data_7BAT

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7BAT
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7BAT
_pdbx_vrpt_summary.PDB_deposition_date         2020-12-16
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2021-11-17
_pdbx_vrpt_summary.report_creation_date        2021-11-11:12:07
_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      CC-Type2-(GgIaId)4  
2  non-polymer  N-PROPANOL          
3  water        water               
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  1  
C  1  
D  2  
E  2  
F  2  
G  3  
H  3  
I  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.77  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   31.45   10184  1.76  1.80  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00   10051  1.76  1.80  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00   10050  1.76  1.80  
 7  1  4    6.23  127900     ?     ?  
 8  2  4    6.05    9032  1.76  1.80  
 9  1  5   27.11  130704     ?     ?  
10  2  5    8.23    9185  1.76  1.80  
#
loop_
_pdbx_vrpt_percentile_entity_view.ordinal
_pdbx_vrpt_percentile_entity_view.conditions_id
_pdbx_vrpt_percentile_entity_view.type_id
_pdbx_vrpt_percentile_entity_view.label_asym_id
_pdbx_vrpt_percentile_entity_view.PDB_model_num
_pdbx_vrpt_percentile_entity_view.entity_id
_pdbx_vrpt_percentile_entity_view.auth_asym_id
_pdbx_vrpt_percentile_entity_view.rank
 1  3  2  A  1  1  A  100.00  
 2  4  2  A  1  1  A  100.00  
 3  5  3  A  1  1  A  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A   44.79  
 6  8  4  A  1  1  A   43.51  
 7  3  2  B  1  1  B  100.00  
 8  4  2  B  1  1  B  100.00  
 9  5  3  B  1  1  B  100.00  
10  6  3  B  1  1  B  100.00  
11  7  4  B  1  1  B    0.61  
12  8  4  B  1  1  B    0.49  
13  3  2  C  1  1  C  100.00  
14  4  2  C  1  1  C  100.00  
15  5  3  C  1  1  C  100.00  
16  6  3  C  1  1  C  100.00  
17  7  4  C  1  1  C   15.51  
18  8  4  C  1  1  C   15.07  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.67  0.73   202   271  
2  1  1  B  B  0.69  0.72   205   272  
3  1  1  C  C  0.65  0.75   193   260  
4  1  2  D  A     ?     ?     ?     ?  
5  1  2  E  B     ?     ?     ?     ?  
6  1  2  F  C     ?     ?     ?     ?  
7  1  3  G  A     ?     ?     ?     ?  
8  1  3  H  B     ?     ?     ?     ?  
9  1  3  I  C     ?     ?     ?     ?  
#
_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                     6.45
_pdbx_vrpt_summary_geometry.num_H_reduce                   627
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 600
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.73
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                803
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.67
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         41.998
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.95(1.77A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        10911
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.518
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.356
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.948
_pdbx_vrpt_summary_diffraction.DCC_R                     0.27
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.26
_pdbx_vrpt_summary_diffraction.EDS_R                     0.26
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.77
_pdbx_vrpt_summary_diffraction.EDS_res_low               40.48
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[38.690,39.581,49.000,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.243
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 40.53 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 2.6986e-04. The detected translational NCS is most likely also responsible for the elevated intensity ratio.  See the relevant section of the logfile for more details."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         4
_pdbx_vrpt_summary_diffraction.centric_outliers          3
_pdbx_vrpt_summary_diffraction.data_completeness         99.95
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      514
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.71
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     10.34
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.77
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        40.48
_pdbx_vrpt_summary_diffraction.PDB_R                     0.26
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.26
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   1  ACE  A    0  .  ?        ?  
  2  1  1  A   2  GLY  A    1  .  ?        ?  
  3  1  1  A   3  GLU  A    2  .  ?        ?  
  4  1  1  A   4  ILE  A    3  .  ?        ?  
  5  1  1  A   5  ALA  A    4  .  ?        ?  
  6  1  1  A   6  GLN  A    5  .  ?        ?  
  7  1  1  A   7  GLY  A    6  .  ?        ?  
  8  1  1  A   8  ILE  A    7  .  ?        ?  
  9  1  1  A   9  LYS  A    8  .  ?        ?  
 10  1  1  A  10  GLU  A    9  .  ?        ?  
 11  1  1  A  11  ILE  A   10  .  ?        ?  
 12  1  1  A  12  ALA  A   11  .  ?        ?  
 13  1  1  A  13  LYS  A   12  .  ?        ?  
 14  1  1  A  14  GLY  A   13  .  ?        ?  
 15  1  1  A  15  ILE  A   14  .  ?        ?  
 16  1  1  A  16  LYS  A   15  .  ?        ?  
 17  1  1  A  17  GLU  A   16  .  ?        ?  
 18  1  1  A  18  ILE  A   17  .  ?        ?  
 19  1  1  A  19  ALA  A   18  .  ?        ?  
 20  1  1  A  20  TRP  A   19  .  ?        ?  
 21  1  1  A  21  GLY  A   20  .  ?        ?  
 22  1  1  A  22  ILE  A   21  .  ?        ?  
 23  1  1  A  23  LYS  A   22  .  ?        ?  
 24  1  1  A  24  GLU  A   23  .  ?        ?  
 25  1  1  A  25  ILE  A   24  .  ?        ?  
 26  1  1  A  26  ALA  A   25  .  ?        ?  
 27  1  1  A  27  GLN  A   26  .  ?        ?  
 28  1  1  A  28  GLY  A   27  .  ?        ?  
 29  1  1  A  29  ILE  A   28  .  ?        ?  
 30  1  1  A  30  LYS  A   29  .  ?        ?  
 31  1  1  B   2  GLY  B    1  .  ?        ?  
 32  1  1  B   3  GLU  B    2  .  ?        ?  
 33  1  1  B   4  ILE  B    3  .  ?        ?  
 34  1  1  B   5  ALA  B    4  .  ?        ?  
 35  1  1  B   6  GLN  B    5  .  ?        ?  
 36  1  1  B   7  GLY  B    6  .  ?        ?  
 37  1  1  B   8  ILE  B    7  .  ?        ?  
 38  1  1  B   9  LYS  B    8  .  ?        ?  
 39  1  1  B  10  GLU  B    9  .  ?        ?  
 40  1  1  B  11  ILE  B   10  .  ?        ?  
 41  1  1  B  12  ALA  B   11  .  ?        ?  
 42  1  1  B  13  LYS  B   12  .  ?        ?  
 43  1  1  B  14  GLY  B   13  .  ?        ?  
 44  1  1  B  15  ILE  B   14  .  ?        ?  
 45  1  1  B  16  LYS  B   15  .  ?        ?  
 46  1  1  B  17  GLU  B   16  .  ?        ?  
 47  1  1  B  18  ILE  B   17  .  ?        ?  
 48  1  1  B  19  ALA  B   18  .  ?        ?  
 49  1  1  B  20  TRP  B   19  .  ?        ?  
 50  1  1  B  21  GLY  B   20  .  ?        ?  
 51  1  1  B  22  ILE  B   21  .  ?        ?  
 52  1  1  B  23  LYS  B   22  .  ?        ?  
 53  1  1  B  24  GLU  B   23  .  ?        ?  
 54  1  1  B  25  ILE  B   24  .  ?        ?  
 55  1  1  B  26  ALA  B   25  .  ?        ?  
 56  1  1  B  27  GLN  B   26  .  ?        ?  
 57  1  1  B  28  GLY  B   27  .  ?        ?  
 58  1  1  B  29  ILE  B   28  .  ?        ?  
 59  1  1  B  30  LYS  B   29  .  ?        ?  
 60  1  1  B  31  GLY  B   30  .  ?        ?  
 61  1  1  C   1  ACE  C    0  .  ?        ?  
 62  1  1  C   2  GLY  C    1  .  ?        ?  
 63  1  1  C   3  GLU  C    2  .  ?        ?  
 64  1  1  C   4  ILE  C    3  .  ?        ?  
 65  1  1  C   5  ALA  C    4  .  ?        ?  
 66  1  1  C   6  GLN  C    5  .  ?        ?  
 67  1  1  C   7  GLY  C    6  .  ?        ?  
 68  1  1  C   8  ILE  C    7  .  ?        ?  
 69  1  1  C   9  LYS  C    8  .  ?        ?  
 70  1  1  C  10  GLU  C    9  .  ?        ?  
 71  1  1  C  11  ILE  C   10  .  ?        ?  
 72  1  1  C  12  ALA  C   11  .  ?        ?  
 73  1  1  C  13  LYS  C   12  .  ?        ?  
 74  1  1  C  14  GLY  C   13  .  ?        ?  
 75  1  1  C  15  ILE  C   14  .  ?        ?  
 76  1  1  C  16  LYS  C   15  .  ?        ?  
 77  1  1  C  17  GLU  C   16  .  ?        ?  
 78  1  1  C  18  ILE  C   17  .  ?        ?  
 79  1  1  C  19  ALA  C   18  .  ?        ?  
 80  1  1  C  20  TRP  C   19  .  ?        ?  
 81  1  1  C  21  GLY  C   20  .  ?        ?  
 82  1  1  C  22  ILE  C   21  .  ?        ?  
 83  1  1  C  23  LYS  C   22  .  ?        ?  
 84  1  1  C  24  GLU  C   23  .  ?        ?  
 85  1  1  C  25  ILE  C   24  .  ?        ?  
 86  1  1  C  26  ALA  C   25  .  ?        ?  
 87  1  1  C  27  GLN  C   26  .  ?        ?  
 88  1  1  C  28  GLY  C   27  .  ?        ?  
 89  1  1  C  29  ILE  C   28  .  ?        ?  
 90  1  2  D   .  POL  A  101  .  ?        2  
 91  1  2  E   .  POL  B  101  .  ?        ?  
 92  1  2  F   .  POL  C  101  .  ?        6  
 93  1  3  G   .  HOH  A  201  .  ?        ?  
 94  1  3  G   .  HOH  A  202  .  ?        ?  
 95  1  3  G   .  HOH  A  203  .  ?        ?  
 96  1  3  G   .  HOH  A  204  .  ?        ?  
 97  1  3  G   .  HOH  A  205  .  ?        ?  
 98  1  3  G   .  HOH  A  206  .  ?        2  
 99  1  3  G   .  HOH  A  207  .  ?        ?  
100  1  3  G   .  HOH  A  208  .  ?        ?  
101  1  3  H   .  HOH  B  201  .  ?        ?  
102  1  3  H   .  HOH  B  202  .  ?        ?  
103  1  3  H   .  HOH  B  203  .  ?        ?  
104  1  3  H   .  HOH  B  204  .  ?        ?  
105  1  3  H   .  HOH  B  205  .  ?        ?  
106  1  3  H   .  HOH  B  206  .  ?        ?  
107  1  3  H   .  HOH  B  207  .  ?        ?  
108  1  3  I   .  HOH  C  201  .  ?        3  
109  1  3  I   .  HOH  C  202  .  ?        ?  
110  1  3  I   .  HOH  C  203  .  ?        3  
111  1  3  I   .  HOH  C  204  .  ?        ?  
112  1  3  I   .  HOH  C  205  .  ?        ?  
113  1  3  I   .  HOH  C  206  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ?           ?       ?  ?           3  76.300     1  0.63     2  0.63  molprobity  1.000  
  2    2  ?       114.2   149.5  Favored     3  70.670     4  1.67     5  1.07  molprobity  1.000  
  3    3  ?       -63.1   -41.8  Favored     2  68.970     5  0.83     7  0.88  molprobity  1.000  
  4    4  mt      -64.5   -50.1  Favored    11  63.570     8  0.77    11  0.57  molprobity  1.000  
  5    5  ?       -54.9   -46.4  Favored     5  61.370     5  0.72     7  0.87  molprobity  1.000  
  6    6  ?       -62.1   -48.7  Favored     4  59.740     6  0.75     8  0.55  molprobity  1.000  
  7    7  ?       -58.1   -46.4  Favored     3  52.690     4  0.74     5  0.87  molprobity  1.000  
  8    8  mt      -61.9   -41.1  Favored    11  50.260     8  0.67    11  0.67  molprobity  1.000  
  9    9  ?       -62.3   -45.6  Favored     2  48.740     5  0.80     7  0.73  molprobity  1.000  
 10   10  mt-10   -65.4   -39.3  Favored     6  56.210     9  0.52    12  0.56  molprobity  1.000  
 11   11  mt      -64.0   -48.8  Favored    11  43.100     8  0.76    11  0.62  molprobity  1.000  
 12   12  ?       -53.6   -47.5  Favored     5  45.050     5  0.63     7  0.92  molprobity  1.000  
 13   13  ?       -59.9   -48.3  Favored     4  48.420     6  0.90     8  0.49  molprobity  1.000  
 14   14  ?       -64.2   -40.2  Favored     3  41.310     4  0.66     5  0.85  molprobity  1.000  
 15   15  mm      -64.2   -40.7  Favored    11  39.940     8  0.72    11  0.40  molprobity  1.000  
 16   16  ?       -59.9   -42.9  Favored     4  44.380     6  0.75     8  0.66  molprobity  1.000  
 17   17  mt-10   -66.4   -42.2  Favored     6  49.420     9  0.45    12  0.44  molprobity  1.000  
 18   18  mt      -62.0   -44.4  Favored    11  34.610     8  0.72    11  0.52  molprobity  1.000  
 19   19  ?       -57.8   -46.8  Favored     5  37.760     5  0.87     7  0.87  molprobity  1.000  
 20   20  t90     -58.8   -50.9  Favored    10  51.250    16  0.48    23  0.33  molprobity  1.000  
 21   21  ?       -62.4   -39.1  Favored     3  37.670     4  0.88     5  0.60  molprobity  1.000  
 22   22  mm      -65.3   -42.1  Favored    11  37.140     8  0.69    11  0.60  molprobity  1.000  
 23   23  mttt    -63.4   -40.8  Favored    13  47.630     9  0.52    11  1.03  molprobity  1.000  
 24   24  mm-40   -59.7   -46.9  Favored     6  47.730     9  0.80    12  0.61  molprobity  1.000  
 25   25  mt      -61.6   -49.9  Favored    11  37.640     8  0.66    11  0.62  molprobity  1.000  
 26   26  ?       -57.2   -45.0  Favored     5  42.360     5  0.89     7  0.52  molprobity  1.000  
 27   27  tt0     -70.8   -42.8  Favored     8  53.880     9  0.69    12  0.73  molprobity  1.000  
 28   28  ?       -63.5   -27.8  Favored     3  63.330     4  0.78     5  1.04  molprobity  1.000  
 29   29  mt      -75.8   -28.3  Favored    11  67.290     8  0.71    11  0.68  molprobity  1.000  
 30   30  mttm        ?       ?  ?          13  82.180     8  0.58     8  0.48  molprobity  1.000  
 31   31  ?           ?       ?  ?           5  69.250     4  1.39     5  0.89  molprobity  1.000  
 32   32  ?       -63.4   -42.0  Favored     2  68.070     5  0.84     7  0.86  molprobity  1.000  
 33   33  mt      -64.7   -49.7  Favored    11  65.600     8  0.71    11  0.59  molprobity  1.000  
 34   34  ?       -53.8   -47.4  Favored     1  61.460     4  0.82     5  0.82  molprobity  1.000  
 35   35  ?       -62.0   -48.9  Favored     2  56.760     5  0.84     7  0.59  molprobity  1.000  
 36   36  ?       -57.6   -47.1  Favored     3  50.080     4  0.87     5  0.95  molprobity  1.000  
 37   37  mm      -60.8   -41.7  Favored    11  50.570     8  0.72    11  0.54  molprobity  1.000  
 38   38  ?       -63.0   -44.6  Favored     4  49.150     6  0.65     8  0.66  molprobity  1.000  
 39   39  ?       -66.7   -38.4  Favored     4  44.330     6  0.63     8  0.67  molprobity  1.000  
 40   40  mt      -63.8   -49.4  Favored    11  40.140     8  0.73    11  0.72  molprobity  1.000  
 41   41  ?       -52.9   -48.2  Favored     5  43.170     5  0.65     7  1.01  molprobity  1.000  
 42   42  ?       -59.3   -49.0  Favored     6  47.610     7  0.87     9  0.56  molprobity  1.000  
 43   43  ?       -64.2   -39.4  Favored     3  38.750     4  0.71     5  0.84  molprobity  1.000  
 44   44  mm      -66.2   -40.3  Favored    11  37.620     8  0.72    11  0.65  molprobity  1.000  
 45   45  mtmt    -59.6   -43.8  Favored    13  51.210     9  0.55    11  0.70  molprobity  1.000  
 46   46  mt-10   -66.0   -43.4  Favored     6  47.350     9  0.63    12  0.50  molprobity  1.000  
 47   47  mt      -60.7   -45.6  Favored    11  33.970     8  0.79    11  0.55  molprobity  1.000  
 48   48  ?       -57.9   -45.8  Favored     5  36.160     5  0.75     7  0.79  molprobity  1.000  
 49   49  t-105   -59.4   -50.9  Favored    10  45.230    16  0.53    23  0.54  molprobity  1.000  
 50   50  ?       -62.5   -39.0  Favored     3  35.590     4  0.64     5  0.70  molprobity  1.000  
 51   51  mm      -64.8   -41.9  Favored    11  35.700     8  0.71    11  0.54  molprobity  1.000  
 52   52  mtpt    -61.3   -43.0  Favored    13  50.780     9  0.70    11  0.76  molprobity  1.000  
 53   53  mt-10   -61.2   -46.1  Favored     6  53.480     9  0.56    12  0.58  molprobity  1.000  
 54   54  mt      -60.5   -50.2  Favored    11  42.220     8  0.70    11  0.67  molprobity  1.000  
 55   55  ?       -57.2   -45.4  Favored     5  44.070     5  0.89     7  0.54  molprobity  1.000  
 56   56  tm0?    -71.0   -42.2  Favored     8  60.740     9  0.55    12  0.74  molprobity  1.000  
 57   57  ?       -63.5   -27.6  Favored     3  63.470     4  0.81     5  1.04  molprobity  1.000  
 58   58  mt      -74.3   -20.0  Favored    11  68.500     8  0.69    11  0.72  molprobity  1.000  
 59   59  mmtt    -73.9   -20.6  Favored    13  83.100     9  0.71    11  0.93  molprobity  1.000  
 60   60  ?           ?       ?  ?           3  90.690     3  0.85     2  0.41  molprobity  1.000  
 61   61  ?           ?       ?  ?           3  77.150     1  0.59     2  0.16  molprobity  1.000  
 62   62  ?      -102.2  -152.4  Favored     3  71.610     4  1.45     5  1.10  molprobity  1.000  
 63   63  ?       -62.5   -42.3  Favored     2  69.990     5  0.78     7  0.86  molprobity  1.000  
 64   64  mt      -65.0   -49.8  Favored    11  65.430     8  0.77    11  0.59  molprobity  1.000  
 65   65  ?       -55.4   -45.8  Favored     5  63.730     5  0.72     7  0.85  molprobity  1.000  
 66   66  tp60    -62.3   -48.5  Favored     8  68.410     9  0.58    12  0.45  molprobity  1.000  
 67   67  ?       -58.2   -45.8  Favored     3  51.800     4  0.86     5  0.86  molprobity  1.000  
 68   68  mm      -62.2   -41.0  Favored    11  51.680     8  0.67    11  0.55  molprobity  1.000  
 69   69  ?       -63.1   -44.3  Favored     4  54.060     6  0.67     8  0.68  molprobity  1.000  
 70   70  mt-10   -66.1   -38.9  Favored     6  57.600     9  0.58    12  0.53  molprobity  1.000  
 71   71  mt      -63.9   -48.6  Favored    11  43.200     8  0.71    11  0.59  molprobity  1.000  
 72   72  ?       -53.9   -46.8  Favored     5  45.010     5  0.61     7  0.96  molprobity  1.000  
 73   73  ?       -59.7   -48.2  Favored     6  48.370     7  0.90     9  0.54  molprobity  1.000  
 74   74  ?       -64.0   -40.6  Favored     3  38.960     4  0.72     5  0.74  molprobity  1.000  
 75   75  mm      -64.9   -40.4  Favored    11  39.000     8  0.71    11  0.50  molprobity  1.000  
 76   76  ?       -59.2   -44.5  Favored     8  48.200     8  0.72    10  0.79  molprobity  1.000  
 77   77  mt-10   -64.8   -43.5  Favored     6  49.780     9  0.80    12  0.48  molprobity  1.000  
 78   78  mt      -60.7   -44.9  Favored    11  34.920     8  0.79    11  0.41  molprobity  1.000  
 79   79  ?       -57.8   -46.0  Favored     5  37.010     5  0.65     7  0.76  molprobity  1.000  
 80   80  t90     -60.4   -49.6  Favored    10  45.150    16  0.55    23  0.39  molprobity  1.000  
 81   81  ?       -60.5   -40.3  Favored     3  35.810     4  1.06     5  0.55  molprobity  1.000  
 82   82  mm      -63.4   -42.9  Favored    11  38.770     8  0.81    11  0.54  molprobity  1.000  
 83   83  ?       -62.1   -41.6  Favored     4  44.240     6  0.64     8  1.02  molprobity  1.000  
 84   84  mm-40   -62.3   -44.8  Favored     6  47.140     9  0.63    12  0.55  molprobity  1.000  
 85   85  mt      -61.0   -49.9  Favored    11  44.330     8  0.72    11  0.62  molprobity  1.000  
 86   86  ?       -57.9   -44.8  Favored     5  53.210     5  0.83     7  0.64  molprobity  1.000  
 87   87  ?       -69.8   -42.8  Favored     2  64.450     5  0.80     7  0.86  molprobity  1.000  
 88   88  ?       -62.5   -29.3  Favored     3  77.120     4  0.95     5  1.06  molprobity  1.000  
 89   89  mt          ?       ?  ?          11  77.470     7  0.74     8  0.44  molprobity  1.000  
 90   90  ?           ?       ?  ?           8  48.470     ?     ?     ?     ?  ?           0.500  
 91   91  ?           ?       ?  ?           8  47.170     ?     ?     ?     ?  ?           0.500  
 92   92  ?           ?       ?  ?           8  60.000     ?     ?     ?     ?  ?           0.500  
 93   93  ?           ?       ?  ?           ?  52.820     ?     ?     ?     ?  ?           1.000  
 94   94  ?           ?       ?  ?           ?  69.820     ?     ?     ?     ?  ?           1.000  
 95   95  ?           ?       ?  ?           ?  58.250     ?     ?     ?     ?  ?           1.000  
 96   96  ?           ?       ?  ?           ?  61.360     ?     ?     ?     ?  ?           1.000  
 97   97  ?           ?       ?  ?           ?  67.180     ?     ?     ?     ?  ?           1.000  
 98   98  ?           ?       ?  ?           ?  63.020     ?     ?     ?     ?  ?           0.500  
 99   99  ?           ?       ?  ?           ?  82.420     ?     ?     ?     ?  ?           0.500  
100  100  ?           ?       ?  ?           ?  86.050     ?     ?     ?     ?  ?           0.500  
101  101  ?           ?       ?  ?           ?  57.220     ?     ?     ?     ?  ?           0.500  
102  102  ?           ?       ?  ?           ?  49.660     ?     ?     ?     ?  ?           1.000  
103  103  ?           ?       ?  ?           ?  70.710     ?     ?     ?     ?  ?           1.000  
104  104  ?           ?       ?  ?           ?  65.570     ?     ?     ?     ?  ?           1.000  
105  105  ?           ?       ?  ?           ?  73.110     ?     ?     ?     ?  ?           1.000  
106  106  ?           ?       ?  ?           ?  80.400     ?     ?     ?     ?  ?           1.000  
107  107  ?           ?       ?  ?           ?  82.690     ?     ?     ?     ?  ?           1.000  
108  108  ?           ?       ?  ?           ?  66.760     ?     ?     ?     ?  ?           0.500  
109  109  ?           ?       ?  ?           ?  56.830     ?     ?     ?     ?  ?           1.000  
110  110  ?           ?       ?  ?           ?  68.600     ?     ?     ?     ?  ?           0.500  
111  111  ?           ?       ?  ?           ?  82.040     ?     ?     ?     ?  ?           0.500  
112  112  ?           ?       ?  ?           ?  77.680     ?     ?     ?     ?  ?           1.000  
113  113  ?           ?       ?  ?           ?  60.180     ?     ?     ?     ?  ?           0.500  
#
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   90  C3   1  0.81  2.28  
 2   90  H31  2  0.77  1.84  
 3   92  C3   3  1.32  1.72  
 4   92  C1   4  1.29  1.69  
 5   92  H12  5  1.23  1.24  
 6   92  H31  6  1.01  1.37  
 7   92  O    7  0.81  1.80  
 8   92  H33  8  0.69  1.62  
 9   98  O    1  0.81  2.28  
10   98  O    2  0.77  1.84  
11  108  O    4  1.29  1.69  
12  108  O    5  1.23  1.24  
13  108  O    7  0.81  1.80  
14  110  O    3  1.32  1.72  
15  110  O    6  1.01  1.37  
16  110  O    8  0.69  1.62  
#
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   3  0.897  0.284       ?  
  2    2   4  0.854  0.193   2.021  
  3    3   5  0.822  0.115  -0.181  
  4    4   8  0.934  0.152   1.465  
  5    5   5  0.959  0.131   0.937  
  6    6   6  0.878  0.123   0.156  
  7    7   4  0.968  0.104   0.283  
  8    8   8  0.924  0.157   1.599  
  9    9   5  0.924  0.131   0.013  
 10   10   9  0.826  0.161   0.496  
 11   11   8  0.934  0.079  -0.487  
 12   12   5  0.977  0.088  -0.032  
 13   13   6  0.943  0.112  -0.285  
 14   14   4  0.965  0.124   0.674  
 15   15   8  0.924  0.117   0.529  
 16   16   6  0.961  0.137   0.106  
 17   17   9  0.880  0.171   0.644  
 18   18   8  0.917  0.153   1.492  
 19   19   5  0.920  0.124   0.779  
 20   20  14  0.920  0.145   1.763  
 21   21   4  0.965  0.129   0.771  
 22   22   8  0.946  0.139   1.118  
 23   23   9  0.909  0.176   0.717  
 24   24   9  0.904  0.114  -0.196  
 25   25   8  0.939  0.107   0.262  
 26   26   5  0.946  0.121   0.712  
 27   27   9  0.856  0.132   0.307  
 28   28   4  0.912  0.186   1.885  
 29   29   8  0.897  0.118   0.556  
 30   30   9  0.855  0.180   0.779  
 31   31   4  0.459  0.285   3.818  
 32   32   5  0.779  0.259   1.940  
 33   33   8  0.758  0.283   4.968  
 34   34   4  0.926  0.244   3.482  
 35   35   5  0.871  0.225   1.864  
 36   36   4  0.938  0.182   1.807  
 37   37   8  0.954  0.093  -0.112  
 38   38   6  0.957  0.216   1.343  
 39   39   6  0.922  0.144   0.246  
 40   40   8  0.954  0.103   0.155  
 41   41   5  0.947  0.109   0.441  
 42   42   7  0.950  0.089  -0.645  
 43   43   4  0.975  0.114   0.479  
 44   44   8  0.961  0.107   0.262  
 45   45   9  0.951  0.121  -0.144  
 46   46   9  0.886  0.161   0.496  
 47   47   8  0.962  0.127   0.797  
 48   48   5  0.942  0.126   0.824  
 49   49  14  0.947  0.117   0.925  
 50   50   4  0.980  0.156   1.299  
 51   51   8  0.915  0.164   1.786  
 52   52   9  0.941  0.202   1.124  
 53   53   9  0.884  0.199   1.056  
 54   54   8  0.966  0.151   1.439  
 55   55   5  0.927  0.094   0.104  
 56   56   9  0.789  0.238   2.082  
 57   57   4  0.824  0.176   1.689  
 58   58   8  0.862  0.121   0.636  
 59   59   9  0.814  0.281   2.360  
 60   60   4  0.808  0.214   2.432  
 61   61   3  0.648  0.256       ?  
 62   62   4  0.859  0.216   2.471  
 63   63   5  0.779  0.261   1.969  
 64   64   8  0.793  0.161   1.706  
 65   65   5  0.937  0.113   0.532  
 66   66   9  0.842  0.172   0.977  
 67   67   4  0.943  0.084  -0.107  
 68   68   8  0.953  0.125   0.743  
 69   69   6  0.956  0.132   0.028  
 70   70   9  0.785  0.249   1.792  
 71   71   8  0.950  0.109   0.316  
 72   72   5  0.964  0.116   0.599  
 73   73   7  0.925  0.123  -0.113  
 74   74   4  0.949  0.110   0.400  
 75   75   8  0.943  0.114   0.449  
 76   76   8  0.953  0.142   0.185  
 77   77   9  0.863  0.155   0.408  
 78   78   8  0.955  0.139   1.118  
 79   79   5  0.973  0.105   0.351  
 80   80  14  0.903  0.132   1.374  
 81   81   4  0.975  0.111   0.420  
 82   82   8  0.948  0.130   0.877  
 83   83   6  0.914  0.151   0.326  
 84   84   9  0.862  0.136   0.128  
 85   85   8  0.941  0.122   0.663  
 86   86   5  0.767  0.177   1.973  
 87   87   5  0.801  0.152   0.642  
 88   88   4  0.838  0.175   1.670  
 89   89   8  0.434  0.210   3.016  
 90   90   4  0.824  0.438       ?  
 91   91   4  0.917  0.502       ?  
 92   92   4  0.883  0.171       ?  
 93   93   1  0.832  0.114       ?  
 94   94   1  0.548  0.129       ?  
 95   95   1  0.919  0.262       ?  
 96   96   1  0.698  0.280       ?  
 97   97   1  0.784  0.205       ?  
 98   98   1  0.981  0.632       ?  
 99   99   1  0.792  0.454       ?  
100  100   1  0.762  0.244       ?  
101  101   1  0.609  0.408       ?  
102  102   1  0.815  0.276       ?  
103  103   1  0.845  0.069       ?  
104  104   1  0.648  0.363       ?  
105  105   1  0.909  0.414       ?  
106  106   1  0.562  0.330       ?  
107  107   1  0.188  0.186       ?  
108  108   1  0.988  0.220       ?  
109  109   1  0.734  0.116       ?  
110  110   1  0.338  0.484       ?  
111  111   1  0.981  0.542       ?  
112  112   1  0.878  0.060       ?  
113  113   1  0.829  0.230       ?  
#
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        "1.8.4 (270009), CSD as541be (2020)"                                  Y  
3  eds          2.23.2                                                                Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
