data_3IQQ

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3IQQ
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3IQQ
_pdbx_vrpt_summary.PDB_deposition_date         2009-08-20
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-09-06
_pdbx_vrpt_summary.report_creation_date        2023-08-27:09:17
_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      "Protein S100-B"  
2  polymer      "TRTK12 peptide, CapZ protein"  
3  non-polymer  "CALCIUM ION"  
4  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
E  4  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.01  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  13.43  141614     ?     ?  
 2  2  1   8.41    9178  2.00  2.00  
 3  1  2  14.01  138981     ?     ?  
 4  2  2   7.69    9054  2.00  2.00  
 5  1  3   7.01  138945     ?     ?  
 6  2  3   3.81    9053  2.00  2.00  
 7  1  4   8.56  127900     ?     ?  
 8  2  4   7.99    7900  2.00  2.00  
 9  1  5  19.18  130704     ?     ?  
10  2  5  12.53    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   13.15  
 4  6  3  A  1  1  A    8.62  
 5  7  4  A  1  1  A   44.79  
 6  8  4  A  1  1  A   43.97  
 7  3  2  B  1  2  B    0.15  
 8  4  2  B  1  2  B    0.02  
 9  5  3  B  1  2  B    0.05  
10  6  3  B  1  2  B    0.03  
11  7  4  B  1  2  B    0.04  
12  8  4  B  1  2  B    0.03  
#
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  0.73  0.69  729  975  
2  1  2  B  B  1.34  0.68   77  103  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  1.06
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       10.23
_pdbx_vrpt_summary_geometry.clashscore                     15.99
_pdbx_vrpt_summary_geometry.num_H_reduce                   767
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 806
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.69
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1078
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.81
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 10.000
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            44.841
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         32.845
_pdbx_vrpt_summary_diffraction.I_over_sigma              9.07(2.01A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6041
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.202
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.334
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.481
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.311
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.936
_pdbx_vrpt_summary_diffraction.DCC_R                     0.22
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.27
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.01
_pdbx_vrpt_summary_diffraction.EDS_res_low               35.69
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[30.047,34.052,36.835,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.202
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 13.29% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             PARTIAL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         98.77
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      278
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.60
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     9.18
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.01
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        35.69
_pdbx_vrpt_summary_diffraction.PDB_R                     0.22
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
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_bond_outliers
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_symm_clashes
_pdbx_vrpt_model_instance.count_plane_outliers
  1  1  1  A   1  MET  A    0  .  ?        ?     ?     ?     ?  
  2  1  1  A   2  SER  A    1  .  ?        ?     ?     ?     ?  
  3  1  1  A   3  GLU  A    2  .  ?        ?     ?     ?     ?  
  4  1  1  A   4  LEU  A    3  .  ?        ?     ?     ?     ?  
  5  1  1  A   5  GLU  A    4  .  ?        ?     ?     ?     ?  
  6  1  1  A   6  LYS  A    5  .  ?        ?     ?     ?     ?  
  7  1  1  A   7  ALA  A    6  .  ?        ?     ?     ?     ?  
  8  1  1  A   8  VAL  A    7  .  ?        ?     ?     ?     ?  
  9  1  1  A   9  VAL  A    8  .  ?        ?     ?     ?     ?  
 10  1  1  A  10  ALA  A    9  .  ?        ?     ?     ?     ?  
 11  1  1  A  11  LEU  A   10  .  ?        ?     ?     ?     ?  
 12  1  1  A  12  ILE  A   11  .  ?        ?     ?     ?     ?  
 13  1  1  A  13  ASP  A   12  .  ?        ?     ?     ?     ?  
 14  1  1  A  14  VAL  A   13  .  ?        ?     ?     ?     ?  
 15  1  1  A  15  PHE  A   14  .  ?        ?     ?     ?     ?  
 16  1  1  A  16  HIS  A   15  .  ?        ?     ?     ?     ?  
 17  1  1  A  17  GLN  A   16  .  ?        ?     ?     ?     ?  
 18  1  1  A  18  TYR  A   17  .  ?        ?     ?     ?     ?  
 19  1  1  A  19  SER  A   18  .  ?        ?     ?     ?     ?  
 20  1  1  A  20  GLY  A   19  .  ?        ?     ?     ?     ?  
 21  1  1  A  21  ARG  A   20  .  ?        ?     ?     ?     ?  
 22  1  1  A  22  GLU  A   21  .  ?        ?     ?     ?     ?  
 23  1  1  A  23  GLY  A   22  .  ?        ?     ?     ?     ?  
 24  1  1  A  24  ASP  A   23  .  ?        ?     ?     ?     ?  
 25  1  1  A  25  LYS  A   24  .  ?        ?     ?     ?     ?  
 26  1  1  A  26  HIS  A   25  .  ?        ?     ?     ?     ?  
 27  1  1  A  27  LYS  A   26  .  ?        ?     ?     ?     ?  
 28  1  1  A  28  LEU  A   27  .  ?        ?     ?     ?     ?  
 29  1  1  A  29  LYS  A   28  .  ?        ?     ?     ?     ?  
 30  1  1  A  30  LYS  A   29  .  ?        ?     ?     ?     ?  
 31  1  1  A  31  SER  A   30  .  ?        ?     1     ?     ?  
 32  1  1  A  32  GLU  A   31  .  ?        ?     ?     ?     ?  
 33  1  1  A  33  LEU  A   32  .  ?        ?     ?     ?     ?  
 34  1  1  A  34  LYS  A   33  .  ?        ?     ?     ?     ?  
 35  1  1  A  35  GLU  A   34  .  ?        ?     1     ?     ?  
 36  1  1  A  36  LEU  A   35  .  ?        ?     ?     ?     ?  
 37  1  1  A  37  ILE  A   36  .  ?        ?     ?     ?     ?  
 38  1  1  A  38  ASN  A   37  .  ?        ?     2     ?     ?  
 39  1  1  A  39  ASN  A   38  .  ?        ?     ?     ?     ?  
 40  1  1  A  40  GLU  A   39  .  ?        ?     ?     ?     ?  
 41  1  1  A  41  LEU  A   40  .  ?        ?     ?     ?     ?  
 42  1  1  A  42  SER  A   41  .  ?        ?     ?     ?     ?  
 43  1  1  A  43  HIS  A   42  .  ?        ?     1     ?     ?  
 44  1  1  A  44  PHE  A   43  .  ?        ?     ?     ?     ?  
 45  1  1  A  45  LEU  A   44  .  ?        ?     1     ?     ?  
 46  1  1  A  46  GLU  A   45  .  ?        ?     2     ?     ?  
 47  1  1  A  47  GLU  A   46  .  ?        ?     ?     ?     ?  
 48  1  1  A  48  ILE  A   47  .  ?        ?     4     ?     ?  
 49  1  1  A  49  LYS  A   48  .  ?        ?     ?     ?     ?  
 50  1  1  A  50  GLU  A   49  .  ?        ?     ?     ?     ?  
 51  1  1  A  51  GLN  A   50  .  ?        ?     ?     ?     ?  
 52  1  1  A  52  GLU  A   51  .  ?        ?     ?     ?     ?  
 53  1  1  A  53  VAL  A   52  .  ?        ?     ?     ?     ?  
 54  1  1  A  54  VAL  A   53  .  ?        ?     2     ?     ?  
 55  1  1  A  55  ASP  A   54  .  ?        ?     ?     ?     ?  
 56  1  1  A  56  LYS  A   55  .  ?        ?     ?     ?     ?  
 57  1  1  A  57  VAL  A   56  .  ?        ?     ?     ?     ?  
 58  1  1  A  58  MET  A   57  .  ?        ?     ?     ?     ?  
 59  1  1  A  59  GLU  A   58  .  ?        ?     ?     ?     ?  
 60  1  1  A  60  THR  A   59  .  ?        ?     ?     ?     ?  
 61  1  1  A  61  LEU  A   60  .  ?        ?     ?     ?     ?  
 62  1  1  A  62  ASP  A   61  .  ?        ?     ?     ?     ?  
 63  1  1  A  63  SER  A   62  .  ?        ?     ?     ?     ?  
 64  1  1  A  64  ASP  A   63  .  ?        ?     ?     ?     ?  
 65  1  1  A  65  GLY  A   64  .  ?        ?     ?     ?     ?  
 66  1  1  A  66  ASP  A   65  .  ?        ?     ?     ?     ?  
 67  1  1  A  67  GLY  A   66  .  ?        ?     ?     ?     ?  
 68  1  1  A  68  GLU  A   67  .  ?        ?     ?     ?     ?  
 69  1  1  A  69  CYS  A   68  .  ?        ?     ?     ?     ?  
 70  1  1  A  70  ASP  A   69  .  ?        ?     ?     ?     ?  
 71  1  1  A  71  PHE  A   70  .  ?        ?     ?     ?     ?  
 72  1  1  A  72  GLN  A   71  .  ?        ?     ?     ?     ?  
 73  1  1  A  73  GLU  A   72  .  ?        ?     ?     ?     ?  
 74  1  1  A  74  PHE  A   73  .  ?        ?     ?     ?     ?  
 75  1  1  A  75  MET  A   74  .  ?        ?     ?     ?     ?  
 76  1  1  A  76  ALA  A   75  .  ?        ?     ?     ?     ?  
 77  1  1  A  77  PHE  A   76  .  ?        ?     ?     ?     ?  
 78  1  1  A  78  VAL  A   77  .  ?        ?     ?     ?     ?  
 79  1  1  A  79  ALA  A   78  .  ?        ?     ?     ?     ?  
 80  1  1  A  80  MET  A   79  .  ?        ?     ?     ?     ?  
 81  1  1  A  81  ILE  A   80  .  ?        ?     ?     ?     ?  
 82  1  1  A  82  THR  A   81  .  ?        ?     ?     ?     ?  
 83  1  1  A  83  THR  A   82  .  ?        ?     ?     ?     ?  
 84  1  1  A  84  ALA  A   83  .  ?        ?     ?     ?     ?  
 85  1  1  A  85  CYS  A   84  .  ?        1     ?     ?     ?  
 86  1  1  A  86  HIS  A   85  .  ?        ?     3     ?     1  
 87  1  1  A  87  GLU  A   86  .  ?        ?     5     ?     ?  
 88  1  1  A  88  PHE  A   87  .  ?        ?     5     ?     ?  
 89  1  1  A  89  PHE  A   88  .  ?        ?     3     ?     ?  
 90  1  2  B   3  THR  B    3  .  ?        ?     5     8     ?  
 91  1  2  B   4  LYS  B    4  .  ?        ?     1     ?     ?  
 92  1  2  B   5  ILE  B    5  .  ?        ?     5     ?     1  
 93  1  2  B   6  ASP  B    6  .  ?        ?     3     ?     1  
 94  1  2  B   7  TRP  B    7  .  ?        ?     2     ?     ?  
 95  1  2  B   8  ASN  B    8  .  ?        ?     ?     ?     ?  
 96  1  2  B   9  LYS  B    9  .  ?        ?     ?     ?     1  
 97  1  2  B  10  ILE  B   10  .  ?        ?     2     ?     ?  
 98  1  2  B  11  LEU  B   11  .  ?        ?     2     ?     ?  
 99  1  3  C   .  CA   A   92  .  ?        ?     ?     ?     ?  
100  1  3  D   .  CA   A   93  .  ?        ?     ?     ?     ?  
101  1  4  E   .  HOH  A   94  .  ?        ?     ?     ?     ?  
102  1  4  E   .  HOH  A   95  .  ?        ?     ?     ?     ?  
103  1  4  E   .  HOH  A   96  .  ?        ?     ?     ?     ?  
104  1  4  E   .  HOH  A   97  .  ?        ?     ?     ?     ?  
105  1  4  E   .  HOH  A   98  .  ?        ?     ?     ?     ?  
106  1  4  E   .  HOH  A   99  .  ?        ?     ?     ?     ?  
107  1  4  E   .  HOH  A  100  .  ?        ?     ?     ?     ?  
108  1  4  E   .  HOH  A  101  .  ?        ?     ?     ?     ?  
109  1  4  E   .  HOH  A  102  .  ?        ?     ?     ?     ?  
110  1  4  E   .  HOH  A  103  .  ?        ?     ?     ?     ?  
111  1  4  E   .  HOH  A  104  .  ?        ?     ?     ?     ?  
112  1  4  E   .  HOH  A  105  .  ?        ?     ?     ?     ?  
113  1  4  E   .  HOH  A  106  .  ?        ?     ?     ?     ?  
114  1  4  E   .  HOH  A  107  .  ?        ?     ?     ?     ?  
115  1  4  E   .  HOH  A  108  .  ?        ?     ?     ?     ?  
116  1  4  E   .  HOH  A  109  .  ?        ?     ?     ?     ?  
117  1  4  E   .  HOH  A  110  .  ?        ?     ?     ?     ?  
118  1  4  E   .  HOH  A  111  .  ?        ?     ?     ?     ?  
119  1  4  E   .  HOH  A  112  .  ?        ?     ?     ?     ?  
120  1  4  E   .  HOH  A  113  .  ?        ?     ?     ?     ?  
121  1  4  E   .  HOH  A  114  .  ?        ?     ?     ?     ?  
122  1  4  E   .  HOH  A  115  .  ?        ?     ?     ?     ?  
123  1  4  E   .  HOH  A  116  .  ?        ?     ?     ?     ?  
124  1  4  E   .  HOH  A  117  .  ?        ?     ?     ?     ?  
125  1  4  E   .  HOH  A  118  .  ?        ?     ?     ?     ?  
126  1  4  E   .  HOH  A  119  .  ?        ?     ?     ?     ?  
127  1  4  E   .  HOH  A  120  .  ?        ?     ?     ?     ?  
128  1  4  E   .  HOH  A  121  .  ?        ?     ?     ?     ?  
129  1  4  E   .  HOH  A  122  .  ?        ?     ?     ?     ?  
130  1  4  E   .  HOH  A  123  .  ?        ?     ?     ?     ?  
131  1  4  E   .  HOH  A  124  .  ?        ?     ?     ?     ?  
132  1  4  E   .  HOH  A  125  .  ?        ?     ?     ?     ?  
133  1  4  E   .  HOH  A  126  .  ?        ?     ?     ?     ?  
134  1  4  E   .  HOH  A  127  .  ?        ?     ?     ?     ?  
#
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  tmm?          ?       ?  ?           ?  ?       11  47.590     8  1.01    10  1.05  molprobity  1.000  
  2    2  p         -77.0   168.2  Favored     ?  ?        5  35.980     6  0.66     8  0.68  molprobity  1.000  
  3    3  mm-40     -72.3   -29.1  Favored     ?  ?        6  36.690     9  0.76    12  0.66  molprobity  1.000  
  4    4  OUTLIER   -69.8   -39.1  Favored     ?  ?       11  35.480     8  0.32    11  1.57  molprobity  1.000  
  5    5  mt-10     -66.1   -40.2  Favored     ?  ?        6  34.440     9  0.63    12  0.66  molprobity  1.000  
  6    6  mttt      -54.6   -40.7  Favored     ?  ?       13  34.080     9  0.50    11  0.55  molprobity  1.000  
  7    7  ?         -64.8   -42.5  Favored     ?  ?        5  33.050     5  0.24     7  0.34  molprobity  1.000  
  8    8  t         -62.1   -43.0  Favored     ?  ?        9  33.560     7  0.85    10  0.46  molprobity  1.000  
  9    9  m         -66.8   -41.1  Favored     ?  ?        9  32.930     7  0.64    10  0.67  molprobity  1.000  
 10   10  ?         -56.8   -44.9  Favored     ?  ?        5  32.340     5  0.64     7  0.24  molprobity  1.000  
 11   11  mt        -57.1   -51.5  Favored     ?  ?       11  33.250     8  0.45    11  0.72  molprobity  1.000  
 12   12  mt        -58.0   -51.9  Favored     ?  ?       11  32.360     8  0.36    11  0.57  molprobity  1.000  
 13   13  t0        -60.9   -46.0  Favored     ?  ?        4  33.880     8  0.44    11  0.84  molprobity  1.000  
 14   14  t         -73.8   -42.0  Favored     ?  ?        9  31.370     7  0.97    10  0.77  molprobity  1.000  
 15   15  t80       -53.5   -46.4  Favored     ?  ?        9  31.230    12  0.77    16  0.40  molprobity  1.000  
 16   16  m80       -73.0   -33.8  Favored     ?  ?        7  36.550    11  0.30    15  0.51  molprobity  1.000  
 17   17  mt-30     -49.4   -47.7  Favored     1  ?        8  38.040     9  0.47    12  0.43  molprobity  1.000  
 18   18  m-85      -85.1   -38.3  Favored     ?  ?        9  33.020    13  0.92    18  0.77  molprobity  1.000  
 19   19  p         -69.9   -32.5  Favored     ?  ?        5  32.880     6  0.68     8  0.74  molprobity  1.000  
 20   20  ?         -79.1    -1.0  Favored     ?  ?        3  32.370     4  0.65     5  0.69  molprobity  1.000  
 21   21  mtt180    -62.9   -43.6  Favored     ?  ?       13  35.670    11  0.50    14  0.57  molprobity  1.000  
 22   22  mt-10    -149.0   160.7  Favored     ?  ?        6  36.910     9  0.75    12  0.61  molprobity  1.000  
 23   23  ?          51.0  -140.5  Favored     ?  ?        3  33.130     4  0.47     5  0.69  molprobity  1.000  
 24   24  t0        -55.3   120.3  Favored     ?  ?        4  32.000     8  0.34    11  0.52  molprobity  1.000  
 25   25  mttm      -77.7    -7.3  Favored     ?  ?       13  35.700     9  0.36    11  0.33  molprobity  1.000  
 26   26  m-70     -106.2     3.7  Favored     ?  ?        7  38.020    11  0.26    15  0.49  molprobity  1.000  
 27   27  mttt     -134.9   149.9  Favored     ?  ?       13  34.490     9  0.47    11  0.77  molprobity  1.000  
 28   28  mt        -89.3   123.7  Favored     ?  ?       11  33.170     8  0.43    11  0.65  molprobity  1.000  
 29   29  OUTLIER   -86.0   175.1  Favored     ?  ?       13  36.210     9  0.80    11  1.01  molprobity  1.000  
 30   30  mtmt      -53.5   -46.5  Favored     ?  ?       13  32.990     9  0.70    11  0.52  molprobity  1.000  
 31   31  p         -64.7   -36.1  Favored     ?  ?        5  33.190     6  0.56     8  0.25  molprobity  1.000  
 32   32  mt-10     -67.9   -43.0  Favored     ?  ?        6  32.550     9  0.59    12  0.61  molprobity  1.000  
 33   33  OUTLIER   -62.0   -46.8  Favored     ?  ?       11  34.460     8  0.24    11  1.05  molprobity  1.000  
 34   34  tttt      -59.0   -43.6  Favored     ?  ?       13  36.730     9  0.57    11  0.63  molprobity  1.000  
 35   35  mm-40     -72.7   -33.8  Favored     ?  ?        6  36.710     9  0.60    12  0.60  molprobity  1.000  
 36   36  tt        -58.6   -53.2  Favored     ?  ?       11  34.690     8  0.68    11  0.75  molprobity  1.000  
 37   37  mt        -56.8   -51.5  Favored     ?  ?       11  34.570     8  0.44    11  0.59  molprobity  1.000  
 38   38  m120      -69.3   -33.5  Favored     1  ?        6  33.030     8  0.55    11  0.45  molprobity  1.000  
 39   39  m-20      -90.5   -32.9  Favored     ?  ?        6  32.920     8  0.55    11  0.42  molprobity  1.000  
 40   40  mm-40    -117.0   -11.9  Favored     ?  ?        6  34.140     9  0.67    12  0.78  molprobity  1.000  
 41   41  mt       -124.2    25.4  Favored     ?  ?       11  33.460     8  0.67    11  0.48  molprobity  1.000  
 42   42  p         -66.1   -20.4  Favored     ?  ?        5  32.690     6  0.79     8  0.77  molprobity  1.000  
 43   43  m80       -85.5   -13.7  Favored     ?  ?        7  33.900    11  0.46    15  0.53  molprobity  1.000  
 44   44  m-85     -112.4   -24.0  Favored     ?  ?        9  34.760    12  0.41    16  0.47  molprobity  1.000  
 45   45  mt       -135.8   146.6  Favored     ?  ?       11  34.140     8  0.42    11  0.42  molprobity  1.000  
 46   46  tt0       -74.0   135.0  Favored     ?  ?        6  39.130     9  0.45    12  0.58  molprobity  1.000  
 47   47  tt0       -42.6   131.7  Favored     ?  ?        6  32.460     9  0.34    12  0.31  molprobity  1.000  
 48   48  mt        -84.9   113.2  Favored     ?  ?       11  31.690     8  0.39    11  0.76  molprobity  1.000  
 49   49  mtpt     -119.3     9.3  Favored     ?  ?       13  31.360     9  0.36    11  0.53  molprobity  1.000  
 50   50  mp0      -133.7   135.0  Favored     ?  ?        6  35.250     9  1.16    12  0.80  molprobity  1.000  
 51   51  tp60      -49.6   -43.3  Favored     ?  ?        8  34.360     9  0.57    12  0.66  molprobity  1.000  
 52   52  pt-20     -68.2   -20.2  Favored     ?  ?        6  34.180     9  0.74    12  0.78  molprobity  1.000  
 53   53  t         -74.9   -48.7  Favored     ?  ?        9  32.250     7  0.80    10  0.55  molprobity  1.000  
 54   54  t         -42.7   -51.1  Allowed     ?  ?        9  32.910     7  0.86    10  0.89  molprobity  1.000  
 55   55  m-20      -66.8   -45.5  Favored     ?  ?        4  31.080     8  0.50    11  0.96  molprobity  1.000  
 56   56  tptt      -65.3   -39.5  Favored     ?  ?       13  35.360     9  0.38    11  0.33  molprobity  1.000  
 57   57  t         -61.9   -47.4  Favored     ?  ?        9  34.790     7  0.50    10  0.75  molprobity  1.000  
 58   58  tpp       -62.7   -41.2  Favored     ?  ?        9  34.860     8  0.65    10  0.59  molprobity  1.000  
 59   59  tt0       -58.5   -41.6  Favored     ?  ?        6  37.830     9  1.10    12  0.95  molprobity  1.000  
 60   60  m         -67.4   -48.8  Favored     ?  ?        7  36.280     7  0.57    10  0.40  molprobity  1.000  
 61   61  mt        -76.7   -26.3  Favored     ?  ?       11  33.050     8  0.67    11  1.04  molprobity  1.000  
 62   62  t0        -73.6    72.1  Allowed     ?  ?        4  33.960     8  0.66    11  0.71  molprobity  1.000  
 63   63  m         -64.3   -38.9  Favored     ?  ?        5  33.780     6  0.47     8  0.85  molprobity  1.000  
 64   64  p30       -88.9    -2.0  Favored     ?  ?        4  33.100     8  0.58    11  0.49  molprobity  1.000  
 65   65  ?          73.8    36.2  Favored     ?  ?        3  32.600     4  0.36     5  0.63  molprobity  1.000  
 66   66  p-10     -107.8     8.3  Favored     ?  ?        4  35.140     8  0.49    11  1.16  molprobity  1.000  
 67   67  ?          86.8    -4.2  Favored     ?  ?        3  34.010     4  0.19     5  0.41  molprobity  1.000  
 68   68  mt-10    -132.4   165.9  Favored     ?  ?        6  35.350     9  1.13    12  0.84  molprobity  1.000  
 69   69  t        -109.4   105.8  Favored     ?  ?        5  34.200     6  0.56     8  0.62  molprobity  1.000  
 70   70  p30       -80.5  -179.7  Favored     ?  ?        4  34.310     8  0.39    11  0.73  molprobity  1.000  
 71   71  t80       -67.8   -35.2  Favored     ?  ?        9  34.070    12  0.72    16  0.30  molprobity  1.000  
 72   72  tt0       -61.3   -46.2  Favored     ?  ?        8  37.840     9  0.50    12  0.34  molprobity  1.000  
 73   73  mt-10     -66.6   -35.8  Favored     ?  ?        6  32.770     9  0.64    12  0.53  molprobity  1.000  
 74   74  t80       -61.1   -44.2  Favored     ?  ?        9  32.270    12  0.86    16  0.35  molprobity  1.000  
 75   75  mmm       -62.6   -39.7  Favored     ?  ?        9  34.030     8  0.64    10  0.96  molprobity  1.000  
 76   76  ?         -56.2   -42.0  Favored     ?  ?        5  32.590     5  0.70     7  0.30  molprobity  1.000  
 77   77  t80       -61.7   -46.7  Favored     ?  ?        9  35.050    12  0.69    16  0.65  molprobity  1.000  
 78   78  t         -58.9   -43.5  Favored     ?  ?        9  33.810     7  0.55    10  0.39  molprobity  1.000  
 79   79  ?         -56.6   -42.8  Favored     ?  ?        5  33.320     5  0.48     7  0.55  molprobity  1.000  
 80   80  mtp       -63.0   -47.8  Favored     ?  ?        9  32.840     8  0.39    10  0.60  molprobity  1.000  
 81   81  mt        -60.1   -49.9  Favored     ?  ?       11  31.590     8  0.51    11  0.56  molprobity  1.000  
 82   82  m         -67.1   -39.9  Favored     ?  ?        7  33.000     7  0.60    10  0.61  molprobity  1.000  
 83   83  m         -59.9   -49.4  Favored     ?  ?        7  31.390     7  0.45    10  0.56  molprobity  1.000  
 84   84  ?         -65.0   -25.9  Favored     ?  ?        5  32.170     5  0.32     7  0.52  molprobity  1.000  
 85   85  m         -64.4   -32.6  Favored     ?  ?        5  35.240     6  2.48     8  1.40  molprobity  1.000  
 86   86  p-80     -120.0    96.5  Favored     ?  ?        7  37.590    11  0.32    15  1.30  molprobity  1.000  
 87   87  OUTLIER  -120.6   128.5  Favored     ?  Y        6  41.100     9  1.93    12  1.57  molprobity  1.000  
 88   88  OUTLIER   -56.6   121.2  Favored     ?  ?        9  38.750    12  0.46    16  1.33  molprobity  1.000  
 89   89  OUTLIER       ?       ?  ?           ?  ?        9  39.120    11  0.79    13  0.92  molprobity  1.000  
 90   90  t             ?       ?  ?           ?  ?        6  31.450     7  0.89    10  0.44  molprobity  0.857  
 91   91  mttp      -67.7   120.9  Favored     ?  ?       13  31.770     9  0.61    11  1.06  molprobity  0.944  
 92   92  OUTLIER  -119.7    22.0  Favored     ?  ?       11  35.280     8  0.64    11  1.59  molprobity  1.000  
 93   93  t0       -105.1  -165.2  Allowed     ?  ?        4  37.580     8  0.53    11  1.75  molprobity  1.000  
 94   94  OUTLIER  -102.9   -23.5  Favored     ?  ?       10  32.180    16  0.53    23  0.84  molprobity  1.000  
 95   95  OUTLIER   -78.1    -3.3  Favored     ?  ?        6  34.620     8  0.40    11  0.49  molprobity  1.000  
 96   96  tttt      -82.3   -48.0  Favored     ?  ?       13  35.620     9  0.64    11  2.27  molprobity  1.000  
 97   97  mm         74.3  -128.3  OUTLIER     ?  ?       11  35.230     8  1.12    11  1.69  molprobity  1.000  
 98   98  ?             ?       ?  ?           ?  ?        2  35.100     4  0.73     4  0.81  molprobity  1.000  
 99   99  ?             ?       ?  ?           ?  ?        ?  32.520     ?     ?     ?     ?  ?           1.000  
100  100  ?             ?       ?  ?           ?  ?        ?  31.480     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?       ?  ?           ?  ?        ?  36.840     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?       ?  ?           ?  ?        ?  36.320     ?     ?     ?     ?  ?           1.000  
103  103  ?             ?       ?  ?           ?  ?        ?  27.140     ?     ?     ?     ?  ?           1.000  
104  104  ?             ?       ?  ?           ?  ?        ?  42.900     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?       ?  ?           ?  ?        ?  37.190     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?       ?  ?           ?  ?        ?  36.760     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?           ?  ?        ?  35.110     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?           ?  ?        ?  29.760     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?           ?  ?        ?  32.840     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?           ?  ?        ?  40.830     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?       ?  ?           ?  ?        ?  32.630     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?           ?  ?        ?  46.920     ?     ?     ?     ?  ?           1.000  
113  113  ?             ?       ?  ?           ?  ?        ?  35.880     ?     ?     ?     ?  ?           1.000  
114  114  ?             ?       ?  ?           ?  ?        ?  43.940     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?           ?  ?        ?  50.590     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?           ?  ?        ?  45.320     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?  ?        ?  36.100     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?  ?        ?  30.360     ?     ?     ?     ?  ?           1.000  
119  119  ?             ?       ?  ?           ?  ?        ?  39.170     ?     ?     ?     ?  ?           1.000  
120  120  ?             ?       ?  ?           ?  ?        ?  44.550     ?     ?     ?     ?  ?           1.000  
121  121  ?             ?       ?  ?           ?  ?        ?  55.140     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?  ?        ?  39.720     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?  ?        ?  31.630     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?  ?        ?  36.150     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?  ?        ?  39.000     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?  ?        ?  52.400     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?  ?        ?  50.180     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?  ?        ?  34.190     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?  ?        ?  49.410     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?  ?        ?  35.740     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?  ?        ?  33.480     ?     ?     ?     ?  ?           0.500  
132  132  ?             ?       ?  ?           ?  ?        ?  39.980     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?  ?        ?  43.160     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?  ?        ?  38.270     ?     ?     ?     ?  ?           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  31  O      1  0.54  2.07  
 2  35  HG2    1  0.54  2.07  
 3  38  HD21   2  0.80  1.27  
 4  38  ND2    3  0.58  1.99  
 5  43  O      4  0.67  2.27  
 6  45  HD23   5  0.47  1.97  
 7  46  HA     6  0.77  1.65  
 8  46  N      7  0.47  2.33  
 9  48  H      2  0.80  1.27  
10  48  H      3  0.58  1.99  
11  48  HG21   8  0.45  1.98  
12  48  HG21   9  0.44  2.48  
13  54  HG22   8  0.45  1.98  
14  54  CG2    9  0.44  2.48  
15  86  O     10  0.58  2.56  
16  86  CG    10  0.58  2.56  
17  86  HB3   11  0.56  2.40  
18  87  H     12  0.82  1.82  
19  87  CD    12  0.82  1.82  
20  87  CD    13  0.71  2.43  
21  87  N     13  0.71  2.43  
22  87  HA    14  0.45  2.37  
23  88  CD2   15  0.73  2.24  
24  88  CD2   16  0.47  2.87  
25  88  CE2   17  0.62  2.35  
26  88  C     16  0.47  2.87  
27  88  C     14  0.45  2.37  
28  89  HB3   15  0.73  2.24  
29  89  HB3   17  0.62  2.35  
30  89  CE2   11  0.56  2.40  
31  90  N      4  0.67  2.27  
32  90  O     18  0.58  2.04  
33  90  O     19  0.40  2.68  
34  90  HG23  18  0.58  2.04  
35  90  CG2   19  0.40  2.68  
36  91  HE2    6  0.77  1.65  
37  92  O     20  0.92  1.65  
38  92  O     21  0.73  2.37  
39  92  HG23  20  0.92  1.65  
40  92  CG2   21  0.73  2.37  
41  92  HG22   5  0.47  1.97  
42  93  OD2    7  0.47  2.33  
43  93  OD1   22  0.47  2.67  
44  93  OD1   23  0.45  2.69  
45  94  CD2   22  0.47  2.67  
46  94  CG    23  0.45  2.69  
47  97  O     24  0.48  2.62  
48  97  HG22  25  0.41  2.35  
49  98  CB    24  0.48  2.62  
50  98  N     25  0.41  2.35  
#
loop_
_pdbx_vrpt_instance_symm_clashes.ordinal
_pdbx_vrpt_instance_symm_clashes.instance_id
_pdbx_vrpt_instance_symm_clashes.label_atom_id
_pdbx_vrpt_instance_symm_clashes.scid
_pdbx_vrpt_instance_symm_clashes.symop
_pdbx_vrpt_instance_symm_clashes.clashmag
_pdbx_vrpt_instance_symm_clashes.dist
1  90  N    0  1_555  0.40  1.80  
2  90  CA   0  3_555  0.40  1.80  
3  90  N    1  1_555  0.30  1.90  
4  90  OG1  1  3_555  0.30  1.90  
5  90  CA   2  1_555  0.16  2.04  
6  90  C    2  3_555  0.16  2.04  
7  90  CB   3  1_555  0.08  2.12  
8  90  OG1  3  3_555  0.08  2.12  
#
loop_
_pdbx_vrpt_instance_intra_plane_outliers.ordinal
_pdbx_vrpt_instance_intra_plane_outliers.instance_id
_pdbx_vrpt_instance_intra_plane_outliers.type
_pdbx_vrpt_instance_intra_plane_outliers.omega
1  86  peptide    37.65  
2  92  peptide  -137.02  
3  93  peptide   -59.08  
4  96  peptide    33.56  
#
_pdbx_vrpt_instance_intra_bond_outliers.ordinal      1
_pdbx_vrpt_instance_intra_bond_outliers.instance_id  85
_pdbx_vrpt_instance_intra_bond_outliers.atom_1       CB
_pdbx_vrpt_instance_intra_bond_outliers.atom_2       SG
_pdbx_vrpt_instance_intra_bond_outliers.obs          1.719
_pdbx_vrpt_instance_intra_bond_outliers.mean         1.812
_pdbx_vrpt_instance_intra_bond_outliers.stdev        0.016
_pdbx_vrpt_instance_intra_bond_outliers.Z            -5.83
#
loop_
_pdbx_vrpt_model_instance_density.ordinal
_pdbx_vrpt_model_instance_density.instance_id
_pdbx_vrpt_model_instance_density.natoms_eds
_pdbx_vrpt_model_instance_density.RSRCC
_pdbx_vrpt_model_instance_density.RSR
_pdbx_vrpt_model_instance_density.RSRZ
  1    1   8  0.805  0.339   3.972  
  2    2   6  0.954  0.116  -0.104  
  3    3   9  0.949  0.161   0.065  
  4    4   8  0.954  0.117  -0.232  
  5    5   9  0.963  0.109  -0.641  
  6    6   9  0.958  0.163   0.015  
  7    7   5  0.972  0.113  -0.058  
  8    8   7  0.963  0.098  -0.518  
  9    9   7  0.954  0.124   0.006  
 10   10   5  0.957  0.116  -0.002  
 11   11   8  0.961  0.129   0.010  
 12   12   8  0.955  0.121  -0.145  
 13   13   8  0.843  0.133   0.008  
 14   14   7  0.949  0.141   0.349  
 15   15  11  0.931  0.152   0.655  
 16   16  10  0.885  0.177   0.886  
 17   17   9  0.896  0.141  -0.031  
 18   18  12  0.960  0.093  -0.522  
 19   19   6  0.949  0.088  -0.583  
 20   20   4  0.962  0.128   0.214  
 21   21  11  0.936  0.127  -0.301  
 22   22   9  0.879  0.148  -0.111  
 23   23   4  0.957  0.089  -0.444  
 24   24   8  0.911  0.109  -0.358  
 25   25   9  0.948  0.151  -0.149  
 26   26  10  0.902  0.135   0.183  
 27   27   9  0.929  0.114  -0.656  
 28   28   8  0.935  0.133   0.091  
 29   29   9  0.955  0.103  -0.807  
 30   30   9  0.934  0.120  -0.574  
 31   31   6  0.966  0.076  -0.788  
 32   32   9  0.934  0.099  -0.777  
 33   33   8  0.946  0.117  -0.232  
 34   34   9  0.947  0.183   0.289  
 35   35   9  0.924  0.129  -0.370  
 36   36   8  0.962  0.122  -0.131  
 37   37   8  0.964  0.124  -0.084  
 38   38   8  0.953  0.126  -0.048  
 39   39   8  0.931  0.116  -0.206  
 40   40   9  0.944  0.117  -0.533  
 41   41   8  0.956  0.112  -0.333  
 42   42   6  0.960  0.092  -0.515  
 43   43  10  0.912  0.139   0.250  
 44   44  11  0.923  0.166   0.944  
 45   45   8  0.962  0.116  -0.252  
 46   46   9  0.904  0.198   0.568  
 47   47   9  0.946  0.093  -0.859  
 48   48   8  0.956  0.123  -0.105  
 49   49   9  0.880  0.153  -0.122  
 50   50   9  0.832  0.220   0.867  
 51   51   9  0.961  0.099  -0.654  
 52   52   9  0.873  0.171   0.201  
 53   53   7  0.961  0.129   0.107  
 54   54   7  0.954  0.146   0.450  
 55   55   8  0.948  0.114  -0.282  
 56   56   9  0.942  0.162   0.001  
 57   57   7  0.956  0.153   0.591  
 58   58   8  0.964  0.135   0.229  
 59   59   9  0.885  0.175   0.255  
 60   60   7  0.953  0.107  -0.231  
 61   61   8  0.942  0.113  -0.312  
 62   62   8  0.948  0.132  -0.008  
 63   63   6  0.941  0.105  -0.292  
 64   64   8  0.948  0.074  -0.890  
 65   65   4  0.925  0.127   0.197  
 66   66   8  0.931  0.112  -0.312  
 67   67   4  0.969  0.095  -0.342  
 68   68   9  0.921  0.117  -0.533  
 69   69   6  0.955  0.080  -0.581  
 70   70   8  0.927  0.107  -0.388  
 71   71  11  0.944  0.101  -0.399  
 72   72   9  0.912  0.160   0.251  
 73   73   9  0.952  0.067  -1.212  
 74   74  11  0.940  0.108  -0.254  
 75   75   8  0.970  0.101  -0.394  
 76   76   5  0.984  0.057  -1.099  
 77   77  11  0.965  0.120  -0.006  
 78   78   7  0.952  0.116  -0.155  
 79   79   5  0.953  0.083  -0.615  
 80   80   8  0.962  0.091  -0.578  
 81   81   8  0.933  0.159   0.633  
 82   82   7  0.949  0.109  -0.194  
 83   83   7  0.960  0.099  -0.379  
 84   84   5  0.953  0.154   0.704  
 85   85   6  0.929  0.115   0.220  
 86   86  10  0.857  0.188   1.070  
 87   87   9  0.760  0.260   1.410  
 88   88  11  0.769  0.250   2.680  
 89   89  11  0.685  0.219   2.039  
 90   90   7  0.931  0.241   2.246  
 91   91   9  0.925  0.248   1.179  
 92   92   8  0.892  0.243   2.355  
 93   93   8  0.609  0.306   2.641  
 94   94  14  0.871  0.161   1.071  
 95   95   8  0.842  0.213   1.333  
 96   96   9  0.765  0.332   2.330  
 97   97   8  0.705  0.254   2.580  
 98   98   5  0.695  0.295   3.357  
 99   99   1  0.975  0.056       ?  
100  100   1  0.993  0.053       ?  
101  101   1  0.941  0.086       ?  
102  102   1  0.830  0.193       ?  
103  103   1  0.988  0.186       ?  
104  104   1  0.904  0.104       ?  
105  105   1  0.896  0.151       ?  
106  106   1  0.901  0.159       ?  
107  107   1  0.967  0.188       ?  
108  108   1  0.980  0.214       ?  
109  109   1  0.964  0.198       ?  
110  110   1  0.682  0.301       ?  
111  111   1  0.972  0.061       ?  
112  112   1  0.967  0.065       ?  
113  113   1  0.969  0.103       ?  
114  114   1  0.930  0.132       ?  
115  115   1  0.797  0.164       ?  
116  116   1  0.869  0.176       ?  
117  117   1  0.928  0.223       ?  
118  118   1  0.960  0.267       ?  
119  119   1  0.911  0.200       ?  
120  120   1  0.919  0.347       ?  
121  121   1  0.746  0.221       ?  
122  122   1  0.937  0.130       ?  
123  123   1  0.917  0.360       ?  
124  124   1  0.974  0.365       ?  
125  125   1  0.927  0.123       ?  
126  126   1  0.794  0.219       ?  
127  127   1  0.839  0.151       ?  
128  128   1  0.884  0.376       ?  
129  129   1  0.927  0.248       ?  
130  130   1  0.964  0.081       ?  
131  131   1  0.976  0.712       ?  
132  132   1  0.902  0.268       ?  
133  133   1  0.863  0.311       ?  
134  134   1  0.955  0.172       ?  
#
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        unknown                                                               Y  
3  eds          2.35                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
