data_7UI8

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  7UI8
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    7UI8
_pdbx_vrpt_summary.PDB_deposition_date         2022-03-28
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-10-25
_pdbx_vrpt_summary.report_creation_date        2023-10-16:05:09
_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  "Split ester bond-containing adhesin repeat domain"  
2  polymer  GLY-ASP-THR-LYS-HIS-GLU-VAL-ARG-HIS-GLU-ASN-PRO-GLN-ASP-GLU-ALA-GLN-THR-ILE-VAL-VAL-ASN-LYS  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.373  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   87.70  141614     ?     ?  
 2  2  1   91.71    6082  2.36  2.40  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    5973  2.36  2.40  
 5  1  3   78.50  138945     ?     ?  
 6  2  3   88.82    5975  2.36  2.40  
 7  1  4   51.21  127900     ?     ?  
 8  2  4   53.46    5397  2.36  2.40  
 9  1  5   19.18  130704     ?     ?  
10  2  5   26.35    5509  2.36  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   73.39  
 4  6  3  A  1  1  A   85.72  
 5  7  4  A  1  1  A   68.12  
 6  8  4  A  1  1  A   69.50  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B  100.00  
10  6  3  B  1  2  B  100.00  
11  7  4  B  1  2  B    9.83  
12  8  4  B  1  2  B   10.82  
#
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  0.77  0.64  845  1148  
2  1  2  B  B  0.80  0.66  182   246  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.88
_pdbx_vrpt_summary_geometry.clashscore                     1.99
_pdbx_vrpt_summary_geometry.num_H_reduce                   993
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1027
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.64
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1394
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.77
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 91.256
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            43.685
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         53.598
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.91(2.37A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8247
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.190
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.360
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.504
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.339
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.944
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.23
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.37
_pdbx_vrpt_summary_diffraction.EDS_res_low               39.53
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[53.020,53.020,54.750,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.032
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 7.38% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          1
_pdbx_vrpt_summary_diffraction.data_completeness         99.02
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      401
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.86
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     2.94
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.37
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        40.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.23
_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    6  THR  A    6  .  ?        ?  
  2  1  1  A    7  ASN  A    7  .  ?        ?  
  3  1  1  A    8  PRO  A    8  .  ?        ?  
  4  1  1  A    9  LYS  A    9  .  ?        ?  
  5  1  1  A   10  GLU  A   10  .  ?        ?  
  6  1  1  A   11  GLY  A   11  .  ?        ?  
  7  1  1  A   12  GLN  A   12  .  ?        ?  
  8  1  1  A   13  LEU  A   13  .  ?        ?  
  9  1  1  A   14  ALA  A   14  .  ?        ?  
 10  1  1  A   15  THR  A   15  .  ?        ?  
 11  1  1  A   16  THR  A   16  .  ?        ?  
 12  1  1  A   17  VAL  A   17  .  ?        ?  
 13  1  1  A   18  SER  A   18  .  ?        ?  
 14  1  1  A   19  VAL  A   19  .  ?        ?  
 15  1  1  A   20  LYS  A   20  .  ?        ?  
 16  1  1  A   21  ASN  A   21  .  ?        ?  
 17  1  1  A   22  ASN  A   22  .  ?        ?  
 18  1  1  A   23  GLU  A   23  .  ?        ?  
 19  1  1  A   24  SER  A   24  .  ?        ?  
 20  1  1  A   25  THR  A   25  .  ?        ?  
 21  1  1  A   26  THR  A   26  .  ?        ?  
 22  1  1  A   27  PRO  A   27  .  ?        ?  
 23  1  1  A   28  VAL  A   28  .  ?        ?  
 24  1  1  A   29  ARG  A   29  .  ?        ?  
 25  1  1  A   30  LEU  A   30  .  ?        ?  
 26  1  1  A   31  LEU  A   31  .  ?        ?  
 27  1  1  A   32  SER  A   32  .  ?        1  
 28  1  1  A   33  LYS  A   33  .  ?        ?  
 29  1  1  A   34  ASP  A   34  .  ?        ?  
 30  1  1  A   35  THR  A   35  .  ?        ?  
 31  1  1  A   36  GLN  A   36  .  ?        ?  
 32  1  1  A   37  GLY  A   37  .  ?        ?  
 33  1  1  A   38  VAL  A   38  .  ?        ?  
 34  1  1  A   39  GLU  A   39  .  ?        ?  
 35  1  1  A   40  VAL  A   40  .  ?        ?  
 36  1  1  A   41  THR  A   41  .  ?        ?  
 37  1  1  A   42  ASP  A   42  .  ?        ?  
 38  1  1  A   43  THR  A   43  .  ?        ?  
 39  1  1  A   44  VAL  A   44  .  ?        ?  
 40  1  1  A   45  SER  A   45  .  ?        ?  
 41  1  1  A   46  TYR  A   46  .  ?        ?  
 42  1  1  A   47  SER  A   47  .  ?        ?  
 43  1  1  A   48  ASP  A   48  .  ?        ?  
 44  1  1  A   49  LEU  A   49  .  ?        ?  
 45  1  1  A   50  VAL  A   50  .  ?        ?  
 46  1  1  A   51  GLY  A   51  .  ?        ?  
 47  1  1  A   52  GLY  A   52  .  ?        ?  
 48  1  1  A   53  LYS  A   53  .  ?        ?  
 49  1  1  A   54  VAL  A   54  .  ?        ?  
 50  1  1  A   55  TYR  A   55  .  ?        ?  
 51  1  1  A   56  GLU  A   56  .  ?        ?  
 52  1  1  A   57  LEU  A   57  .  ?        ?  
 53  1  1  A   58  THR  A   58  .  ?        ?  
 54  1  1  A   59  GLY  A   59  .  ?        ?  
 55  1  1  A   60  THR  A   60  .  ?        ?  
 56  1  1  A   61  LEU  A   61  .  ?        ?  
 57  1  1  A   62  MET  A   62  .  ?        ?  
 58  1  1  A   63  GLN  A   63  .  ?        ?  
 59  1  1  A   64  ILE  A   64  .  ?        ?  
 60  1  1  A   65  LYS  A   65  .  ?        ?  
 61  1  1  A   66  ALA  A   66  .  ?        ?  
 62  1  1  A   67  ASP  A   67  .  ?        ?  
 63  1  1  A   68  GLY  A   68  .  ?        ?  
 64  1  1  A   69  SER  A   69  .  ?        ?  
 65  1  1  A   70  THR  A   70  .  ?        ?  
 66  1  1  A   71  GLU  A   71  .  ?        ?  
 67  1  1  A   72  ALA  A   72  .  ?        ?  
 68  1  1  A   73  ILE  A   73  .  ?        ?  
 69  1  1  A   74  ALA  A   74  .  ?        2  
 70  1  1  A   75  SER  A   75  .  ?        ?  
 71  1  1  A   76  ALA  A   76  .  ?        ?  
 72  1  1  A   77  SER  A   77  .  ?        ?  
 73  1  1  A   78  LYS  A   78  .  ?        ?  
 74  1  1  A   79  GLU  A   79  .  ?        ?  
 75  1  1  A   80  VAL  A   80  .  ?        ?  
 76  1  1  A   81  THR  A   81  .  ?        ?  
 77  1  1  A   82  ALA  A   82  .  ?        ?  
 78  1  1  A   83  GLU  A   83  .  ?        ?  
 79  1  1  A   84  THR  A   84  .  ?        ?  
 80  1  1  A   85  SER  A   85  .  ?        ?  
 81  1  1  A   86  GLY  A   86  .  ?        ?  
 82  1  1  A   87  LYS  A   87  .  ?        ?  
 83  1  1  A   88  GLY  A   88  .  ?        ?  
 84  1  1  A   89  THR  A   89  .  ?        ?  
 85  1  1  A   90  TRP  A   90  .  ?        ?  
 86  1  1  A   91  GLU  A   91  .  ?        ?  
 87  1  1  A   92  LEU  A   92  .  ?        ?  
 88  1  1  A   93  THR  A   93  .  ?        ?  
 89  1  1  A   94  PHE  A   94  .  ?        ?  
 90  1  1  A   95  ALA  A   95  .  ?        ?  
 91  1  1  A   96  PRO  A   96  .  ?        ?  
 92  1  1  A   97  GLN  A   97  .  ?        2  
 93  1  1  A   98  ASN  A   98  .  ?        ?  
 94  1  1  A   99  LEU  A   99  .  ?        ?  
 95  1  1  A  100  LYS  A  100  .  ?        1  
 96  1  1  A  101  ALA  A  101  .  ?        ?  
 97  1  1  A  102  GLY  A  102  .  ?        ?  
 98  1  1  A  103  GLU  A  103  .  ?        1  
 99  1  1  A  104  LYS  A  104  .  ?        ?  
100  1  1  A  105  TYR  A  105  .  ?        ?  
101  1  1  A  106  VAL  A  106  .  ?        ?  
102  1  1  A  107  VAL  A  107  .  ?        ?  
103  1  1  A  108  TYR  A  108  .  ?        ?  
104  1  1  A  109  GLU  A  109  .  ?        ?  
105  1  1  A  110  VAL  A  110  .  ?        ?  
106  1  1  A  111  ALA  A  111  .  ?        ?  
107  1  1  A  112  LYS  A  112  .  ?        ?  
108  1  1  A  113  SER  A  113  .  ?        ?  
109  1  1  A  114  LYS  A  114  .  ?        ?  
110  1  1  A  115  GLU  A  115  .  ?        ?  
111  1  1  A  116  ASN  A  116  .  ?        ?  
112  1  1  A  117  LEU  A  117  .  ?        ?  
113  1  1  A  118  VAL  A  118  .  ?        ?  
114  1  2  B    1  GLY  B  129  .  ?        ?  
115  1  2  B    2  ASP  B  130  .  ?        ?  
116  1  2  B    3  THR  B  131  .  ?        ?  
117  1  2  B    4  LYS  B  132  .  ?        ?  
118  1  2  B    5  HIS  B  133  .  ?        ?  
119  1  2  B    6  GLU  B  134  .  ?        ?  
120  1  2  B    7  VAL  B  135  .  ?        ?  
121  1  2  B    8  ARG  B  136  .  ?        ?  
122  1  2  B    9  HIS  B  137  .  ?        ?  
123  1  2  B   10  GLU  B  138  .  ?        ?  
124  1  2  B   11  ASN  B  139  .  ?        ?  
125  1  2  B   12  PRO  B  140  .  ?        ?  
126  1  2  B   13  GLN  B  141  .  ?        ?  
127  1  2  B   14  ASP  B  142  .  ?        ?  
128  1  2  B   15  GLU  B  143  .  ?        ?  
129  1  2  B   16  ALA  B  144  .  ?        ?  
130  1  2  B   17  GLN  B  145  .  ?        ?  
131  1  2  B   18  THR  B  146  .  ?        ?  
132  1  2  B   19  ILE  B  147  .  ?        ?  
133  1  2  B   20  VAL  B  148  .  ?        ?  
134  1  2  B   21  VAL  B  149  .  ?        ?  
135  1  2  B   22  ASN  B  150  .  ?        ?  
136  1  2  B   23  LYS  B  151  .  ?        1  
137  1  3  C    .  HOH  A  201  .  ?        ?  
138  1  3  C    .  HOH  A  202  .  ?        ?  
139  1  3  C    .  HOH  A  203  .  ?        ?  
140  1  3  C    .  HOH  A  204  .  ?        ?  
141  1  3  C    .  HOH  A  205  .  ?        ?  
142  1  3  C    .  HOH  A  206  .  ?        ?  
143  1  3  C    .  HOH  A  207  .  ?        ?  
144  1  3  D    .  HOH  B  201  .  ?        ?  
145  1  3  D    .  HOH  B  202  .  ?        ?  
146  1  3  D    .  HOH  B  203  .  ?        ?  
#
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  m             ?       ?  ?           ?  ?        6   71.950     7  0.84    10  0.97  molprobity  1.000  
  2    2  t-20      -57.9   125.5  Favored     ?  ?        6   63.570     8  0.59    12  0.80  molprobity  1.000  
  3    3  Cg_exo    -54.5   -30.8  Favored     ?  ?        7   61.820     8  0.44    11  0.95  molprobity  1.000  
  4    4  mmtm      -78.6   -18.9  Favored     ?  ?       13   63.640     9  0.58    11  0.82  molprobity  1.000  
  5    5  mt-10     -61.2   141.0  Favored     ?  ?        6   76.360     9  0.58    12  0.59  molprobity  1.000  
  6    6  ?         122.1   140.3  Favored     ?  ?        3   55.830     4  0.64     5  0.76  molprobity  1.000  
  7    7  OUTLIER  -136.6   135.9  Favored     ?  ?        8   65.980     9  0.39    12  0.72  molprobity  1.000  
  8    8  mt       -116.5   119.1  Favored     ?  ?       11   58.050     8  0.53    11  0.68  molprobity  1.000  
  9    9  ?        -102.7   135.9  Favored     ?  ?        5   57.090     5  0.73     7  0.92  molprobity  1.000  
 10   10  p        -126.1   136.0  Favored     ?  ?        6   56.930     7  0.55    10  0.69  molprobity  1.000  
 11   11  m        -122.5   115.2  Favored     ?  ?        7   56.930     7  0.55    10  0.75  molprobity  1.000  
 12   12  p         -81.3   144.2  Favored     ?  ?        9   57.390     7  0.71    10  0.75  molprobity  1.000  
 13   13  p        -139.1   157.3  Favored     ?  ?        5   56.060     6  0.77     8  0.83  molprobity  1.000  
 14   14  t        -121.9   134.9  Favored     ?  ?        9   54.600     7  0.71    10  0.68  molprobity  1.000  
 15   15  tttt      -52.8   131.7  Favored     ?  ?       13   69.190     9  0.65    11  0.72  molprobity  1.000  
 16   16  m-80       65.0    24.2  Favored     ?  ?        6   72.750     8  0.58    11  1.02  molprobity  1.000  
 17   17  t-20     -122.1   133.1  Favored     ?  ?        6   62.660     8  0.47    11  0.89  molprobity  1.000  
 18   18  mp0       -99.6   -17.1  Favored     ?  ?        6   76.810     9  0.68    12  0.78  molprobity  1.000  
 19   19  p         -68.1   155.0  Favored     ?  ?        5   57.510     6  0.78     8  0.46  molprobity  1.000  
 20   20  t        -157.1   147.4  Favored     ?  ?        7   56.830     7  0.51    10  0.63  molprobity  1.000  
 21   21  m          55.1    62.3  Favored     ?  Y        7   62.240     7  0.58    11  0.74  molprobity  1.000  
 22   22  Cg_endo   -96.3   163.4  Favored     ?  ?        7   62.410     8  0.38    11  0.67  molprobity  1.000  
 23   23  t         -63.3   133.0  Favored     ?  ?        9   59.730     7  0.67    10  0.67  molprobity  1.000  
 24   24  mtt-85   -116.3   128.0  Favored     ?  ?       13   74.510    11  0.45    14  0.97  molprobity  1.000  
 25   25  mp       -112.9   134.6  Favored     ?  ?       11   63.570     8  0.61    11  0.55  molprobity  1.000  
 26   26  mt        -65.2   150.3  Favored     ?  ?       11   56.510     8  0.61    11  0.85  molprobity  1.000  
 27   27  p         -55.6   -29.9  Favored     ?  ?        5   61.060     6  1.06     8  0.80  molprobity  1.000  
 28   28  ptmm?     -71.9   -19.0  Favored     ?  ?       13   62.080     9  0.75    11  0.72  molprobity  1.000  
 29   29  m-20     -108.1    39.2  Favored     ?  ?        4   58.640     8  0.64    11  0.64  molprobity  1.000  
 30   30  p        -107.4   -11.1  Favored     ?  ?        7   55.180     7  0.70    10  0.76  molprobity  1.000  
 31   31  mm100     -92.6   127.7  Favored     ?  ?        8   53.190     9  0.63    12  0.60  molprobity  1.000  
 32   32  ?          51.7    54.4  Favored     ?  ?        3   59.700     4  0.75     5  0.86  molprobity  1.000  
 33   33  t         -78.2   134.7  Favored     ?  ?        9   64.230     7  0.78    10  0.64  molprobity  1.000  
 34   34  mt-10    -101.6   100.1  Favored     ?  ?        6   75.210     9  0.71    12  0.99  molprobity  1.000  
 35   35  t         -90.4   121.5  Favored     ?  ?        9   54.400     7  0.62    10  0.71  molprobity  1.000  
 36   36  m        -100.4   149.6  Favored     ?  ?        7   56.480     7  0.61    10  0.80  molprobity  1.000  
 37   37  t70      -129.1   118.7  Favored     ?  ?        4   57.800     8  0.65    11  0.77  molprobity  1.000  
 38   38  m         -89.2   115.2  Favored     ?  ?        7   55.450     7  0.58    10  0.89  molprobity  1.000  
 39   39  t        -100.9   103.5  Favored     ?  ?        9   60.500     7  0.66    10  0.82  molprobity  1.000  
 40   40  m         -80.8   120.4  Favored     ?  ?        5   60.720     6  0.90     8  0.64  molprobity  1.000  
 41   41  p90      -120.8   148.1  Favored     ?  ?        9   66.600    13  0.49    18  0.63  molprobity  1.000  
 42   42  p        -144.7   148.4  Favored     ?  ?        5   61.360     6  1.01     8  0.86  molprobity  1.000  
 43   43  m-20       65.0    31.6  Favored     ?  ?        4   63.600     8  0.61    11  0.57  molprobity  1.000  
 44   44  mt        -83.0   157.8  Favored     ?  ?       11   63.240     8  0.54    11  0.70  molprobity  1.000  
 45   45  t         -67.5   107.7  Allowed     ?  ?        9   61.860     7  0.71    10  0.74  molprobity  1.000  
 46   46  ?         -51.8   136.2  Favored     ?  ?        3   63.690     4  0.84     5  0.79  molprobity  1.000  
 47   47  ?          78.3     0.2  Favored     ?  ?        3   62.850     4  0.62     5  0.99  molprobity  1.000  
 48   48  mmtt      -92.8   150.3  Favored     ?  ?       13   68.570     9  0.68    11  0.84  molprobity  1.000  
 49   49  t         -88.5   135.2  Favored     ?  ?        9   62.500     7  0.70    10  0.83  molprobity  1.000  
 50   50  m-85     -121.6   145.9  Favored     ?  ?        9   64.160    13  0.47    18  0.46  molprobity  1.000  
 51   51  ?         -88.9    99.2  Favored     ?  ?        2   60.130     5  0.71     7  1.02  molprobity  1.000  
 52   52  tp        -84.2   114.7  Favored     ?  ?       11   60.250     8  0.57    11  0.67  molprobity  1.000  
 53   53  m        -114.8   117.6  Favored     ?  ?        7   51.350     7  0.62    10  0.75  molprobity  1.000  
 54   54  ?         -99.7   145.4  Favored     ?  ?        3   54.940     4  0.73     5  0.91  molprobity  1.000  
 55   55  m        -132.5   118.6  Favored     ?  ?        7   53.660     7  0.59    10  0.72  molprobity  1.000  
 56   56  tp        -80.9   112.6  Favored     ?  ?       11   59.390     8  0.49    11  0.85  molprobity  1.000  
 57   57  mmt      -105.1   134.7  Favored     ?  ?        9   65.480     8  0.60    10  0.70  molprobity  1.000  
 58   58  tt0       -85.3   121.6  Favored     ?  ?        8   74.110     9  0.52    12  0.75  molprobity  1.000  
 59   59  tt       -102.8   107.8  Favored     ?  ?       11   76.940     8  0.70    11  0.86  molprobity  1.000  
 60   60  mttp      -74.9   159.5  Favored     ?  ?       13   89.300     9  0.64    11  0.87  molprobity  1.000  
 61   61  ?         -56.8   -29.8  Favored     ?  ?        5   80.660     5  0.81     7  0.79  molprobity  1.000  
 62   62  p-10      -82.4     1.1  Favored     ?  ?        4   83.570     8  0.76    11  0.66  molprobity  1.000  
 63   63  ?          90.3    -7.0  Favored     ?  ?        3   76.510     4  0.85     5  1.00  molprobity  1.000  
 64   64  p         -72.1   158.2  Favored     ?  ?        5   75.530     6  0.85     8  0.75  molprobity  1.000  
 65   65  p        -125.3   155.2  Favored     ?  ?        7   68.230     7  0.54    10  0.58  molprobity  1.000  
 66   66  tt0      -131.9   125.5  Favored     ?  ?        6   81.030     9  0.52    12  0.73  molprobity  1.000  
 67   67  ?         -71.9   127.5  Favored     ?  ?        5   62.540     5  0.64     7  0.77  molprobity  1.000  
 68   68  pt       -112.6   -25.6  Favored     ?  ?       11   61.300     8  0.71    11  0.66  molprobity  1.000  
 69   69  ?        -150.8   157.0  Favored     ?  ?        5   56.140     5  0.61     7  0.83  molprobity  1.000  
 70   70  t        -150.4   148.6  Favored     ?  ?        5   59.850     6  0.97     8  0.80  molprobity  1.000  
 71   71  ?        -140.2   134.7  Favored     ?  ?        5   56.710     5  0.62     7  1.03  molprobity  1.000  
 72   72  m        -126.0   145.6  Favored     ?  ?        5   57.990     6  1.01     8  0.80  molprobity  1.000  
 73   73  ttmt     -149.2   131.4  Favored     ?  ?       13   67.330     9  0.44    11  0.81  molprobity  1.000  
 74   74  mt-10     -71.7   119.3  Favored     ?  ?        6   75.400     9  0.51    12  0.79  molprobity  1.000  
 75   75  m        -124.0   165.7  Favored     ?  ?        9   61.210     7  0.68    10  0.78  molprobity  1.000  
 76   76  m        -124.0   128.1  Favored     ?  ?        7   61.390     7  0.54    10  0.73  molprobity  1.000  
 77   77  ?         -67.0   132.7  Favored     ?  ?        5   63.100     5  0.66     7  0.82  molprobity  1.000  
 78   78  mm-40     -47.4   151.8  Allowed     ?  ?        6   75.930     9  0.62    12  0.68  molprobity  1.000  
 79   79  p         -61.3   -24.6  Favored     ?  ?        7   70.400     7  0.59    10  0.79  molprobity  1.000  
 80   80  p         -80.6    -7.4  Favored     ?  ?        5   64.070     6  0.94     8  0.78  molprobity  1.000  
 81   81  ?          76.6    -7.7  Favored     ?  ?        3   64.710     4  1.00     5  1.25  molprobity  1.000  
 82   82  mttm     -108.4   146.0  Favored     ?  ?       13   77.870     9  0.54    11  1.12  molprobity  1.000  
 83   83  ?         172.2  -160.9  Favored     ?  ?        3   65.330     4  0.65     5  0.80  molprobity  1.000  
 84   84  m        -137.7   138.5  Favored     ?  ?        7   64.320     7  0.51    10  0.88  molprobity  1.000  
 85   85  m0       -117.3   150.1  Favored     ?  ?       10   62.580    16  0.40    23  0.59  molprobity  1.000  
 86   86  mm-40    -110.5   142.8  Favored     ?  ?        6   77.700     9  0.57    12  0.61  molprobity  1.000  
 87   87  tp       -134.4   134.4  Favored     ?  ?       11   60.820     8  0.51    11  0.80  molprobity  1.000  
 88   88  p        -122.1   137.8  Favored     ?  ?        7   60.630     7  0.58    10  0.85  molprobity  1.000  
 89   89  m-85      -88.8   149.7  Favored     ?  ?        9   57.060    12  0.42    16  0.67  molprobity  1.000  
 90   90  ?         -47.2   153.1  Allowed     ?  ?        5   62.190     5  0.62     8  0.73  molprobity  1.000  
 91   91  Cg_exo    -52.5   136.8  Favored     ?  ?        7   72.150     8  0.31    11  0.60  molprobity  1.000  
 92   92  mm-40    -129.5   132.0  Favored     1  ?        8   71.430     9  0.52    12  0.70  molprobity  1.000  
 93   93  m-20      -81.7   113.9  Favored     ?  ?        6   61.100     8  0.57    11  0.68  molprobity  1.000  
 94   94  mt        -98.2   161.0  Favored     ?  ?       11   59.390     8  0.53    11  0.54  molprobity  1.000  
 95   95  mttp     -104.3   137.9  Favored     ?  ?       13   72.230     9  0.54    11  0.83  molprobity  1.000  
 96   96  ?         -57.0   139.7  Favored     ?  ?        5   60.920     5  0.72     7  0.67  molprobity  1.000  
 97   97  ?          68.9    12.8  Favored     ?  ?        3   59.050     4  0.65     5  1.01  molprobity  1.000  
 98   98  mm-40    -103.5   156.4  Favored     ?  ?        6   68.210     9  0.60    12  0.68  molprobity  1.000  
 99   99  ttpt     -118.5   134.0  Favored     ?  ?       13   69.970     9  0.57    11  0.87  molprobity  1.000  
100  100  m-85     -125.5   148.2  Favored     ?  ?        9   56.460    13  0.56    18  0.51  molprobity  1.000  
101  101  p        -138.6   149.3  Favored     ?  ?        9   56.920     7  0.72    10  0.64  molprobity  1.000  
102  102  t        -107.7   127.6  Favored     ?  ?        9   53.490     7  0.68    10  0.68  molprobity  1.000  
103  103  m-30      -96.7   157.7  Favored     ?  ?        9   56.590    13  0.43    18  0.75  molprobity  1.000  
104  104  mm-40    -145.6   132.8  Favored     ?  ?        6   57.800     9  0.59    12  0.76  molprobity  1.000  
105  105  t        -130.9   134.4  Favored     ?  ?        9   53.600     7  0.65    10  0.90  molprobity  1.000  
106  106  ?        -119.2   113.4  Favored     ?  ?        5   57.400     5  0.64     7  0.91  molprobity  1.000  
107  107  mttt     -113.5   128.8  Favored     ?  ?       13   72.480     9  0.57    11  0.70  molprobity  1.000  
108  108  p         -64.7   138.7  Favored     ?  ?        5   62.370     6  0.94     8  0.78  molprobity  1.000  
109  109  ?         -57.5   -44.6  Favored     ?  ?        2   65.410     5  0.77     7  0.90  molprobity  1.000  
110  110  mt-10     -88.8   160.1  Favored     ?  ?        6   74.910     9  0.77    12  0.71  molprobity  1.000  
111  111  m120      -87.8    99.4  Favored     ?  ?        6   79.940     8  0.64    11  0.68  molprobity  1.000  
112  112  mt       -106.9    23.7  Favored     ?  ?       11   72.250     8  0.71    11  0.64  molprobity  1.000  
113  113  t             ?       ?  ?           ?  ?        9   78.300     6  0.76     7  1.19  molprobity  1.000  
114  114  ?             ?       ?  ?           ?  ?        2  103.090     4  1.27     5  0.92  molprobity  1.000  
115  115  p30      -117.2    -3.5  Favored     ?  ?        4  100.450     8  0.72    11  0.71  molprobity  1.000  
116  116  t        -157.0   167.5  Favored     ?  ?        7   77.080     7  0.77    10  0.89  molprobity  1.000  
117  117  mttt      -86.9   151.7  Favored     ?  ?       13   82.720     9  0.65    11  0.77  molprobity  1.000  
118  118  t-160     -79.0   114.4  Favored     ?  ?        7   65.030    11  0.61    15  0.69  molprobity  1.000  
119  119  mt-10    -121.2   105.7  Favored     ?  ?        6   72.990     9  0.59    12  0.69  molprobity  1.000  
120  120  t        -107.3   118.3  Favored     ?  ?        9   62.970     7  0.67    10  0.64  molprobity  1.000  
121  121  ptp180   -119.2   141.6  Favored     ?  ?       13   71.880    11  0.45    14  1.15  molprobity  1.000  
122  122  t60      -121.1    98.3  Favored     ?  ?        7   57.390    11  0.51    15  0.74  molprobity  1.000  
123  123  mt-10    -128.5    71.1  Allowed     ?  ?        6   59.560     9  0.64    12  0.71  molprobity  1.000  
124  124  t-20     -112.9   104.0  Favored     ?  ?        6   56.510     8  0.56    12  0.60  molprobity  1.000  
125  125  Cg_endo   -66.2    -9.9  Favored     ?  ?        7   59.260     8  0.44    11  0.89  molprobity  1.000  
126  126  mp0      -108.8     4.5  Favored     ?  ?        8   64.110     9  0.61    12  0.42  molprobity  1.000  
127  127  t0        -69.5   110.8  Favored     ?  ?        4   57.230     8  0.61    11  0.92  molprobity  1.000  
128  128  mm-40     -61.5   -37.6  Favored     ?  ?        6   68.450     9  0.59    12  0.58  molprobity  1.000  
129  129  ?         -61.0   -30.6  Favored     ?  ?        5   58.540     5  0.74     7  0.88  molprobity  1.000  
130  130  mm-40     -96.4     2.9  Favored     ?  ?        6   58.150     8  0.70    10  0.84  molprobity  1.000  
131  131  m        -103.2   139.6  Favored     ?  ?        7   55.580     7  0.71    10  0.80  molprobity  1.000  
132  132  mt       -115.6   127.0  Favored     ?  ?       11   56.640     8  0.73    11  0.77  molprobity  1.000  
133  133  t        -111.2   126.0  Favored     ?  ?        9   58.040     7  0.69    10  0.78  molprobity  1.000  
134  134  t        -105.2   131.0  Favored     ?  ?        9   56.520     7  0.70    10  0.76  molprobity  1.000  
135  135  m-20      -80.3  -175.6  Favored     ?  ?        6   61.360     8  0.67    11  0.99  molprobity  1.000  
136  136  ?             ?       ?  ?           ?  ?        2   70.150     4  0.82     4  1.13  molprobity  1.000  
137  137  ?             ?       ?  ?           ?  ?        ?   53.110     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  ?        ?   53.780     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  ?        ?   50.070     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?  ?        ?   53.850     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  ?        ?   66.770     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  ?        ?   60.590     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?  ?        ?   49.100     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  ?        ?   54.440     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  ?        ?   44.770     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  ?        ?   56.500     ?     ?     ?     ?  ?           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   27  HB3   1  0.41  2.50  
2   69  HB2   2  0.57  1.69  
3   69  HB2   3  0.52  2.25  
4   92  HE21  2  0.57  1.69  
5   92  NE2   3  0.52  2.25  
6   95  HB2   4  0.53  1.89  
7   98  HG3   4  0.53  1.89  
8  136  CB    1  0.41  2.50  
#
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   7  0.857  0.174   0.703  
  2    2   8  0.980  0.090  -0.813  
  3    3   7  0.979  0.100  -0.521  
  4    4   9  0.967  0.242   0.868  
  5    5   9  0.918  0.206   0.475  
  6    6   4  0.980  0.101  -0.451  
  7    7   9  0.908  0.178   0.301  
  8    8   8  0.976  0.144  -0.035  
  9    9   5  0.953  0.098  -0.578  
 10   10   7  0.979  0.111  -0.404  
 11   11   7  0.983  0.102  -0.562  
 12   12   7  0.983  0.137  -0.053  
 13   13   6  0.957  0.107  -0.460  
 14   14   7  0.963  0.198   1.094  
 15   15   9  0.946  0.207   0.401  
 16   16   8  0.960  0.163   0.313  
 17   17   8  0.936  0.126  -0.258  
 18   18   9  0.862  0.187   0.224  
 19   19   6  0.956  0.088  -0.774  
 20   20   7  0.979  0.087  -0.826  
 21   21   7  0.979  0.116  -0.316  
 22   22   7  0.974  0.115  -0.266  
 23   23   7  0.973  0.128  -0.222  
 24   24  11  0.831  0.219   0.810  
 25   25   8  0.972  0.138  -0.145  
 26   26   8  0.986  0.118  -0.514  
 27   27   6  0.968  0.103  -0.526  
 28   28   9  0.942  0.139  -0.507  
 29   29   8  0.948  0.141  -0.072  
 30   30   7  0.966  0.163   0.510  
 31   31   9  0.952  0.136  -0.306  
 32   32   4  0.986  0.116  -0.208  
 33   33   7  0.977  0.181   0.774  
 34   34   9  0.918  0.237   0.885  
 35   35   7  0.985  0.248   2.034  
 36   36   7  0.938  0.180   0.808  
 37   37   8  0.984  0.124  -0.325  
 38   38   7  0.962  0.142   0.141  
 39   39   7  0.964  0.160   0.380  
 40   40   6  0.959  0.121  -0.228  
 41   41  12  0.963  0.106  -0.527  
 42   42   6  0.979  0.119  -0.261  
 43   43   8  0.949  0.168   0.331  
 44   44   8  0.965  0.129  -0.311  
 45   45   7  0.984  0.155   0.286  
 46   46   4  0.973  0.083  -0.742  
 47   47   4  0.972  0.106  -0.370  
 48   48   9  0.969  0.163  -0.187  
 49   49   7  0.974  0.136  -0.071  
 50   50  12  0.955  0.114  -0.371  
 51   51   5  0.980  0.121  -0.649  
 52   52   8  0.985  0.136  -0.182  
 53   53   7  0.965  0.116  -0.316  
 54   54   4  0.980  0.114  -0.241  
 55   55   7  0.978  0.104  -0.527  
 56   56   8  0.989  0.141  -0.090  
 57   57   8  0.937  0.158   0.416  
 58   58   9  0.949  0.178   0.301  
 59   59   8  0.921  0.279   2.494  
 60   60   9  0.884  0.260   1.108  
 61   61   5  0.954  0.191   1.077  
 62   62   8  0.918  0.221   1.122  
 63   63   4  0.941  0.153   0.389  
 64   64   6  0.921  0.125  -0.162  
 65   65   7  0.979  0.101  -0.580  
 66   66   9  0.879  0.285   1.520  
 67   67   5  0.960  0.119  -0.205  
 68   68   8  0.960  0.149   0.069  
 69   69   5  0.980  0.158   0.489  
 70   70   6  0.960  0.164   0.483  
 71   71   5  0.976  0.155   0.436  
 72   72   6  0.959  0.143   0.136  
 73   73   9  0.941  0.194   0.227  
 74   74   9  0.893  0.205   0.462  
 75   75   7  0.983  0.148   0.154  
 76   76   7  0.979  0.101  -0.580  
 77   77   5  0.977  0.121  -0.169  
 78   78   9  0.914  0.222   0.687  
 79   79   7  0.949  0.161   0.475  
 80   80   6  0.980  0.095  -0.658  
 81   81   4  0.891  0.084  -0.725  
 82   82   9  0.901  0.214   0.494  
 83   83   4  0.958  0.096  -0.532  
 84   84   7  0.964  0.147   0.228  
 85   85  14  0.956  0.116  -0.267  
 86   86   9  0.930  0.189   0.250  
 87   87   8  0.980  0.224   1.438  
 88   88   7  0.945  0.209   1.318  
 89   89  11  0.956  0.178   0.787  
 90   90   5  0.979  0.204   1.308  
 91   91   7  0.949  0.181   0.859  
 92   92   9  0.960  0.151  -0.090  
 93   93   8  0.909  0.130  -0.196  
 94   94   8  0.983  0.148   0.039  
 95   95   9  0.965  0.169  -0.107  
 96   96   5  0.980  0.124  -0.116  
 97   97   4  0.959  0.097  -0.515  
 98   98   9  0.942  0.154  -0.213  
 99   99   9  0.922  0.177   0.000  
100  100  12  0.956  0.104  -0.566  
101  101   7  0.985  0.127  -0.241  
102  102   7  0.988  0.126  -0.259  
103  103  12  0.960  0.146   0.254  
104  104   9  0.973  0.118  -0.689  
105  105   7  0.981  0.136  -0.071  
106  106   5  0.982  0.122  -0.151  
107  107   9  0.933  0.148  -0.387  
108  108   6  0.983  0.090  -0.740  
109  109   5  0.979  0.092  -1.135  
110  110   9  0.952  0.143  -0.358  
111  111   8  0.939  0.106  -0.566  
112  112   8  0.950  0.151   0.094  
113  113   7  0.912  0.187   0.887  
114  114   4  0.839  0.336   3.346  
115  115   8  0.769  0.383   3.540  
116  116   7  0.929  0.180   0.808  
117  117   9  0.891  0.233   0.748  
118  118  10  0.988  0.133  -0.071  
119  119   9  0.879  0.190   0.263  
120  120   7  0.976  0.178   0.718  
121  121  11  0.931  0.164   0.020  
122  122  10  0.971  0.123  -0.235  
123  123   9  0.972  0.108  -0.821  
124  124   8  0.968  0.101  -0.644  
125  125   7  0.976  0.101  -0.504  
126  126   9  0.938  0.213   0.806  
127  127   8  0.972  0.098  -0.713  
128  128   9  0.933  0.206   0.475  
129  129   5  0.983  0.120  -0.187  
130  130   8  0.977  0.099  -0.841  
131  131   7  0.979  0.133  -0.018  
132  132   8  0.988  0.131  -0.267  
133  133   7  0.984  0.148   0.154  
134  134   7  0.963  0.111  -0.541  
135  135   8  0.952  0.114  -0.443  
136  136   5  0.813  0.131  -0.614  
137  137   1  0.799  0.216       ?  
138  138   1  0.899  0.135       ?  
139  139   1  0.903  0.100       ?  
140  140   1  0.937  0.280       ?  
141  141   1  0.949  0.420       ?  
142  142   1  0.909  0.204       ?  
143  143   1  0.879  0.279       ?  
144  144   1  0.978  0.383       ?  
145  145   1  0.941  0.491       ?  
146  146   1  0.975  0.269       ?  
#
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  
##
