?        ?  43.000     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?  ?        ?  25.210     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?  ?        ?  28.380     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?  ?        ?  32.320     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?  ?        ?  26.330     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?  ?        ?  27.760     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?  ?        ?  28.770     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?  ?        ?  37.660     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?  ?        ?  26.830     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  ?        ?  32.700     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  ?        ?  39.200     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?  ?        ?  32.730     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  ?        ?  29.320     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  ?        ?  26.700     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?  ?        ?  34.740     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  ?        ?  35.850     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  ?        ?  40.400     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  ?        ?  37.710     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?  ?        ?  33.700     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?  ?        ?  46.450     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  ?        ?  51.990     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?  ?        ?  48.700     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?  ?        ?  34.270     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?  ?        ?  35.880     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  ?        ?  30.630     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  ?        ?  42.790     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  ?        ?  39.730     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  ?        ?  53.950     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  ?        ?  47.160     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  ?        ?  48.190     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  ?        ?  40.230     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  ?        ?  36.910     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  ?        ?  31.990     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?  ?        ?  42.460     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?  ?        ?  44.140     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?  ?        ?  52.800     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?  ?        ?  47.790     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?  ?        ?  49.550     ?     ?     ?     ?  ?           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   20  O      1  0.46  1.99  
 2   24  HD2    1  0.46  1.99  
 3   34  CE     2  0.45  2.47  
 4   34  HE2    3  0.41  2.02  
 5   40  NH1    4  0.52  2.24  
 6   40  HB2    4  0.52  2.24  
 7   40  HB2    5  0.45  1.80  
 8   40  HH11   6  0.47  2.27  
 9   40  HH11   5  0.45  1.80  
10   40  CB     6  0.47  2.27  
11   61  HD3    7  0.74  1.52  
12   61  H      7  0.74  1.52  
13   61  H      8  0.51  2.19  
14   61  C      9  0.67  1.98  
15   61  HE     9  0.67  1.98  
16   61  HE    10  0.66  1.93  
17   61  CD     8  0.51  2.19  
18   62  N     10  0.66  1.93  
19   89  HG2    2  0.45  2.47  
20   89  HG2    3  0.41  2.02  
21   95  HB3   11  0.45  1.98  
22   96  HA    11  0.45  1.98  
23  109  C     12  0.52  2.13  
24  109  HD22  12  0.52  2.13  
25  109  HD22  13  0.50  1.59  
26  109  HD22  14  0.42  2.17  
27  109  ND2   15  0.52  2.07  
28  111  H     15  0.52  2.07  
29  111  H     13  0.50  1.59  
30  111  N     14  0.42  2.17  
31  114  HG2   16  0.87  1.39  
32  114  HH11  16  0.87  1.39  
33  114  HH11  17  0.76  1.98  
34  114  CG    17  0.76  1.98  
35  114  CG    18  0.55  2.63  
36  114  NH1   18  0.55  2.63  
#
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  0.938  0.130   0.422  
  2    2   7  0.914  0.134   0.573  
  3    3   7  0.972  0.085  -0.401  
  4    4   8  0.985  0.076  -0.810  
  5    5  11  0.975  0.106   0.021  
  6    6   8  0.980  0.106  -0.139  
  7    7   6  0.961  0.102  -0.127  
  8    8   7  0.959  0.079  -0.493  
  9    9   6  0.974  0.088  -0.378  
 10   10   6  0.989  0.083  -0.234  
 11   11   7  0.972  0.094  -0.225  
 12   12  12  0.963  0.122   0.231  
 13   13  12  0.963  0.122   0.231  
 14   14   6  0.991  0.087  -0.133  
 15   15  11  0.956  0.104  -0.427  
 16   16   9  0.968  0.105  -0.598  
 17   17   5  0.976  0.092  -0.204  
 18   18  11  0.918  0.152   0.316  
 19   19   5  0.971  0.095  -0.143  
 20   20  14  0.968  0.093  -0.168  
 21   21   8  0.973  0.095  -0.385  
 22   22   8  0.956  0.134   0.320  
 23   23  11  0.902  0.158   0.409  
 24   24  10  0.968  0.093  -0.293  
 25   25   8  0.982  0.078  -0.652  
 26   26   7  0.968  0.086  -0.493  
 27   27   7  0.966  0.093  -0.338  
 28   28  11  0.965  0.087  -0.420  
 29   29   9  0.969  0.102  -0.411  
 30   30   9  0.963  0.089  -0.739  
 31   31  10  0.973  0.102  -0.135  
 32   32   8  0.968  0.104  -0.177  
 33   33   8  0.935  0.133   0.479  
 34   34   8  0.889  0.119   0.204  
 35   35   7  0.934  0.129   0.460  
 36   36   6  0.947  0.108  -0.020  
 37   37   7  0.964  0.090  -0.287  
 38   38   8  0.968  0.099  -0.295  
 39   39   6  0.959  0.099  -0.181  
 40   40  11  0.941  0.192   0.935  
 41   41   8  0.939  0.114  -0.078  
 42   42   9  0.964  0.108  -0.470  
 43   43   8  0.980  0.100  -0.273  
 44   44   8  0.971  0.104  -0.183  
 45   45   9  0.951  0.139  -0.103  
 46   46   8  0.960  0.090  -0.502  
 47   47   8  0.982  0.094  -0.407  
 48   48   6  0.954  0.077  -0.575  
 49   49  12  0.950  0.138   0.805  
 50   50   7  0.949  0.080  -0.499  
 51   51   9  0.906  0.182   0.575  
 52   52   8  0.932  0.111  -0.061  
 53   53   4  0.990  0.082  -0.359  
 54   54   7  0.952  0.113   0.147  
 55   55   9  0.930  0.113  -0.400  
 56   56   8  0.980  0.080  -0.620  
 57   57   8  0.975  0.099  -0.297  
 58   58   8  0.956  0.098  -0.320  
 59   59   6  0.817  0.145   0.643  
 60   60   7  0.688  0.329   4.374  
 61   61  11  0.804  0.235   1.601  
 62   62   6  0.805  0.159   0.894  
 63   63   7  0.933  0.091  -0.802  
 64   64   7  0.927  0.155   1.040  
 65   65  11  0.910  0.137   0.740  
 66   66   5  0.890  0.093  -0.551  
 67   67   9  0.905  0.193   0.683  
 68   68   8  0.942  0.148   0.801  
 69   69   8  0.928  0.142   0.368  
 70   70   8  0.941  0.158   1.050  
 71   71   8  0.943  0.113  -0.094  
 72   72   7  0.969  0.127   0.418  
 73   73   8  0.944  0.128   0.145  
 74   74   9  0.938  0.132  -0.131  
 75   75   8  0.964  0.090  -0.497  
 76   76   6  0.980  0.094  -0.271  
 77   77   7  0.971  0.096  -0.271  
 78   78   9  0.962  0.131   0.392  
 79   79   9  0.962  0.131   0.392  
 80   80   9  0.983  0.083  -0.823  
 81   81   8  0.973  0.081  -0.698  
 82   82   8  0.962  0.087  -0.571  
 83   83   8  0.925  0.151   0.601  
 84   84   8  0.962  0.140   0.622  
 85   85   8  0.966  0.092  -0.457  
 86   86   6  0.936  0.117   0.142  
 87   87   5  0.840  0.140  -0.089  
 88   88   8  0.930  0.106  -0.144  
 89   89   7  0.960  0.110   0.088  
 90   90   6  0.949  0.095  -0.253  
 91   91   8  0.947  0.102  -0.228  
 92   92   8  0.973  0.130   0.398  
 93   93  22  0.923  0.152   0.316  
 94   94  22  0.923  0.152   0.316  
 95   95  11  0.951  0.091  -0.628  
 96   96   7  0.965  0.085  -0.380  
 97   97   8  0.975  0.082  -0.685  
 98   98   8  0.975  0.095  -0.388  
 99   99   8  0.976  0.091  -0.350  
100  100   8  0.969  0.092  -0.429  
101  101   8  0.945  0.127   0.204  
102  102   9  0.949  0.147   0.013  
103  103  11  0.939  0.143   0.176  
104  104   8  0.978  0.087  -0.430  
105  105   9  0.965  0.089  -0.613  
106  106   8  0.978  0.102  -0.228  
107  107   4  0.958  0.070  -0.573  
108  108  11  0.980  0.108   0.067  
109  109   8  0.948  0.136   0.353  
110  110   9  0.910  0.167   0.363  
111  111   8  0.936  0.134   0.241  
112  112   9  0.962  0.151   0.137  
113  113   8  0.972  0.096  -0.365  
114  114  11  0.904  0.171   0.610  
115  115   5  0.970  0.094  -0.163  
116  116  11  0.946  0.104  -0.026  
117  117   8  0.963  0.087  -0.564  
118  118   7  0.959  0.095  -0.193  
119  119   5  0.812  0.122  -0.149  
120  120   8  0.549  0.222   1.644  
121  121   1  0.982  0.120       ?  
122  122   1  0.994  0.089       ?  
123  123   1  0.994  0.122       ?  
124  124   1  0.988  0.088       ?  
125  125   1  0.953  0.126       ?  
126  126   1  0.990  0.120       ?  
127  127   1  0.965  0.157       ?  
128  128   1  0.980  0.119       ?  
129  129   1  0.875  0.210       ?  
130  130   1  0.975  0.141       ?  
131  131   1  0.975  0.086       ?  
132  132   1  0.944  0.146       ?  
133  133   1  0.978  0.097       ?  
134  134   1  0.958  0.136       ?  
135  135   1  0.986  0.202       ?  
136  136   1  0.961  0.206       ?  
137  137   1  0.880  0.138       ?  
138  138   1  0.970  0.082       ?  
139  139   1  0.973  0.260       ?  
140  140   1  0.921  0.169       ?  
141  141   1  0.953  0.110       ?  
142  142   1  0.917  0.142       ?  
143  143   1  0.871  0.169       ?  
144  144   1  0.957  0.111       ?  
145  145   1  0.921  0.131       ?  
146  146   1  0.868  0.178       ?  
147  147   1  0.970  0.088       ?  
148  148   1  0.725  0.180       ?  
149  149   1  0.870  0.300       ?  
150  150   1  0.830  0.318       ?  
151  151   1  0.920  0.261       ?  
152  152   1  0.964  0.083       ?  
153  153   1  0.816  0.174       ?  
154  154   1  0.788  0.216       ?  
155  155   1  0.895  0.250       ?  
156  156   1  0.887  0.317       ?  
157  157   1  0.800  0.157       ?  
158  158   1  0.936  0.236       ?  
159  159   1  0.938  0.128       ?  
160  160   1  0.944  0.087       ?  
161  161   1  0.879  0.148       ?  
162  162   1  0.876  0.218       ?  
163  163   1  0.932  0.129       ?  
164  164   1  0.878  0.224       ?  
165  165   1  0.870  0.100       ?  
166  166   1  0.892  0.213       ?  
#
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          2.36                                                                  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  
##
