data_1YQB

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1YQB
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1YQB
_pdbx_vrpt_summary.PDB_deposition_date         2005-02-01
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-08-23
_pdbx_vrpt_summary.report_creation_date        2023-08-16:09:44
_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  "Ubiquilin 3"  
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  2.0  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   50.53  141614     ?     ?  
 2  2  1   51.20    9178  2.00  2.00  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    9054  2.00  2.00  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    9053  2.00  2.00  
 7  1  4   16.90  127900     ?     ?  
 8  2  4   16.06    7900  2.00  2.00  
 9  1  5   46.99  130704     ?     ?  
10  2  5   45.69    8085  2.00  2.00  
#
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   16.90  
6  8  4  A  1  1  A   16.06  
#
_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      0.93
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.94
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   700
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  943
#
_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                     5.67
_pdbx_vrpt_summary_geometry.num_H_reduce                   723
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 700
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.94
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                943
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.93
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 71.693
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            48.384
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         32.358
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.33(2.00A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6124
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.221
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.371
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.488
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.322
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.962
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.19
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.00
_pdbx_vrpt_summary_diffraction.EDS_res_low               28.28
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[33.190,33.190,30.575,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.081
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 14.92% 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         99.74
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      276
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.51
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     6.82
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        30.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.24
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A  12  SER  A   11  .  ?        ?     ?  
  2  1  1  A  13  GLY  A   12  .  ?        ?     ?  
  3  1  1  A  14  LEU  A   13  .  ?        ?     ?  
  4  1  1  A  15  VAL  A   14  .  ?        ?     ?  
  5  1  1  A  16  PRO  A   15  .  ?        ?     ?  
  6  1  1  A  17  ARG  A   16  .  ?        ?     ?  
  7  1  1  A  18  GLY  A   17  .  ?        ?     ?  
  8  1  1  A  19  SER  A   18  .  ?        ?     ?  
  9  1  1  A  20  PRO  A   19  .  ?        ?     ?  
 10  1  1  A  21  HIS  A   20  .  ?        ?     1  
 11  1  1  A  22  LEU  A   21  .  ?        ?     ?  
 12  1  1  A  23  ILE  A   22  .  ?        ?     ?  
 13  1  1  A  24  LYS  A   23  .  ?        ?     ?  
 14  1  1  A  25  VAL  A   24  .  ?        ?     ?  
 15  1  1  A  26  THR  A   25  .  ?        ?     ?  
 16  1  1  A  27  VAL  A   26  .  ?        ?     ?  
 17  1  1  A  28  LYS  A   27  .  ?        ?     ?  
 18  1  1  A  29  THR  A   28  .  ?        ?     ?  
 19  1  1  A  30  PRO  A   29  .  ?        ?     ?  
 20  1  1  A  31  LYS  A   30  .  ?        ?     ?  
 21  1  1  A  32  ASP  A   31  .  ?        ?     ?  
 22  1  1  A  33  LYS  A   32  .  ?        ?     ?  
 23  1  1  A  34  GLU  A   33  .  ?        ?     ?  
 24  1  1  A  35  ASP  A   34  .  ?        ?     ?  
 25  1  1  A  36  PHE  A   35  .  ?        ?     ?  
 26  1  1  A  37  SER  A   36  .  ?        ?     ?  
 27  1  1  A  38  VAL  A   37  .  ?        ?     ?  
 28  1  1  A  39  THR  A   38  .  ?        ?     1  
 29  1  1  A  40  ASP  A   39  .  ?        ?     ?  
 30  1  1  A  41  THR  A   40  .  ?        ?     ?  
 31  1  1  A  42  CYS  A   41  .  ?        ?     ?  
 32  1  1  A  43  THR  A   42  .  ?        ?     1  
 33  1  1  A  44  ILE  A   43  .  ?        ?     ?  
 34  1  1  A  45  GLN  A   44  .  ?        ?     ?  
 35  1  1  A  46  GLN  A   45  .  ?        ?     ?  
 36  1  1  A  47  LEU  A   46  .  ?        ?     ?  
 37  1  1  A  48  LYS  A   47  .  ?        ?     ?  
 38  1  1  A  49  GLU  A   48  .  ?        ?     ?  
 39  1  1  A  50  GLU  A   49  .  ?        ?     ?  
 40  1  1  A  51  ILE  A   50  .  ?        ?     ?  
 41  1  1  A  52  SER  A   51  .  ?        ?     1  
 42  1  1  A  53  GLN  A   52  .  ?        ?     ?  
 43  1  1  A  54  ARG  A   53  .  ?        2     ?  
 44  1  1  A  55  PHE  A   54  .  ?        ?     ?  
 45  1  1  A  56  LYS  A   55  .  ?        ?     ?  
 46  1  1  A  57  ALA  A   56  .  ?        ?     1  
 47  1  1  A  58  HIS  A   57  .  ?        ?     1  
 48  1  1  A  59  PRO  A   58  .  ?        ?     ?  
 49  1  1  A  60  ASP  A   59  .  ?        ?     ?  
 50  1  1  A  61  GLN  A   60  .  ?        ?     1  
 51  1  1  A  62  LEU  A   61  .  ?        ?     ?  
 52  1  1  A  63  VAL  A   62  .  ?        ?     ?  
 53  1  1  A  64  LEU  A   63  .  ?        ?     ?  
 54  1  1  A  65  ILE  A   64  .  ?        ?     ?  
 55  1  1  A  66  PHE  A   65  .  ?        ?     ?  
 56  1  1  A  67  ALA  A   66  .  ?        ?     ?  
 57  1  1  A  68  GLY  A   67  .  ?        ?     ?  
 58  1  1  A  69  LYS  A   68  .  ?        ?     ?  
 59  1  1  A  70  ILE  A   69  .  ?        ?     ?  
 60  1  1  A  71  LEU  A   70  .  ?        ?     ?  
 61  1  1  A  72  LYS  A   71  .  ?        ?     ?  
 62  1  1  A  73  ASP  A   72  .  ?        ?     ?  
 63  1  1  A  74  PRO  A   73  .  ?        ?     ?  
 64  1  1  A  75  ASP  A   74  .  ?        ?     ?  
 65  1  1  A  76  SER  A   75  .  ?        ?     1  
 66  1  1  A  77  LEU  A   76  .  ?        ?     ?  
 67  1  1  A  78  ALA  A   77  .  ?        ?     ?  
 68  1  1  A  79  GLN  A   78  .  ?        ?     ?  
 69  1  1  A  80  CYS  A   79  .  ?        ?     ?  
 70  1  1  A  81  GLY  A   80  .  ?        ?     ?  
 71  1  1  A  82  VAL  A   81  .  ?        ?     ?  
 72  1  1  A  83  ARG  A   82  .  ?        ?     1  
 73  1  1  A  84  ASP  A   83  .  ?        ?     ?  
 74  1  1  A  85  GLY  A   84  .  ?        ?     ?  
 75  1  1  A  86  LEU  A   85  .  ?        ?     ?  
 76  1  1  A  87  THR  A   86  .  ?        ?     ?  
 77  1  1  A  88  VAL  A   87  .  ?        ?     ?  
 78  1  1  A  89  HIS  A   88  .  ?        ?     1  
 79  1  1  A  90  LEU  A   89  .  ?        ?     ?  
 80  1  1  A  91  VAL  A   90  .  ?        ?     ?  
 81  1  1  A  92  ILE  A   91  .  ?        ?     ?  
 82  1  1  A  93  LYS  A   92  .  ?        ?     ?  
 83  1  1  A  94  ARG  A   93  .  ?        ?     ?  
 84  1  1  A  95  GLN  A   94  .  ?        ?     ?  
 85  1  1  A  96  HIS  A   95  .  ?        ?     2  
 86  1  1  A  97  ARG  A   96  .  ?        ?     ?  
 87  1  1  A  98  ALA  A   97  .  ?        ?     ?  
 88  1  1  A  99  MET  A   98  .  ?        ?     ?  
 89  1  2  B   .  HOH  A  100  .  ?        ?     ?  
 90  1  2  B   .  HOH  A  101  .  ?        ?     ?  
 91  1  2  B   .  HOH  A  102  .  ?        ?     ?  
 92  1  2  B   .  HOH  A  103  .  ?        ?     ?  
 93  1  2  B   .  HOH  A  104  .  ?        ?     ?  
 94  1  2  B   .  HOH  A  105  .  ?        ?     ?  
 95  1  2  B   .  HOH  A  106  .  ?        ?     ?  
 96  1  2  B   .  HOH  A  107  .  ?        ?     1  
 97  1  2  B   .  HOH  A  108  .  ?        ?     ?  
 98  1  2  B   .  HOH  A  109  .  ?        ?     ?  
 99  1  2  B   .  HOH  A  110  .  ?        ?     ?  
100  1  2  B   .  HOH  A  111  .  ?        ?     ?  
101  1  2  B   .  HOH  A  112  .  ?        ?     ?  
102  1  2  B   .  HOH  A  113  .  ?        ?     ?  
103  1  2  B   .  HOH  A  114  .  ?        ?     ?  
104  1  2  B   .  HOH  A  115  .  ?        ?     ?  
105  1  2  B   .  HOH  A  116  .  ?        ?     ?  
106  1  2  B   .  HOH  A  117  .  ?        ?     ?  
107  1  2  B   .  HOH  A  118  .  ?        ?     ?  
108  1  2  B   .  HOH  A  119  .  ?        ?     ?  
109  1  2  B   .  HOH  A  120  .  ?        ?     ?  
110  1  2  B   .  HOH  A  121  .  ?        ?     ?  
111  1  2  B   .  HOH  A  122  .  ?        ?     ?  
112  1  2  B   .  HOH  A  123  .  ?        ?     ?  
113  1  2  B   .  HOH  A  124  .  ?        ?     ?  
114  1  2  B   .  HOH  A  125  .  ?        ?     ?  
115  1  2  B   .  HOH  A  126  .  ?        ?     ?  
116  1  2  B   .  HOH  A  127  .  ?        ?     ?  
117  1  2  B   .  HOH  A  128  .  ?        ?     ?  
118  1  2  B   .  HOH  A  129  .  ?        ?     ?  
119  1  2  B   .  HOH  A  130  .  ?        ?     ?  
120  1  2  B   .  HOH  A  131  .  ?        ?     ?  
121  1  2  B   .  HOH  A  132  .  ?        ?     ?  
122  1  2  B   .  HOH  A  133  .  ?        ?     ?  
123  1  2  B   .  HOH  A  134  .  ?        ?     ?  
124  1  2  B   .  HOH  A  135  .  ?        ?     2  
125  1  2  B   .  HOH  A  136  .  ?        ?     ?  
126  1  2  B   .  HOH  A  137  .  ?        ?     ?  
127  1  2  B   .  HOH  A  138  .  ?        ?     ?  
128  1  2  B   .  HOH  A  139  .  ?        ?     ?  
129  1  2  B   .  HOH  A  140  .  ?        ?     ?  
130  1  2  B   .  HOH  A  141  .  ?        ?     ?  
131  1  2  B   .  HOH  A  142  .  ?        ?     ?  
132  1  2  B   .  HOH  A  143  .  ?        ?     ?  
133  1  2  B   .  HOH  A  144  .  ?        ?     ?  
134  1  2  B   .  HOH  A  145  .  ?        ?     ?  
135  1  2  B   .  HOH  A  146  .  ?        ?     ?  
136  1  2  B   .  HOH  A  147  .  ?        ?     ?  
137  1  2  B   .  HOH  A  148  .  ?        ?     ?  
138  1  2  B   .  HOH  A  149  .  ?        ?     ?  
139  1  2  B   .  HOH  A  150  .  ?        ?     ?  
140  1  2  B   .  HOH  A  151  .  ?        ?     1  
141  1  2  B   .  HOH  A  152  .  ?        ?     ?  
142  1  2  B   .  HOH  A  153  .  ?        ?     ?  
143  1  2  B   .  HOH  A  154  .  ?        ?     ?  
144  1  2  B   .  HOH  A  155  .  ?        ?     ?  
145  1  2  B   .  HOH  A  156  .  ?        ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  t             ?       ?  ?           ?     4  49.130     6  1.58     8  0.35  molprobity  1.000  
  2    2  ?          59.7  -143.6  Favored     ?     3  41.700     4  0.57     5  0.82  molprobity  1.000  
  3    3  mt        -79.9    -6.6  Favored     ?    11  39.130     8  0.54    11  1.09  molprobity  1.000  
  4    4  t        -104.2   125.8  Favored     ?     9  39.240     7  0.66    11  0.63  molprobity  1.000  
  5    5  Cg_endo   -69.2   161.9  Favored     ?     7  44.380     8  0.76    11  0.47  molprobity  1.000  
  6    6  ptm180    -72.1   -34.4  Favored     ?    13  58.560    11  1.04    14  1.44  molprobity  1.000  
  7    7  ?        -125.4  -168.4  Favored     ?     3  51.040     4  0.71     5  0.57  molprobity  1.000  
  8    8  t        -149.9   143.9  Favored     ?     5  49.050     6  0.58     9  0.59  molprobity  1.000  
  9    9  Cg_endo   -58.2   -32.3  Favored     ?     7  51.130     8  0.65    11  0.85  molprobity  1.000  
 10   10  m-70      -78.4   -10.1  Favored     ?     7  53.380    11  0.44    15  0.47  molprobity  1.000  
 11   11  tp       -112.5   103.7  Favored     ?    11  42.810     8  0.86    11  0.99  molprobity  1.000  
 12   12  pt       -108.1   165.8  Favored     ?    11  34.180     8  0.64    11  0.52  molprobity  1.000  
 13   13  ttmm     -122.9   125.7  Favored     ?    13  37.470     9  0.89    11  0.51  molprobity  1.000  
 14   14  m        -121.0   142.2  Favored     ?     9  31.540     7  1.72    10  1.20  molprobity  1.000  
 15   15  m         -92.4   125.1  Favored     ?     7  27.780     7  0.59    10  0.46  molprobity  1.000  
 16   16  t        -101.0   116.6  Favored     ?     9  24.380     7  0.81    10  0.67  molprobity  1.000  
 17   17  tmtt?    -115.0   123.7  Favored     ?    13  32.810     9  1.77    11  1.12  molprobity  1.000  
 18   18  p        -103.9   175.7  Favored     ?     7  31.190     7  0.77    11  1.05  molprobity  1.000  
 19   19  Cg_exo    -56.7   -17.6  Favored     ?     7  37.800     8  0.56    11  0.68  molprobity  1.000  
 20   20  mptt     -120.3   -18.7  Favored     ?    13  43.730     9  1.00    11  0.79  molprobity  1.000  
 21   21  m-20     -132.2   160.3  Favored     ?     4  39.630     8  0.66    11  0.48  molprobity  1.000  
 22   22  ttpp     -140.5   113.5  Favored     ?    13  38.790     9  1.55    11  1.35  molprobity  1.000  
 23   23  mm-40    -134.7   132.4  Favored     ?     6  31.700     9  0.95    12  0.69  molprobity  1.000  
 24   24  m-20      -87.7   143.8  Favored     ?     4  29.520     8  0.87    11  1.67  molprobity  1.000  
 25   25  m-85     -127.5   121.1  Favored     ?     9  24.100    12  1.65    16  0.84  molprobity  1.000  
 26   26  m         -79.2   128.4  Favored     ?     5  28.380     6  1.25     8  0.85  molprobity  1.000  
 27   27  m        -143.0   158.5  Favored     ?     9  31.880     7  1.64    10  1.05  molprobity  1.000  
 28   28  p         -80.2   147.3  Favored     ?     7  36.630     7  1.18    10  0.94  molprobity  1.000  
 29   29  p-10      -64.4   -28.1  Favored     ?     4  45.670     8  0.96    11  1.34  molprobity  1.000  
 30   30  p         -90.9     5.3  Favored     ?     7  38.880     7  0.81    10  1.00  molprobity  1.000  
 31   31  t         -59.2   137.6  Favored     ?     5  31.130     6  0.51     8  1.18  molprobity  1.000  
 32   32  p         -86.0   164.7  Favored     ?     7  24.820     7  0.58    10  0.73  molprobity  1.000  
 33   33  mm        -58.2   -42.8  Favored     ?    11  21.890     8  0.89    11  0.73  molprobity  1.000  
 34   34  tt0       -63.2   -39.4  Favored     ?     8  27.210     9  1.16    12  0.32  molprobity  1.000  
 35   35  mt-30     -69.4   -41.6  Favored     ?     8  26.260     9  0.78    12  0.59  molprobity  1.000  
 36   36  tp        -60.5   -38.8  Favored     ?    11  21.830     8  0.99    11  0.89  molprobity  1.000  
 37   37  mttt      -58.6   -39.1  Favored     ?    13  20.710     9  0.83    11  0.59  molprobity  1.000  
 38   38  tp10      -66.0   -43.8  Favored     ?     6  23.380     9  1.58    12  0.77  molprobity  1.000  
 39   39  mm-40     -62.3   -44.5  Favored     ?     6  21.100     9  1.36    12  0.81  molprobity  1.000  
 40   40  mt        -61.6   -41.3  Favored     ?    11  21.070     8  1.05    11  0.58  molprobity  1.000  
 41   41  m         -57.8   -39.9  Favored     ?     5  24.040     6  0.97     8  1.13  molprobity  1.000  
 42   42  mm-40     -72.6   -30.8  Favored     ?     8  24.120     9  1.04    12  0.65  molprobity  1.000  
 43   43  tpt180    -76.5   -48.5  Favored     ?    13  26.700    11  0.96    14  2.52  molprobity  1.000  
 44   44  m-85      -85.5   -15.1  Favored     ?     9  28.030    12  0.98    16  0.51  molprobity  1.000  
 45   45  mmtt       62.5    63.5  Allowed     ?    13  30.070     9  0.78    11  0.96  molprobity  1.000  
 46   46  ?        -132.7   164.3  Favored     ?     5  25.040     5  0.96     7  0.60  molprobity  1.000  
 47   47  t-80      -90.2   143.0  Favored     ?     7  23.150    11  0.62    16  0.71  molprobity  1.000  
 48   48  Cg_exo    -52.4   -30.4  Favored     ?     7  24.700     8  1.14    11  0.70  molprobity  1.000  
 49   49  m-20      -68.0   -19.5  Favored     ?     4  26.620     8  1.19    11  0.83  molprobity  1.000  
 50   50  mt-30     -69.5   -18.1  Favored     1     8  23.350     9  0.84    12  0.68  molprobity  1.000  
 51   51  mt        -95.8   129.1  Favored     ?    11  19.670     8  0.69    11  1.12  molprobity  1.000  
 52   52  t        -125.3   119.3  Favored     ?     9  22.600     7  0.74    10  0.60  molprobity  1.000  
 53   53  mt       -108.6   138.3  Favored     ?    11  22.380     8  0.69    11  0.83  molprobity  1.000  
 54   54  mt       -132.6   135.0  Favored     ?    11  22.790     8  0.69    11  1.14  molprobity  1.000  
 55   55  t80      -146.5   140.0  Favored     ?     9  22.990    12  1.13    16  0.69  molprobity  1.000  
 56   56  ?          53.4    33.0  Favored     ?     5  23.760     5  1.83     7  0.95  molprobity  1.000  
 57   57  ?          73.9     8.0  Favored     ?     3  25.200     4  1.18     5  0.50  molprobity  1.000  
 58   58  mttm     -110.3   134.4  Favored     ?    13  32.390     9  0.36    11  0.74  molprobity  1.000  
 59   59  mt        -68.4   122.8  Favored     ?    11  25.950     8  0.58    11  0.63  molprobity  1.000  
 60   60  mt        -80.3   143.2  Favored     ?    11  23.250     8  0.80    11  0.75  molprobity  1.000  
 61   61  mtmm     -107.6   136.8  Favored     ?    13  33.800     9  0.72    11  0.77  molprobity  1.000  
 62   62  m-20      -41.4   -52.1  Favored     ?     4  29.450     8  0.71    12  1.30  molprobity  1.000  
 63   63  Cg_endo   -69.9   -13.1  Favored     ?     7  31.290     8  0.68    11  0.90  molprobity  1.000  
 64   64  m-20      -80.8   153.2  Favored     ?     4  31.590     8  0.51    11  1.35  molprobity  1.000  
 65   65  p         -88.1   159.9  Favored     ?     5  29.380     6  0.86     8  0.82  molprobity  1.000  
 66   66  mt        -54.0   -45.7  Favored     ?    11  31.030     8  0.49    11  0.51  molprobity  1.000  
 67   67  ?         -55.3   -51.0  Favored     ?     5  35.000     5  0.82     7  0.78  molprobity  1.000  
 68   68  mt-30     -54.9   -33.3  Favored     ?     8  41.790     9  0.77    12  1.27  molprobity  1.000  
 69   69  m         -77.6   -14.0  Favored     ?     5  34.470     6  0.75     8  0.49  molprobity  1.000  
 70   70  ?          87.3    11.5  Favored     ?     3  31.000     4  0.53     5  0.75  molprobity  1.000  
 71   71  t         -79.5   124.0  Favored     ?     9  29.060     7  0.80    10  0.64  molprobity  1.000  
 72   72  mtm105   -126.0   167.9  Favored     ?    13  39.130    11  1.40    14  1.37  molprobity  1.000  
 73   73  t0        -45.5   125.5  Favored     ?     4  29.880     8  0.56    11  1.06  molprobity  1.000  
 74   74  ?          87.1    -1.2  Favored     ?     3  25.400     4  0.47     5  0.49  molprobity  1.000  
 75   75  mt        -88.9   173.7  Favored     ?    11  23.940     8  0.80    11  0.96  molprobity  1.000  
 76   76  m        -118.0   126.8  Favored     ?     7  25.660     7  1.06    10  0.94  molprobity  1.000  
 77   77  t        -106.6   134.6  Favored     ?     9  24.100     7  1.05    10  1.11  molprobity  1.000  
 78   78  m80       -85.2   138.4  Favored     1     7  23.780    11  0.53    15  0.52  molprobity  1.000  
 79   79  tp       -126.5   128.0  Favored     ?    11  22.870     8  0.68    11  0.60  molprobity  1.000  
 80   80  t        -110.5   127.7  Favored     ?     9  27.040     7  0.33    10  0.64  molprobity  1.000  
 81   81  mt       -104.3   107.3  Favored     ?    11  28.110     8  0.46    11  1.01  molprobity  1.000  
 82   82  mtmt      -64.8   126.8  Favored     ?    13  30.700     9  0.43    11  0.90  molprobity  1.000  
 83   83  ttp85     -67.6   132.2  Favored     ?    13  44.150    11  1.08    14  1.45  molprobity  1.000  
 84   84  mt-30     -67.1   138.6  Favored     ?     8  34.360     9  0.61    12  0.45  molprobity  1.000  
 85   85  m-70      -64.6   158.3  Favored     ?     7  44.870    11  0.38    15  0.51  molprobity  1.000  
 86   86  mtm180    -66.5   -24.5  Favored     ?    13  57.460    11  0.87    14  0.93  molprobity  1.000  
 87   87  ?        -148.4   156.6  Favored     ?     5  47.510     5  0.73     7  0.58  molprobity  1.000  
 88   88  mmm           ?       ?  ?           ?     9  51.510     7  0.44     7  1.17  molprobity  1.000  
 89   89  ?             ?       ?  ?           ?     ?  23.820     ?     ?     ?     ?  ?           1.000  
 90   90  ?             ?       ?  ?           ?     ?  24.790     ?     ?     ?     ?  ?           1.000  
 91   91  ?             ?       ?  ?           ?     ?  21.790     ?     ?     ?     ?  ?           1.000  
 92   92  ?             ?       ?  ?           ?     ?  26.220     ?     ?     ?     ?  ?           1.000  
 93   93  ?             ?       ?  ?           ?     ?  26.060     ?     ?     ?     ?  ?           1.000  
 94   94  ?             ?       ?  ?           ?     ?  21.290     ?     ?     ?     ?  ?           1.000  
 95   95  ?             ?       ?  ?           ?     ?  33.800     ?     ?     ?     ?  ?           1.000  
 96   96  ?             ?       ?  ?           ?     ?  31.220     ?     ?     ?     ?  ?           1.000  
 97   97  ?             ?       ?  ?           ?     ?  32.690     ?     ?     ?     ?  ?           1.000  
 98   98  ?             ?       ?  ?           ?     ?  28.280     ?     ?     ?     ?  ?           1.000  
 99   99  ?             ?       ?  ?           ?     ?  40.770     ?     ?     ?     ?  ?           1.000  
100  100  ?             ?       ?  ?           ?     ?  32.790     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?       ?  ?           ?     ?  35.320     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?       ?  ?           ?     ?  32.410     ?     ?     ?     ?  ?           0.500  
103  103  ?             ?       ?  ?           ?     ?  41.710     ?     ?     ?     ?  ?           1.000  
104  104  ?             ?       ?  ?           ?     ?  34.130     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?       ?  ?           ?     ?  36.200     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?       ?  ?           ?     ?  41.380     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?           ?     ?  45.150     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?           ?     ?  37.150     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?           ?     ?  30.200     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?           ?     ?  28.300     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?       ?  ?           ?     ?  49.510     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?           ?     ?  46.060     ?     ?     ?     ?  ?           1.000  
113  113  ?             ?       ?  ?           ?     ?  68.430     ?     ?     ?     ?  ?           1.000  
114  114  ?             ?       ?  ?           ?     ?  51.950     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?           ?     ?  47.540     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?           ?     ?  42.360     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?     ?  51.680     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?     ?  27.020     ?     ?     ?     ?  ?           1.000  
119  119  ?             ?       ?  ?           ?     ?  37.820     ?     ?     ?     ?  ?           1.000  
120  120  ?             ?       ?  ?           ?     ?  35.330     ?     ?     ?     ?  ?           1.000  
121  121  ?             ?       ?  ?           ?     ?  40.630     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?     ?  41.510     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?     ?  47.390     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?     ?  56.440     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?     ?  43.690     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?     ?  50.920     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?     ?  47.660     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?     ?  51.640     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?     ?  56.670     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?     ?  58.060     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?     ?  52.480     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?     ?  48.250     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?     ?  57.740     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?     ?  43.100     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?     ?  50.370     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?     ?  50.290     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?     ?  45.750     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?     ?  46.150     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?     ?  58.160     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?     ?  35.890     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?     ?  49.570     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?     ?  56.300     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?     ?  57.560     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?     ?  47.190     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?     ?  64.020     ?     ?     ?     ?  ?           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   10  O     1  0.48  2.13  
 2   28  HA    1  0.48  2.13  
 3   32  HA    2  0.43  2.01  
 4   41  HB3   3  0.43  2.19  
 5   46  O     3  0.43  2.19  
 6   47  H     4  0.65  1.44  
 7   50  HE21  4  0.65  1.44  
 8   65  HA    2  0.43  2.01  
 9   72  NH1   5  0.81  2.14  
10   78  HD2   6  0.74  1.69  
11   85  HD2   7  0.63  1.81  
12   85  CD2   8  0.54  2.59  
13   96  O     6  0.74  1.69  
14  124  O     7  0.63  1.81  
15  124  O     8  0.54  2.59  
16  140  O     5  0.81  2.14  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1  43  NE  CZ  NH1  123.003  120.300  0.500   5.41  
2  43  NE  CZ  NH2  116.894  120.300  0.500  -6.81  
#
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   6  0.800  0.346   3.827  
  2    2   4  0.943  0.117   0.029  
  3    3   8  0.920  0.138   0.192  
  4    4   7  0.951  0.124   0.006  
  5    5   7  0.956  0.120   0.032  
  6    6  11  0.769  0.362   3.170  
  7    7   4  0.918  0.167   0.872  
  8    8   6  0.891  0.093  -0.497  
  9    9   7  0.880  0.275   2.746  
 10   10  10  0.884  0.230   1.774  
 11   11   8  0.905  0.200   1.442  
 12   12   8  0.932  0.117  -0.227  
 13   13   9  0.897  0.200   0.522  
 14   14   7  0.944  0.147   0.470  
 15   15   7  0.968  0.105  -0.268  
 16   16   7  0.974  0.084  -0.800  
 17   17   9  0.908  0.143  -0.259  
 18   18   7  0.943  0.089  -0.564  
 19   19   7  0.943  0.146   0.487  
 20   20   9  0.867  0.264   1.399  
 21   21   8  0.917  0.222   1.362  
 22   22   9  0.916  0.192   0.412  
 23   23   9  0.951  0.107  -0.668  
 24   24   8  0.953  0.126  -0.099  
 25   25  11  0.978  0.082  -0.791  
 26   26   6  0.954  0.084  -0.651  
 27   27   7  0.954  0.118  -0.115  
 28   28   7  0.926  0.110  -0.176  
 29   29   8  0.893  0.286   2.336  
 30   30   7  0.888  0.133   0.250  
 31   31   6  0.970  0.080  -0.581  
 32   32   7  0.976  0.075  -0.823  
 33   33   8  0.979  0.089  -0.801  
 34   34   9  0.947  0.105  -0.565  
 35   35   9  0.961  0.143  -0.001  
 36   36   8  0.975  0.126  -0.050  
 37   37   9  0.970  0.123  -0.533  
 38   38   9  0.959  0.160   0.052  
 39   39   9  0.956  0.119  -0.505  
 40   40   8  0.974  0.138   0.203  
 41   41   6  0.972  0.164   0.716  
 42   42   9  0.977  0.129  -0.209  
 43   43  11  0.969  0.088  -0.877  
 44   44  11  0.932  0.134   0.283  
 45   45   9  0.973  0.146  -0.218  
 46   46   5  0.975  0.134   0.333  
 47   47  10  0.971  0.143   0.317  
 48   48   7  0.964  0.201   1.450  
 49   49   8  0.963  0.099  -0.510  
 50   50   9  0.970  0.096  -0.699  
 51   51   8  0.977  0.133   0.091  
 52   52   7  0.980  0.089  -0.700  
 53   53   8  0.975  0.108  -0.413  
 54   54   8  0.971  0.112  -0.330  
 55   55  11  0.970  0.103  -0.357  
 56   56   5  0.942  0.100  -0.299  
 57   57   4  0.976  0.079  -0.612  
 58   58   9  0.966  0.199   0.508  
 59   59   8  0.975  0.118  -0.207  
 60   60   8  0.967  0.085  -0.877  
 61   61   9  0.948  0.187   0.344  
 62   62   8  0.961  0.073  -0.906  
 63   63   7  0.972  0.120   0.032  
 64   64   8  0.944  0.125  -0.114  
 65   65   6  0.940  0.086  -0.617  
 66   66   8  0.983  0.086  -0.857  
 67   67   5  0.956  0.087  -0.541  
 68   68   9  0.906  0.218   1.111  
 69   69   6  0.963  0.086  -0.444  
 70   70   4  0.970  0.096  -0.325  
 71   71   7  0.968  0.110  -0.276  
 72   72  11  0.852  0.230   1.220  
 73   73   8  0.973  0.097  -0.540  
 74   74   4  0.980  0.119   0.062  
 75   75   8  0.957  0.187   1.179  
 76   76   7  0.972  0.115  -0.083  
 77   77   7  0.986  0.116  -0.155  
 78   78  10  0.966  0.084  -0.672  
 79   79   8  0.974  0.092  -0.736  
 80   80   7  0.964  0.119  -0.095  
 81   81   8  0.971  0.085  -0.883  
 82   82   9  0.966  0.092  -0.958  
 83   83  11  0.871  0.239   1.353  
 84   84   9  0.933  0.125  -0.269  
 85   85  10  0.883  0.250   2.109  
 86   86  11  0.714  0.357   3.096  
 87   87   5  0.923  0.197   1.504  
 88   88   8  0.941  0.227   1.917  
 89   89   1  0.988  0.186       ?  
 90   90   1  0.946  0.286       ?  
 91   91   1  0.986  0.103       ?  
 92   92   1  0.984  0.185       ?  
 93   93   1  0.980  0.098       ?  
 94   94   1  0.987  0.133       ?  
 95   95   1  0.956  0.103       ?  
 96   96   1  0.970  0.091       ?  
 97   97   1  0.988  0.214       ?  
 98   98   1  0.963  0.115       ?  
 99   99   1  0.865  0.170       ?  
100  100   1  0.923  0.119       ?  
101  101   1  0.946  0.195       ?  
102  102   1  0.986  0.270       ?  
103  103   1  0.934  0.388       ?  
104  104   1  0.952  0.151       ?  
105  105   1  0.939  0.125       ?  
106  106   1  0.785  0.213       ?  
107  107   1  0.888  0.216       ?  
108  108   1  0.927  0.143       ?  
109  109   1  0.936  0.139       ?  
110  110   1  0.920  0.219       ?  
111  111   1  0.898  0.781       ?  
112  112   1  0.767  0.191       ?  
113  113   1  0.803  0.169       ?  
114  114   1  0.704  0.477       ?  
115  115   1  0.951  0.159       ?  
116  116   1  0.863  0.323       ?  
117  117   1  0.932  0.286       ?  
118  118   1  0.973  0.255       ?  
119  119   1  0.967  0.183       ?  
120  120   1  0.968  0.205       ?  
121  121   1  0.890  0.143       ?  
122  122   1  0.832  0.301       ?  
123  123   1  0.931  0.144       ?  
124  124   1  0.706  0.312       ?  
125  125   1  0.946  0.454       ?  
126  126   1  0.828  0.122       ?  
127  127   1  0.898  0.204       ?  
128  128   1  0.907  0.277       ?  
129  129   1  0.752  0.180       ?  
130  130   1  0.673  0.127       ?  
131  131   1  0.910  0.108       ?  
132  132   1  0.926  0.199       ?  
133  133   1  0.691  0.230       ?  
134  134   1  0.957  0.201       ?  
135  135   1  0.788  0.302       ?  
136  136   1  0.701  0.289       ?  
137  137   1  0.899  0.739       ?  
138  138   1  0.930  0.276       ?  
139  139   1  0.535  0.453       ?  
140  140   1  0.966  0.274       ?  
141  141   1  0.975  0.132       ?  
142  142   1  0.677  0.168       ?  
143  143   1  0.769  0.121       ?  
144  144   1  0.863  0.240       ?  
145  145   1  0.753  0.187       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.35                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
