data_4F16

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4F16
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4F16
_pdbx_vrpt_summary.PDB_deposition_date         2012-05-06
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2023-09-13
_pdbx_vrpt_summary.report_creation_date        2023-09-07:10:37
_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  "Spectrin alpha chain, brain"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  1.93  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   86.57  141614     ?     ?  
 2  2  1   82.70    1023  1.94  1.94  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    1007  1.94  1.94  
 5  1  3   56.63  138945     ?     ?  
 6  2  3   44.89    1007  1.94  1.94  
 7  1  4    3.64  127900     ?     ?  
 8  2  4    5.84    4250  1.92  1.96  
 9  1  5   36.52  130704     ?     ?  
10  2  5   22.83    4310  1.92  1.96  
#
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   56.63  
4  6  3  A  1  1  A   44.89  
5  7  4  A  1  1  A    3.64  
6  8  4  A  1  1  A    5.84  
#
_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      0.59
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.40
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   481
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  648
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.92
_pdbx_vrpt_summary_geometry.clashscore                     2.10
_pdbx_vrpt_summary_geometry.num_H_reduce                   480
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 481
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.40
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                648
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.59
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 110.995
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            47.620
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         31.982
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.20(1.93A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5402
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.339
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.375
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.484
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.319
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.941
_pdbx_vrpt_summary_diffraction.DCC_R                     0.23
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.93
_pdbx_vrpt_summary_diffraction.EDS_res_low               19.51
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[48.564,24.032,30.248,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.716
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.24% 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         97.40
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      242
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.48
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     12.28
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.93
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        19.51
_pdbx_vrpt_summary_diffraction.PDB_R                     0.21
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.25
#
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   6  LYS  A    6  .  ?        ?     1  
  2  1  1  A   7  GLU  A    7  .  ?        ?     2  
  3  1  1  A   8  LEU  A    8  .  ?        ?     ?  
  4  1  1  A   9  VAL  A    9  .  ?        ?     ?  
  5  1  1  A  10  LEU  A   10  .  ?        ?     ?  
  6  1  1  A  11  ALA  A   11  .  ?        ?     ?  
  7  1  1  A  12  LEU  A   12  .  ?        ?     ?  
  8  1  1  A  13  TYR  A   13  .  ?        ?     ?  
  9  1  1  A  14  ASP  A   14  .  ?        ?     ?  
 10  1  1  A  15  TYR  A   15  .  ?        ?     ?  
 11  1  1  A  16  GLN  A   16  .  ?        ?     ?  
 12  1  1  A  17  GLU  A   17  .  ?        ?     ?  
 13  1  1  A  18  LYS  A   18  .  ?        ?     ?  
 14  1  1  A  19  SER  A   19  .  ?        ?     ?  
 15  1  1  A  20  PRO  A   20  .  ?        ?     ?  
 16  1  1  A  21  ARG  A   21  .  ?        ?     ?  
 17  1  1  A  22  GLU  A   22  .  ?        ?     ?  
 18  1  1  A  23  VAL  A   23  .  ?        ?     ?  
 19  1  1  A  24  THR  A   24  .  ?        ?     ?  
 20  1  1  A  25  MET  A   25  .  ?        ?     ?  
 21  1  1  A  26  LYS  A   26  .  ?        ?     ?  
 22  1  1  A  27  LYS  A   27  .  ?        ?     ?  
 23  1  1  A  28  GLY  A   28  .  ?        ?     ?  
 24  1  1  A  29  ASP  A   29  .  ?        ?     ?  
 25  1  1  A  30  ILE  A   30  .  ?        ?     ?  
 26  1  1  A  31  LEU  A   31  .  ?        ?     ?  
 27  1  1  A  32  THR  A   32  .  ?        ?     ?  
 28  1  1  A  33  LEU  A   33  .  ?        ?     1  
 29  1  1  A  34  LEU  A   34  .  ?        ?     ?  
 30  1  1  A  35  ASN  A   35  .  ?        ?     ?  
 31  1  1  A  36  SER  A   36  .  ?        ?     ?  
 32  1  1  A  37  THR  A   37  .  ?        ?     ?  
 33  1  1  A  38  ASN  A   38  .  ?        ?     ?  
 34  1  1  A  39  LYS  A   39  .  ?        ?     ?  
 35  1  1  A  40  ASP  A   40  .  ?        ?     ?  
 36  1  1  A  41  TRP  A   41  .  ?        ?     ?  
 37  1  1  A  42  TRP  A   42  .  ?        ?     ?  
 38  1  1  A  43  LYS  A   43  .  ?        ?     ?  
 39  1  1  A  44  VAL  A   44  .  ?        ?     ?  
 40  1  1  A  45  GLU  A   45  .  ?        ?     ?  
 41  1  1  A  46  VAL  A   46  .  ?        ?     ?  
 42  1  1  A  47  ASN  A   47  .  ?        ?     ?  
 43  1  1  A  48  ASP  A   48  .  ?        1     ?  
 44  1  1  A  49  ARG  A   49  .  ?        ?     ?  
 45  1  1  A  50  GLN  A   50  .  ?        ?     ?  
 46  1  1  A  51  GLY  A   51  .  ?        ?     ?  
 47  1  1  A  52  PHE  A   52  .  ?        ?     ?  
 48  1  1  A  53  VAL  A   53  .  ?        ?     ?  
 49  1  1  A  54  PRO  A   54  .  ?        ?     ?  
 50  1  1  A  55  ALA  A   55  .  ?        ?     ?  
 51  1  1  A  56  ALA  A   56  .  ?        ?     ?  
 52  1  1  A  57  TYR  A   57  .  ?        ?     ?  
 53  1  1  A  58  VAL  A   58  .  ?        ?     ?  
 54  1  1  A  59  LYS  A   59  .  ?        ?     ?  
 55  1  1  A  60  LYS  A   60  .  ?        ?     ?  
 56  1  1  A  61  LEU  A   61  .  ?        ?     ?  
 57  1  1  A  62  ASP  A   62  .  ?        ?     ?  
 58  1  2  B   .  HOH  A  101  .  ?        ?     ?  
 59  1  2  B   .  HOH  A  102  .  ?        ?     ?  
 60  1  2  B   .  HOH  A  103  .  ?        ?     ?  
 61  1  2  B   .  HOH  A  104  .  ?        ?     ?  
 62  1  2  B   .  HOH  A  105  .  ?        ?     ?  
 63  1  2  B   .  HOH  A  106  .  ?        ?     ?  
 64  1  2  B   .  HOH  A  107  .  ?        ?     ?  
 65  1  2  B   .  HOH  A  108  .  ?        ?     ?  
 66  1  2  B   .  HOH  A  109  .  ?        ?     ?  
 67  1  2  B   .  HOH  A  110  .  ?        ?     ?  
 68  1  2  B   .  HOH  A  111  .  ?        ?     ?  
 69  1  2  B   .  HOH  A  112  .  ?        ?     ?  
 70  1  2  B   .  HOH  A  113  .  ?        ?     ?  
 71  1  2  B   .  HOH  A  114  .  ?        ?     ?  
 72  1  2  B   .  HOH  A  115  .  ?        ?     ?  
 73  1  2  B   .  HOH  A  116  .  ?        ?     ?  
 74  1  2  B   .  HOH  A  117  .  ?        ?     ?  
 75  1  2  B   .  HOH  A  118  .  ?        ?     ?  
 76  1  2  B   .  HOH  A  119  .  ?        ?     ?  
 77  1  2  B   .  HOH  A  120  .  ?        ?     ?  
 78  1  2  B   .  HOH  A  121  .  ?        ?     ?  
 79  1  2  B   .  HOH  A  122  .  ?        ?     ?  
 80  1  2  B   .  HOH  A  123  .  ?        ?     ?  
 81  1  2  B   .  HOH  A  124  .  ?        ?     ?  
 82  1  2  B   .  HOH  A  125  .  ?        ?     ?  
 83  1  2  B   .  HOH  A  126  .  ?        ?     ?  
 84  1  2  B   .  HOH  A  127  .  ?        ?     ?  
 85  1  2  B   .  HOH  A  128  .  ?        ?     ?  
 86  1  2  B   .  HOH  A  129  .  ?        ?     ?  
 87  1  2  B   .  HOH  A  130  .  ?        ?     ?  
 88  1  2  B   .  HOH  A  131  .  ?        ?     ?  
 89  1  2  B   .  HOH  A  132  .  ?        ?     ?  
 90  1  2  B   .  HOH  A  133  .  ?        ?     ?  
 91  1  2  B   .  HOH  A  134  .  ?        ?     ?  
 92  1  2  B   .  HOH  A  135  .  ?        ?     ?  
 93  1  2  B   .  HOH  A  136  .  ?        ?     ?  
 94  1  2  B   .  HOH  A  137  .  ?        ?     ?  
 95  1  2  B   .  HOH  A  138  .  ?        ?     ?  
 96  1  2  B   .  HOH  A  139  .  ?        ?     ?  
 97  1  2  B   .  HOH  A  140  .  ?        ?     ?  
 98  1  2  B   .  HOH  A  141  .  ?        ?     ?  
 99  1  2  B   .  HOH  A  142  .  ?        ?     ?  
100  1  2  B   .  HOH  A  143  .  ?        ?     ?  
101  1  2  B   .  HOH  A  144  .  ?        ?     ?  
102  1  2  B   .  HOH  A  145  .  ?        ?     ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  ttmt          ?       ?  ?          12  56.630     9  0.41    11  0.29  molprobity  1.000  
  2    2  mt-10     -95.9   143.8  Favored     6  39.770     9  0.29    12  0.59  molprobity  0.600  
  3    3  mt       -112.2   146.9  Favored    11  35.070     8  0.31    11  0.44  molprobity  1.000  
  4    4  m        -129.3   154.1  Favored     9  32.160     7  0.31    10  0.71  molprobity  1.000  
  5    5  tp       -102.0   133.2  Favored    11  33.690     8  0.41    11  0.56  molprobity  1.000  
  6    6  ?         -76.3   119.8  Favored     5  32.890     5  0.33     7  0.32  molprobity  1.000  
  7    7  mt        -83.6   -26.1  Favored    11  35.640     8  0.31    11  0.40  molprobity  1.000  
  8    8  m-85     -142.4   159.9  Favored     9  39.930    13  0.37    18  0.48  molprobity  1.000  
  9    9  m-20      -59.1   148.0  Favored     4  37.360     8  0.33    11  0.61  molprobity  1.000  
 10   10  t80      -146.9   119.5  Favored     9  36.020    13  0.43    18  0.57  molprobity  1.000  
 11   11  tp60      -96.3   125.2  Favored     8  45.370     9  0.45    12  0.58  molprobity  1.000  
 12   12  pt-20     -54.7   144.2  Favored     6  43.680     9  0.22    12  0.25  molprobity  1.000  
 13   13  mttt     -121.7    -1.4  Favored    13  45.100     9  0.32    11  0.46  molprobity  1.000  
 14   14  p        -152.9   160.8  Favored     5  39.410     6  0.39     9  0.79  molprobity  1.000  
 15   15  Cg_exo    -55.8   -38.0  Favored     7  43.530     8  0.31    11  0.46  molprobity  1.000  
 16   16  ptt180    -79.8    -5.2  Favored    13  40.390    11  0.38    14  0.80  molprobity  1.000  
 17   17  mt-10     -92.0   162.4  Favored     6  33.230     9  0.32    12  0.37  molprobity  1.000  
 18   18  m        -128.8   160.8  Favored     9  34.900     7  0.63    10  0.73  molprobity  1.000  
 19   19  m         -99.3   141.8  Favored     7  36.560     7  0.43    10  0.49  molprobity  1.000  
 20   20  ptt?     -139.3   160.0  Favored     9  33.660     8  0.33    10  0.40  molprobity  1.000  
 21   21  mttm     -107.8   147.0  Favored    13  42.740     9  0.34    11  0.49  molprobity  1.000  
 22   22  tttt      -51.2   133.0  Favored    13  41.500     9  0.33    11  0.54  molprobity  1.000  
 23   23  ?          98.0   -19.4  Favored     3  35.510     4  0.25     5  0.16  molprobity  1.000  
 24   24  m-20      -58.8   142.4  Favored     4  34.180     8  0.29    11  0.61  molprobity  1.000  
 25   25  mm       -104.1   111.2  Favored    11  29.850     8  0.28    11  0.57  molprobity  1.000  
 26   26  mt       -107.6   144.1  Favored    11  31.730     8  0.31    11  0.36  molprobity  1.000  
 27   27  m         -82.2   129.0  Favored     7  31.950     7  0.35    10  0.68  molprobity  1.000  
 28   28  tp        -91.0   123.3  Favored    11  31.220     8  0.38    11  0.52  molprobity  1.000  
 29   29  mt        -98.8   -39.8  Favored    11  32.860     8  0.23    11  0.67  molprobity  1.000  
 30   30  t-20     -155.1   122.7  Favored     6  28.930     8  0.48    11  0.39  molprobity  1.000  
 31   31  p        -124.2    28.4  Favored     5  30.170     6  0.30     8  0.19  molprobity  1.000  
 32   32  p         -72.8   -24.8  Favored     7  30.610     7  0.37    10  0.63  molprobity  1.000  
 33   33  t-20      -90.7   134.8  Favored     6  32.210     8  0.32    11  0.48  molprobity  1.000  
 34   34  pttp      -74.8   -23.8  Favored    13  40.750     9  0.42    11  0.41  molprobity  1.000  
 35   35  m-20      -95.8   -32.6  Favored     4  36.900     8  0.50    11  0.81  molprobity  1.000  
 36   36  m95      -132.1   123.3  Favored    10  31.640    16  0.36    23  0.34  molprobity  1.000  
 37   37  m0       -109.7   145.3  Favored    10  30.240    16  0.50    23  0.39  molprobity  1.000  
 38   38  tttt      -91.2   122.9  Favored    13  33.380     9  0.37    11  0.50  molprobity  1.000  
 39   39  m        -130.8   163.2  Favored     9  29.380     7  0.47    10  0.67  molprobity  1.000  
 40   40  tt0      -108.6   120.6  Favored     6  44.600     9  0.32    12  0.40  molprobity  1.000  
 41   41  t        -115.7   113.4  Favored     9  45.300     7  0.33    10  0.71  molprobity  1.000  
 42   42  OUTLIER    43.0  -106.0  Allowed     6  65.100     8  0.62    11  0.50  molprobity  1.000  
 43   43  m-20     -108.8    24.6  Favored     4  40.850     8  0.19    11  1.75  molprobity  1.000  
 44   44  mtp180   -131.1   154.3  Favored    13  56.860    11  0.46    14  0.56  molprobity  1.000  
 45   45  mt-30    -127.8   148.1  Favored     8  51.470     9  0.36    12  0.66  molprobity  1.000  
 46   46  ?         164.3  -169.5  Favored     3  34.080     4  0.22     5  0.34  molprobity  1.000  
 47   47  m-85      -95.3   138.3  Favored     9  29.060    12  0.53    16  0.47  molprobity  1.000  
 48   48  m        -128.4   160.3  Favored     9  26.120     7  0.52    11  0.81  molprobity  1.000  
 49   49  Cg_exo    -63.6   132.0  Favored     7  28.170     8  0.39    11  0.61  molprobity  1.000  
 50   50  ?         -56.4   -38.6  Favored     5  30.730     5  0.36     7  0.36  molprobity  1.000  
 51   51  ?         -59.0   -23.2  Favored     5  32.560     5  0.40     7  0.59  molprobity  1.000  
 52   52  m-30      -90.0    -4.1  Favored     9  36.120    13  0.43    18  0.62  molprobity  1.000  
 53   53  m        -123.8   161.9  Favored     9  34.780     7  0.42    10  0.71  molprobity  1.000  
 54   54  tttp     -133.0   120.2  Favored    13  47.180     9  0.46    11  0.53  molprobity  1.000  
 55   55  mtmm      -52.8   134.5  Favored    13  50.630     9  0.80    11  0.74  molprobity  1.000  
 56   56  mt        -96.7   110.0  Favored    11  49.330     8  0.38    11  0.43  molprobity  1.000  
 57   57  m-20          ?       ?  ?           4  70.770     8  0.54     8  0.49  molprobity  1.000  
 58   58  ?             ?       ?  ?           ?  24.330     ?     ?     ?     ?  ?           1.000  
 59   59  ?             ?       ?  ?           ?  29.080     ?     ?     ?     ?  ?           1.000  
 60   60  ?             ?       ?  ?           ?  32.920     ?     ?     ?     ?  ?           1.000  
 61   61  ?             ?       ?  ?           ?  39.470     ?     ?     ?     ?  ?           1.000  
 62   62  ?             ?       ?  ?           ?  42.870     ?     ?     ?     ?  ?           1.000  
 63   63  ?             ?       ?  ?           ?  34.740     ?     ?     ?     ?  ?           1.000  
 64   64  ?             ?       ?  ?           ?  46.450     ?     ?     ?     ?  ?           1.000  
 65   65  ?             ?       ?  ?           ?  33.730     ?     ?     ?     ?  ?           1.000  
 66   66  ?             ?       ?  ?           ?  48.250     ?     ?     ?     ?  ?           1.000  
 67   67  ?             ?       ?  ?           ?  45.160     ?     ?     ?     ?  ?           1.000  
 68   68  ?             ?       ?  ?           ?  38.870     ?     ?     ?     ?  ?           1.000  
 69   69  ?             ?       ?  ?           ?  42.060     ?     ?     ?     ?  ?           1.000  
 70   70  ?             ?       ?  ?           ?  39.280     ?     ?     ?     ?  ?           1.000  
 71   71  ?             ?       ?  ?           ?  46.300     ?     ?     ?     ?  ?           1.000  
 72   72  ?             ?       ?  ?           ?  41.870     ?     ?     ?     ?  ?           1.000  
 73   73  ?             ?       ?  ?           ?  39.490     ?     ?     ?     ?  ?           1.000  
 74   74  ?             ?       ?  ?           ?  42.030     ?     ?     ?     ?  ?           1.000  
 75   75  ?             ?       ?  ?           ?  37.040     ?     ?     ?     ?  ?           1.000  
 76   76  ?             ?       ?  ?           ?  36.170     ?     ?     ?     ?  ?           1.000  
 77   77  ?             ?       ?  ?           ?  46.780     ?     ?     ?     ?  ?           1.000  
 78   78  ?             ?       ?  ?           ?  49.770     ?     ?     ?     ?  ?           1.000  
 79   79  ?             ?       ?  ?           ?  49.330     ?     ?     ?     ?  ?           1.000  
 80   80  ?             ?       ?  ?           ?  43.200     ?     ?     ?     ?  ?           1.000  
 81   81  ?             ?       ?  ?           ?  41.880     ?     ?     ?     ?  ?           1.000  
 82   82  ?             ?       ?  ?           ?  42.710     ?     ?     ?     ?  ?           1.000  
 83   83  ?             ?       ?  ?           ?  40.360     ?     ?     ?     ?  ?           1.000  
 84   84  ?             ?       ?  ?           ?  43.220     ?     ?     ?     ?  ?           1.000  
 85   85  ?             ?       ?  ?           ?  50.900     ?     ?     ?     ?  ?           1.000  
 86   86  ?             ?       ?  ?           ?  42.210     ?     ?     ?     ?  ?           1.000  
 87   87  ?             ?       ?  ?           ?  42.040     ?     ?     ?     ?  ?           1.000  
 88   88  ?             ?       ?  ?           ?  41.740     ?     ?     ?     ?  ?           1.000  
 89   89  ?             ?       ?  ?           ?  50.380     ?     ?     ?     ?  ?           1.000  
 90   90  ?             ?       ?  ?           ?  47.780     ?     ?     ?     ?  ?           1.000  
 91   91  ?             ?       ?  ?           ?  45.750     ?     ?     ?     ?  ?           1.000  
 92   92  ?             ?       ?  ?           ?  47.340     ?     ?     ?     ?  ?           1.000  
 93   93  ?             ?       ?  ?           ?  56.810     ?     ?     ?     ?  ?           1.000  
 94   94  ?             ?       ?  ?           ?  48.550     ?     ?     ?     ?  ?           1.000  
 95   95  ?             ?       ?  ?           ?  46.060     ?     ?     ?     ?  ?           1.000  
 96   96  ?             ?       ?  ?           ?  40.510     ?     ?     ?     ?  ?           1.000  
 97   97  ?             ?       ?  ?           ?  47.890     ?     ?     ?     ?  ?           1.000  
 98   98  ?             ?       ?  ?           ?  47.160     ?     ?     ?     ?  ?           1.000  
 99   99  ?             ?       ?  ?           ?  54.710     ?     ?     ?     ?  ?           1.000  
100  100  ?             ?       ?  ?           ?  48.070     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?       ?  ?           ?  55.180     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?       ?  ?           ?  51.040     ?     ?     ?     ?  ?           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   1  HG2   1  0.40  1.86  
2   2  OE1   2  0.79  1.81  
3   2  H     1  0.40  1.86  
4  28  HD23  2  0.79  1.81  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  43
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       CB
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       CG
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       OD2
_pdbx_vrpt_instance_intra_angle_outliers.obs          122.949
_pdbx_vrpt_instance_intra_angle_outliers.mean         118.300
_pdbx_vrpt_instance_intra_angle_outliers.stdev        0.900
_pdbx_vrpt_instance_intra_angle_outliers.Z            5.17
#
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   9   0.821  0.291   2.109  
  2    2   9   0.916  0.177   0.504  
  3    3   8   0.941  0.130   0.398  
  4    4   7   0.949  0.186   1.729  
  5    5   8   0.953  0.116   0.085  
  6    6   5   0.928  0.130   0.570  
  7    7   8   0.975  0.081  -0.698  
  8    8  12   0.926  0.079  -0.548  
  9    9   8   0.914  0.112  -0.110  
 10   10  12   0.962  0.105   0.048  
 11   11   9   0.844  0.219   1.405  
 12   12   9   0.922  0.145   0.052  
 13   13   9   0.948  0.162   0.231  
 14   14   6   0.975  0.063  -0.826  
 15   15   7   0.954  0.081  -0.455  
 16   16  11   0.930  0.111  -0.319  
 17   17   9   0.948  0.112  -0.414  
 18   18   7   0.919  0.174   1.462  
 19   19   7   0.953  0.104  -0.029  
 20   20   8   0.961  0.196   1.729  
 21   21   9   0.899  0.145  -0.016  
 22   22   9   0.885  0.155   0.130  
 23   23   4   0.975  0.076  -0.466  
 24   24   8   0.952  0.095  -0.381  
 25   25   8   0.938  0.211   2.260  
 26   26   8   0.961  0.169   1.271  
 27   27   7   0.954  0.122   0.323  
 28   28   8   0.892  0.149   0.823  
 29   29   8   0.960  0.125   0.286  
 30   30   8   0.960  0.080  -0.575  
 31   31   6   0.967  0.064  -0.808  
 32   32   7   0.971  0.105  -0.010  
 33   33   8   0.959  0.092  -0.376  
 34   34   9   0.897  0.125  -0.307  
 35   35   8   0.908  0.108  -0.174  
 36   36  14   0.927  0.115   0.383  
 37   37  14   0.954  0.124   0.609  
 38   38   9   0.939  0.120  -0.380  
 39   39   7   0.987  0.156   1.062  
 40   40   9   0.840  0.186   0.631  
 41   41   7   0.929  0.119   0.240  
 42   42   8   0.522  0.384   4.459  
 43   43   8  -0.223  0.497   6.030  
 44   44  11   0.730  0.290   2.452  
 45   45   9   0.775  0.191   0.970  
 46   46   4   0.959  0.171   1.230  
 47   47  11   0.966  0.150   1.042  
 48   48   7   0.974  0.234   2.796  
 49   49   7   0.974  0.131   0.481  
 50   50   5   0.973  0.123   0.428  
 51   51   5   0.975  0.070  -0.652  
 52   52  12   0.960  0.105   0.048  
 53   53   7   0.928  0.175   1.484  
 54   54   9   0.910  0.109  -0.540  
 55   55   9   0.820  0.191   0.654  
 56   56   8   0.817  0.189   1.718  
 57   57   9   0.583  0.409   4.627  
 58   58   1   0.974  0.257       ?  
 59   59   1   0.973  0.154       ?  
 60   60   1   0.961  0.081       ?  
 61   61   1   0.812  0.178       ?  
 62   62   1   0.781  0.184       ?  
 63   63   1   0.912  0.138       ?  
 64   64   1   0.895  0.160       ?  
 65   65   1   0.968  0.236       ?  
 66   66   1   0.770  0.621       ?  
 67   67   1   0.920  0.124       ?  
 68   68   1   0.928  0.136       ?  
 69   69   1   0.851  0.219       ?  
 70   70   1   0.947  0.104       ?  
 71   71   1   0.942  0.092       ?  
 72   72   1   0.870  0.236       ?  
 73   73   1   0.863  0.296       ?  
 74   74   1   0.950  0.170       ?  
 75   75   1   0.901  0.150       ?  
 76   76   1   0.830  0.269       ?  
 77   77   1   0.920  0.129       ?  
 78   78   1   0.689  0.184       ?  
 79   79   1   0.849  0.405       ?  
 80   80   1   0.751  0.228       ?  
 81   81   1   0.949  0.148       ?  
 82   82   1   0.848  0.204       ?  
 83   83   1   0.934  0.913       ?  
 84   84   1   0.848  0.163       ?  
 85   85   1   0.591  0.436       ?  
 86   86   1   0.859  0.162       ?  
 87   87   1   0.825  0.276       ?  
 88   88   1   0.928  0.407       ?  
 89   89   1   0.551  0.149       ?  
 90   90   1   0.955  0.101       ?  
 91   91   1   0.877  0.147       ?  
 92   92   1   0.678  0.186       ?  
 93   93   1   0.741  0.264       ?  
 94   94   1   0.834  0.149       ?  
 95   95   1   0.835  0.106       ?  
 96   96   1   0.953  0.150       ?  
 97   97   1   0.924  0.095       ?  
 98   98   1   0.815  0.279       ?  
 99   99   1   0.876  0.135       ?  
100  100   1   0.932  0.155       ?  
101  101   1   0.565  0.571       ?  
102  102   1   0.682  0.349       ?  
#
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  
##
