data_4CIX

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   4CIX       
PDBE  EBI-59114  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4CIX
_pdbx_vrpt_summary.PDB_deposition_date         2013-12-17
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-12-20
_pdbx_vrpt_summary.report_creation_date        2023-12-17:04:00
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,buster-report,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   Y
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      "3-DEHYDROQUINATE DEHYDRATASE"  
2  non-polymer  "(1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid"  
3  non-polymer  "SULFATE 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  2.9  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   66.84  141614     ?     ?  
 2  2  1   85.17    2172  2.90  2.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    2115  2.90  2.90  
 5  1  3   75.87  138945     ?     ?  
 6  2  3   92.44    2117  2.90  2.90  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    1906  2.90  2.90  
 9  1  5   93.80  130704     ?     ?  
10  2  5   99.84    1957  2.90  2.90  
#
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   75.87  
4  6  3  A  1  1  A   92.44  
5  7  4  A  1  1  A  100.00  
6  8  4  A  1  1  A  100.00  
#
_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      0.67
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.47
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1020
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1387
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.96
_pdbx_vrpt_summary_geometry.clashscore                     3.86
_pdbx_vrpt_summary_geometry.num_H_reduce                   1036
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1020
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.47
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1387
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.67
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 140.156
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            19.969
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         31.767
_pdbx_vrpt_summary_diffraction.I_over_sigma              4.35(2.90A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        3767
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.137
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.346
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.464
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.292
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.938
_pdbx_vrpt_summary_diffraction.twin_fraction             k,h,-l:0.096
_pdbx_vrpt_summary_diffraction.DCC_R                     0.16
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.18
_pdbx_vrpt_summary_diffraction.EDS_R                     0.16
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.90
_pdbx_vrpt_summary_diffraction.EDS_res_low               38.10
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[31.767,31.767,31.767,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.000
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 3.99% 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         98.87
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      168
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.46
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        38.13
_pdbx_vrpt_summary_diffraction.PDB_R                     0.15
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.19
#
loop_
_pdbx_vrpt_model_instance.id
_pdbx_vrpt_model_instance.PDB_model_num
_pdbx_vrpt_model_instance.entity_id
_pdbx_vrpt_model_instance.label_asym_id
_pdbx_vrpt_model_instance.label_seq_id
_pdbx_vrpt_model_instance.label_comp_id
_pdbx_vrpt_model_instance.auth_asym_id
_pdbx_vrpt_model_instance.auth_seq_id
_pdbx_vrpt_model_instance.label_alt_id
_pdbx_vrpt_model_instance.PDB_ins_code
_pdbx_vrpt_model_instance.count_clashes
_pdbx_vrpt_model_instance.count_mogul_bond_outliers
_pdbx_vrpt_model_instance.count_mogul_angle_outliers
_pdbx_vrpt_model_instance.count_mogul_torsion_outliers
  1  1  1  A    3  LEU  A     3  .  ?        ?     ?     ?     ?  
  2  1  1  A    4  ILE  A     4  .  ?        ?     ?     ?     ?  
  3  1  1  A    5  VAL  A     5  .  ?        ?     ?     ?     ?  
  4  1  1  A    6  ASN  A     6  .  ?        ?     ?     ?     ?  
  5  1  1  A    7  VAL  A     7  .  ?        ?     ?     ?     ?  
  6  1  1  A    8  ILE  A     8  .  ?        ?     ?     ?     ?  
  7  1  1  A    9  ASN  A     9  .  ?        ?     ?     ?     ?  
  8  1  1  A   10  GLY  A    10  .  ?        ?     ?     ?     ?  
  9  1  1  A   11  PRO  A    11  .  ?        ?     ?     ?     ?  
 10  1  1  A   12  ASN  A    12  .  ?        ?     ?     ?     ?  
 11  1  1  A   13  LEU  A    13  .  ?        ?     ?     ?     ?  
 12  1  1  A   14  GLY  A    14  .  ?        ?     ?     ?     ?  
 13  1  1  A   15  ARG  A    15  .  ?        ?     ?     ?     ?  
 14  1  1  A   16  LEU  A    16  .  ?        ?     ?     ?     ?  
 15  1  1  A   17  GLY  A    17  .  ?        ?     ?     ?     ?  
 16  1  1  A   18  ARG  A    18  .  ?        ?     ?     ?     ?  
 17  1  1  A   26  GLY  A    26  .  ?        ?     ?     ?     ?  
 18  1  1  A   27  THR  A    27  .  ?        ?     ?     ?     ?  
 19  1  1  A   28  THR  A    28  .  ?        ?     ?     ?     ?  
 20  1  1  A   29  HIS  A    29  .  ?        1     ?     ?     ?  
 21  1  1  A   30  ASP  A    30  .  ?        ?     ?     ?     ?  
 22  1  1  A   31  GLU  A    31  .  ?        ?     ?     ?     ?  
 23  1  1  A   32  LEU  A    32  .  ?        ?     ?     ?     ?  
 24  1  1  A   33  VAL  A    33  .  ?        1     ?     ?     ?  
 25  1  1  A   34  ALA  A    34  .  ?        ?     ?     ?     ?  
 26  1  1  A   35  LEU  A    35  .  ?        ?     ?     ?     ?  
 27  1  1  A   36  ILE  A    36  .  ?        ?     ?     ?     ?  
 28  1  1  A   37  GLU  A    37  .  ?        ?     ?     ?     ?  
 29  1  1  A   38  ARG  A    38  .  ?        ?     ?     ?     ?  
 30  1  1  A   39  GLU  A    39  .  ?        ?     ?     ?     ?  
 31  1  1  A   40  ALA  A    40  .  ?        ?     ?     ?     ?  
 32  1  1  A   41  ALA  A    41  .  ?        ?     ?     ?     ?  
 33  1  1  A   42  GLU  A    42  .  ?        ?     ?     ?     ?  
 34  1  1  A   43  LEU  A    43  .  ?        ?     ?     ?     ?  
 35  1  1  A   44  GLY  A    44  .  ?        ?     ?     ?     ?  
 36  1  1  A   45  LEU  A    45  .  ?        ?     ?     ?     ?  
 37  1  1  A   46  LYS  A    46  .  ?        ?     ?     ?     ?  
 38  1  1  A   47  ALA  A    47  .  ?        ?     ?     ?     ?  
 39  1  1  A   48  VAL  A    48  .  ?        ?     ?     ?     ?  
 40  1  1  A   49  VAL  A    49  .  ?        ?     ?     ?     ?  
 41  1  1  A   50  ARG  A    50  .  ?        4     ?     ?     ?  
 42  1  1  A   51  GLN  A    51  .  ?        ?     ?     ?     ?  
 43  1  1  A   52  SER  A    52  .  ?        ?     ?     ?     ?  
 44  1  1  A   53  ASP  A    53  .  ?        ?     ?     ?     ?  
 45  1  1  A   54  SER  A    54  .  ?        ?     ?     ?     ?  
 46  1  1  A   55  GLU  A    55  .  ?        ?     ?     ?     ?  
 47  1  1  A   56  ALA  A    56  .  ?        ?     ?     ?     ?  
 48  1  1  A   57  GLN  A    57  .  ?        ?     ?     ?     ?  
 49  1  1  A   58  LEU  A    58  .  ?        1     ?     ?     ?  
 50  1  1  A   59  LEU  A    59  .  ?        ?     ?     ?     ?  
 51  1  1  A   60  ASP  A    60  .  ?        ?     ?     ?     ?  
 52  1  1  A   61  TRP  A    61  .  ?        ?     ?     ?     ?  
 53  1  1  A   62  ILE  A    62  .  ?        1     ?     ?     ?  
 54  1  1  A   63  HIS  A    63  .  ?        ?     ?     ?     ?  
 55  1  1  A   64  GLN  A    64  .  ?        ?     ?     ?     ?  
 56  1  1  A   65  ALA  A    65  .  ?        ?     ?     ?     ?  
 57  1  1  A   66  ALA  A    66  .  ?        ?     ?     ?     ?  
 58  1  1  A   67  ASP  A    67  .  ?        ?     ?     ?     ?  
 59  1  1  A   68  ALA  A    68  .  ?        ?     ?     ?     ?  
 60  1  1  A   69  ALA  A    69  .  ?        ?     ?     ?     ?  
 61  1  1  A   70  GLU  A    70  .  ?        ?     ?     ?     ?  
 62  1  1  A   71  PRO  A    71  .  ?        ?     ?     ?     ?  
 63  1  1  A   72  VAL  A    72  .  ?        ?     ?     ?     ?  
 64  1  1  A   73  ILE  A    73  .  ?        ?     ?     ?     ?  
 65  1  1  A   74  LEU  A    74  .  ?        ?     ?     ?     ?  
 66  1  1  A   75  ASN  A    75  .  ?        ?     ?     ?     ?  
 67  1  1  A   76  ALA  A    76  .  ?        ?     ?     ?     ?  
 68  1  1  A   77  GLY  A    77  .  ?        ?     ?     ?     ?  
 69  1  1  A   78  GLY  A    78  .  ?        ?     ?     ?     ?  
 70  1  1  A   79  LEU  A    79  .  ?        ?     ?     ?     ?  
 71  1  1  A   80  THR  A    80  .  ?        ?     ?     ?     ?  
 72  1  1  A   81  HIS  A    81  .  ?        ?     ?     ?     ?  
 73  1  1  A   82  THR  A    82  .  ?        ?     ?     ?     ?  
 74  1  1  A   83  SER  A    83  .  ?        ?     ?     ?     ?  
 75  1  1  A   84  VAL  A    84  .  ?        ?     ?     ?     ?  
 76  1  1  A   85  ALA  A    85  .  ?        ?     ?     ?     ?  
 77  1  1  A   86  LEU  A    86  .  ?        ?     ?     ?     ?  
 78  1  1  A   87  ARG  A    87  .  ?        2     ?     ?     ?  
 79  1  1  A   88  ASP  A    88  .  ?        ?     ?     ?     ?  
 80  1  1  A   89  ALA  A    89  .  ?        ?     ?     ?     ?  
 81  1  1  A   90  CYS  A    90  .  ?        ?     ?     ?     ?  
 82  1  1  A   91  ALA  A    91  .  ?        ?     ?     ?     ?  
 83  1  1  A   92  GLU  A    92  .  ?        ?     ?     ?     ?  
 84  1  1  A   93  LEU  A    93  .  ?        ?     ?     ?     ?  
 85  1  1  A   94  SER  A    94  .  ?        ?     ?     ?     ?  
 86  1  1  A   95  ALA  A    95  .  ?        ?     ?     ?     ?  
 87  1  1  A   96  PRO  A    96  .  ?        ?     ?     ?     ?  
 88  1  1  A   97  LEU  A    97  .  ?        1     ?     ?     ?  
 89  1  1  A   98  ILE  A    98  .  ?        ?     ?     ?     ?  
 90  1  1  A   99  GLU  A    99  .  ?        ?     ?     ?     ?  
 91  1  1  A  100  VAL  A   100  .  ?        ?     ?     ?     ?  
 92  1  1  A  101  HIS  A   101  .  ?        ?     ?     ?     ?  
 93  1  1  A  102  ILE  A   102  .  ?        1     ?     ?     ?  
 94  1  1  A  103  SER  A   103  .  ?        ?     ?     ?     ?  
 95  1  1  A  104  ASN  A   104  .  ?        ?     ?     ?     ?  
 96  1  1  A  105  VAL  A   105  .  ?        ?     ?     ?     ?  
 97  1  1  A  106  HIS  A   106  .  ?        ?     ?     ?     ?  
 98  1  1  A  107  ALA  A   107  .  ?        ?     ?     ?     ?  
 99  1  1  A  108  ARG  A   108  .  ?        ?     ?     ?     ?  
100  1  1  A  109  GLU  A   109  .  ?        ?     ?     ?     ?  
101  1  1  A  110  GLU  A   110  .  ?        ?     ?     ?     ?  
102  1  1  A  111  PHE  A   111  .  ?        ?     ?     ?     ?  
103  1  1  A  112  ARG  A   112  .  ?        ?     ?     ?     ?  
104  1  1  A  113  ARG  A   113  .  ?        ?     ?     ?     ?  
105  1  1  A  114  HIS  A   114  .  ?        ?     ?     ?     ?  
106  1  1  A  115  SER  A   115  .  ?        ?     ?     ?     ?  
107  1  1  A  116  TYR  A   116  .  ?        1     ?     ?     ?  
108  1  1  A  117  LEU  A   117  .  ?        ?     ?     ?     ?  
109  1  1  A  118  SER  A   118  .  ?        ?     ?     ?     ?  
110  1  1  A  119  PRO  A   119  .  ?        ?     ?     ?     ?  
111  1  1  A  120  ILE  A   120  .  ?        ?     ?     ?     ?  
112  1  1  A  121  ALA  A   121  .  ?        1     ?     ?     ?  
113  1  1  A  122  THR  A   122  .  ?        ?     ?     ?     ?  
114  1  1  A  123  GLY  A   123  .  ?        ?     ?     ?     ?  
115  1  1  A  124  VAL  A   124  .  ?        ?     ?     ?     ?  
116  1  1  A  125  ILE  A   125  .  ?        ?     ?     ?     ?  
117  1  1  A  126  VAL  A   126  .  ?        ?     ?     ?     ?  
118  1  1  A  127  GLY  A   127  .  ?        ?     ?     ?     ?  
119  1  1  A  128  LEU  A   128  .  ?        ?     ?     ?     ?  
120  1  1  A  129  GLY  A   129  .  ?        1     ?     ?     ?  
121  1  1  A  130  ILE  A   130  .  ?        ?     ?     ?     ?  
122  1  1  A  131  GLN  A   131  .  ?        ?     ?     ?     ?  
123  1  1  A  132  GLY  A   132  .  ?        ?     ?     ?     ?  
124  1  1  A  133  TYR  A   133  .  ?        ?     ?     ?     ?  
125  1  1  A  134  LEU  A   134  .  ?        ?     ?     ?     ?  
126  1  1  A  135  LEU  A   135  .  ?        ?     ?     ?     ?  
127  1  1  A  136  ALA  A   136  .  ?        ?     ?     ?     ?  
128  1  1  A  137  LEU  A   137  .  ?        ?     ?     ?     ?  
129  1  1  A  138  ARG  A   138  .  ?        ?     ?     ?     ?  
130  1  1  A  139  TYR  A   139  .  ?        ?     ?     ?     ?  
131  1  1  A  140  LEU  A   140  .  ?        ?     ?     ?     ?  
132  1  1  A  141  ALA  A   141  .  ?        ?     ?     ?     ?  
133  1  1  A  142  GLU  A   142  .  ?        ?     ?     ?     ?  
134  1  2  B    .  W4N  A  1143  .  ?        ?     5     1     3  
135  1  3  C    .  SO4  A  1144  .  ?        ?     ?     ?     ?  
136  1  3  D    .  SO4  A  1145  .  ?        1     ?     ?     ?  
137  1  4  E    .  HOH  A  2001  .  ?        ?     ?     ?     ?  
138  1  4  E    .  HOH  A  2002  .  ?        ?     ?     ?     ?  
139  1  4  E    .  HOH  A  2003  .  ?        ?     ?     ?     ?  
140  1  4  E    .  HOH  A  2004  .  ?        ?     ?     ?     ?  
141  1  4  E    .  HOH  A  2005  .  ?        ?     ?     ?     ?  
142  1  4  E    .  HOH  A  2006  .  ?        ?     ?     ?     ?  
#
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  tt            ?       ?  ?          10  45.100     8  0.89    11  0.62  molprobity  1.000  
  2    2  mt       -102.2   142.8  Favored    11  35.570     8  0.28    11  0.97  molprobity  1.000  
  3    3  t        -130.3   134.3  Favored     9  32.450     7  0.25    10  0.70  molprobity  1.000  
  4    4  m-80      -98.0   131.5  Favored     6  24.270     8  0.39    11  0.40  molprobity  1.000  
  5    5  t        -117.3   114.0  Favored     9  20.560     7  0.52    10  0.88  molprobity  1.000  
  6    6  mt       -116.9   121.1  Favored    11  19.500     8  0.21    11  0.86  molprobity  1.000  
  7    7  m-20     -111.0   141.9  Favored     6  20.000     8  0.26    11  0.37  molprobity  1.000  
  8    8  ?         -99.4  -159.2  Favored     3  21.730     4  0.24     6  0.70  molprobity  1.000  
  9    9  Cg_exo    -49.9   133.7  Favored     7  22.990     8  0.43    11  0.70  molprobity  1.000  
 10   10  m-20       80.6    -4.8  Allowed     6  24.750     8  0.45    11  0.69  molprobity  1.000  
 11   11  mt        -82.9   -11.0  Favored    11  29.400     8  0.33    11  1.17  molprobity  1.000  
 12   12  ?         -61.2   -24.9  Favored     3  30.270     4  0.29     5  0.45  molprobity  1.000  
 13   13  mmm180    -91.0    -2.1  Favored    13  33.900    11  0.31    14  0.77  molprobity  1.000  
 14   14  tp        -37.2   130.2  Allowed    11  42.470     8  0.30    11  1.01  molprobity  1.000  
 15   15  ?          76.9    65.1  Favored     3  52.480     4  0.84     5  0.84  molprobity  1.000  
 16   16  mmt180        ?       ?  ?          13  64.290    10  0.82    11  1.12  molprobity  1.000  
 17   17  ?             ?       ?  ?           2  49.130     4  0.48     5  0.26  molprobity  1.000  
 18   18  m         -83.2   132.4  Favored     7  41.440     7  0.50    10  0.84  molprobity  1.000  
 19   19  p         -85.6   161.7  Favored     7  39.660     7  0.58    10  0.90  molprobity  1.000  
 20   20  t-80      -63.8   -35.2  Favored     7  32.350    11  0.45    15  0.37  molprobity  1.000  
 21   21  m-20      -64.3   -39.4  Favored     4  30.090     8  0.44    11  0.66  molprobity  1.000  
 22   22  mt-10     -63.8   -42.2  Favored     6  39.210     9  0.32    12  0.61  molprobity  1.000  
 23   23  tp        -58.6   -40.6  Favored    11  26.740     8  0.44    11  0.39  molprobity  1.000  
 24   24  t         -62.5   -47.5  Favored     9  24.680     7  0.21    10  0.50  molprobity  1.000  
 25   25  ?         -59.6   -45.8  Favored     5  28.130     5  0.47     7  0.44  molprobity  1.000  
 26   26  mt        -56.1   -48.6  Favored    11  30.670     8  0.41    11  0.73  molprobity  1.000  
 27   27  mt        -66.3   -50.4  Favored    11  29.090     8  0.23    11  0.37  molprobity  1.000  
 28   28  mt-10     -53.6   -43.4  Favored     6  34.810     9  0.42    12  0.39  molprobity  1.000  
 29   29  ttp180    -64.2   -49.8  Favored    13  43.670    11  0.28    14  0.83  molprobity  1.000  
 30   30  tp10      -61.6   -37.9  Favored     6  43.110     9  0.91    12  0.40  molprobity  1.000  
 31   31  ?         -65.8   -43.5  Favored     5  38.990     5  0.20     7  0.32  molprobity  1.000  
 32   32  ?         -50.7   -58.8  Favored     5  37.630     5  0.33     7  0.32  molprobity  1.000  
 33   33  mt-10     -48.3   -37.0  Favored     6  50.870     9  0.49    12  0.51  molprobity  1.000  
 34   34  mt        -85.8    -3.2  Favored    11  30.770     8  0.27    11  0.49  molprobity  1.000  
 35   35  ?          70.6    44.0  Favored     3  32.740     4  0.53     5  0.55  molprobity  1.000  
 36   36  mt       -125.8   167.0  Favored    11  33.720     8  0.45    11  1.06  molprobity  1.000  
 37   37  tttt     -112.4   129.3  Favored    13  31.160     9  0.38    11  0.51  molprobity  1.000  
 38   38  ?        -100.8   124.6  Favored     5  24.130     5  0.47     7  0.73  molprobity  1.000  
 39   39  t        -101.8   107.7  Favored     9  22.210     7  0.29    10  0.70  molprobity  1.000  
 40   40  t        -103.7   142.7  Favored     9  23.570     7  0.46    10  0.49  molprobity  1.000  
 41   41  mmt85    -148.8   145.2  Favored    13  32.640    11  0.58    14  1.28  molprobity  1.000  
 42   42  tm0?     -139.9   137.6  Favored     8  21.210     9  0.49    12  0.33  molprobity  1.000  
 43   43  t        -153.5   140.7  Favored     5  19.150     6  0.25     8  0.63  molprobity  1.000  
 44   44  m-20      -83.5    -4.3  Favored     4  20.190     8  0.47    11  1.25  molprobity  1.000  
 45   45  t         -96.7   117.5  Favored     5  17.910     6  0.73     8  0.53  molprobity  1.000  
 46   46  tt0       -56.0   -44.3  Favored     6  20.000     9  0.38    12  0.47  molprobity  1.000  
 47   47  ?         -61.0   -39.6  Favored     5  19.610     5  0.26     7  0.41  molprobity  1.000  
 48   48  tp-100    -66.1   -44.1  Favored     8  22.770     9  0.40    12  0.41  molprobity  1.000  
 49   49  mt        -57.4   -48.5  Favored    11  22.540     8  0.23    11  0.49  molprobity  1.000  
 50   50  mt        -57.8   -36.5  Favored    11  23.110     8  0.36    11  0.56  molprobity  1.000  
 51   51  t0        -65.7   -44.1  Favored     4  23.780     8  0.49    11  0.90  molprobity  1.000  
 52   52  m0        -62.0   -35.9  Favored    10  23.360    16  0.50    23  0.33  molprobity  1.000  
 53   53  mm        -70.1   -41.4  Favored    11  24.480     8  0.17    11  0.68  molprobity  1.000  
 54   54  m-70      -57.5   -49.1  Favored     7  26.420    11  0.31    15  0.53  molprobity  1.000  
 55   55  mt-30     -59.3   -44.8  Favored     8  26.410     9  0.62    12  0.40  molprobity  1.000  
 56   56  ?         -62.5   -37.4  Favored     5  22.400     5  0.52     7  0.33  molprobity  1.000  
 57   57  ?         -56.5   -60.4  Favored     5  23.310     5  0.47     7  0.45  molprobity  1.000  
 58   58  m-20      -51.8   -46.7  Favored     4  24.480     8  0.53    11  0.77  molprobity  1.000  
 59   59  ?         -72.0   -15.6  Favored     5  27.460     5  0.40     7  0.70  molprobity  1.000  
 60   60  ?          61.0    34.3  Favored     5  26.200     5  0.16     7  0.51  molprobity  1.000  
 61   61  mt-10     -94.9   143.4  Favored     6  31.910     9  0.55    13  0.55  molprobity  1.000  
 62   62  Cg_endo   -77.8   162.2  Favored     7  26.630     8  0.38    11  0.49  molprobity  1.000  
 63   63  t        -135.7   133.2  Favored     9  23.620     7  0.31    10  0.99  molprobity  1.000  
 64   64  mt       -105.2   118.5  Favored    11  19.260     8  0.24    11  0.75  molprobity  1.000  
 65   65  tp       -123.0   129.2  Favored    11  20.540     8  0.42    11  0.68  molprobity  1.000  
 66   66  t-20     -126.6    98.1  Favored     6  18.360     8  0.35    11  0.67  molprobity  1.000  
 67   67  ?         -89.8    11.0  Favored     5  21.560     5  0.19     7  0.47  molprobity  1.000  
 68   68  ?          48.6  -137.5  Favored     3  20.600     4  0.79     5  0.42  molprobity  1.000  
 69   69  ?         -54.7   -33.0  Favored     3  20.570     4  0.56     5  0.65  molprobity  1.000  
 70   70  mt        -61.9   -18.9  Favored    11  20.070     8  0.33    11  0.63  molprobity  1.000  
 71   71  m         -52.7   -42.3  Favored     7  20.230     7  0.23    10  0.83  molprobity  1.000  
 72   72  m-70      -92.9    -4.2  Favored     7  22.290    11  0.39    15  0.48  molprobity  1.000  
 73   73  p        -131.2   -31.5  Allowed     7  21.220     7  0.68    10  0.84  molprobity  1.000  
 74   74  t         -93.7   111.4  Favored     5  21.590     6  0.78     8  0.69  molprobity  1.000  
 75   75  t         -78.4   -33.7  Favored     9  20.260     7  0.25    10  0.58  molprobity  1.000  
 76   76  ?         -61.3   -48.8  Favored     5  20.510     5  0.61     7  0.55  molprobity  1.000  
 77   77  tp        -57.6   -45.4  Favored    11  21.450     8  0.59    11  0.68  molprobity  1.000  
 78   78  ttt85     -53.6   -41.3  Favored    13  21.660    11  0.38    14  0.61  molprobity  1.000  
 79   79  m-20      -71.8   -32.1  Favored     4  22.450     8  0.39    11  0.61  molprobity  1.000  
 80   80  ?         -70.5   -42.0  Favored     5  22.170     5  0.28     7  0.26  molprobity  1.000  
 81   81  m         -66.6   -33.7  Favored     5  22.100     6  0.60     8  0.41  molprobity  1.000  
 82   82  ?         -59.9   -23.6  Favored     5  25.620     5  0.55     7  0.71  molprobity  1.000  
 83   83  tt0       -78.2   -26.9  Favored     6  35.740     9  0.54    12  0.78  molprobity  1.000  
 84   84  mt        -56.1   132.2  Favored    11  29.290     8  0.53    11  0.68  molprobity  1.000  
 85   85  p         -94.9   -33.1  Favored     5  30.710     6  0.46     8  0.31  molprobity  1.000  
 86   86  ?         -72.7   170.1  Favored     5  27.230     5  0.62     8  0.41  molprobity  1.000  
 87   87  Cg_exo    -62.2   149.4  Favored     7  25.250     8  0.34    11  0.76  molprobity  1.000  
 88   88  tp       -127.2   120.1  Favored    11  23.350     8  0.49    11  0.66  molprobity  1.000  
 89   89  mm       -109.7   121.8  Favored    11  22.900     8  0.30    11  0.88  molprobity  1.000  
 90   90  tt0       -87.6   132.2  Favored     6  27.620     9  0.40    12  0.67  molprobity  1.000  
 91   91  t        -129.0   137.1  Favored     9  25.050     7  0.20    10  0.68  molprobity  1.000  
 92   92  m-70     -136.9   128.7  Favored     7  28.700    11  0.41    15  0.47  molprobity  1.000  
 93   93  mt        -67.1   -41.7  Favored    11  24.690     8  0.34    11  0.63  molprobity  1.000  
 94   94  p         -90.6   162.5  Favored     5  23.790     6  0.59     8  0.37  molprobity  1.000  
 95   95  t-20      -84.4   107.3  Favored     6  22.690     8  0.33    11  0.52  molprobity  1.000  
 96   96  m         -70.3   -18.0  Favored     9  24.190     7  0.56    10  0.47  molprobity  1.000  
 97   97  m-70      -86.6    -2.2  Favored     7  20.270    11  0.36    15  0.41  molprobity  1.000  
 98   98  ?        -104.4     1.4  Favored     5  24.310     5  0.46     7  0.58  molprobity  1.000  
 99   99  mtp180   -116.7  -136.0  Allowed    13  44.350    11  0.74    14  1.08  molprobity  1.000  
100  100  mp0       -66.8   156.4  Favored     6  30.170     9  0.43    12  0.59  molprobity  1.000  
101  101  mm-40     -66.7   -34.1  Favored     6  40.780     9  1.13    12  0.44  molprobity  1.000  
102  102  p90       -66.0   -23.9  Favored     9  27.200    12  0.67    16  0.45  molprobity  1.000  
103  103  mtt-85    -73.6    -8.2  Favored    13  29.870    11  0.40    14  0.89  molprobity  1.000  
104  104  mtp180    -95.1     6.0  Favored    13  24.280    11  0.52    14  1.15  molprobity  1.000  
105  105  t-80     -115.9   140.3  Favored     7  26.690    11  0.28    15  0.30  molprobity  1.000  
106  106  t        -138.4   123.1  Favored     5  21.490     6  0.59     8  0.44  molprobity  1.000  
107  107  m-85      -68.4   -18.5  Favored     9  21.010    13  0.40    18  0.52  molprobity  1.000  
108  108  mt        -86.7   -43.9  Favored    11  21.150     8  0.33    11  0.61  molprobity  1.000  
109  109  m         -41.7   -47.6  Favored     5  17.260     6  0.72     9  0.96  molprobity  1.000  
110  110  Cg_exo    -63.5   -36.4  Favored     7  18.140     8  0.22    11  0.49  molprobity  1.000  
111  111  pp        -90.7     3.9  Favored    11  19.930     8  0.70    11  1.02  molprobity  1.000  
112  112  ?         -88.8   157.4  Favored     5  18.980     5  0.10     7  0.19  molprobity  1.000  
113  113  m         -66.7   -43.9  Favored     7  19.380     7  0.33    10  0.75  molprobity  1.000  
114  114  ?        -166.9   179.3  Favored     3  20.240     4  0.31     5  0.16  molprobity  1.000  
115  115  t        -143.8   139.5  Favored     9  21.270     7  0.30    10  0.78  molprobity  1.000  
116  116  mt       -129.4   123.5  Favored    11  20.300     8  0.27    11  0.58  molprobity  1.000  
117  117  m        -132.2   145.2  Favored     9  19.360     7  0.48    10  0.64  molprobity  1.000  
118  118  ?          81.4     8.9  Favored     3  20.530     4  0.63     5  0.98  molprobity  1.000  
119  119  mt       -105.5    19.8  Favored    11  23.830     8  0.45    11  0.43  molprobity  1.000  
120  120  ?          57.6  -163.4  Favored     3  29.880     4  0.33     5  0.32  molprobity  1.000  
121  121  pp        -48.0   -19.6  Allowed    11  37.900     8  0.34    11  0.93  molprobity  1.000  
122  122  tt0       -73.3   -21.7  Favored     8  42.230     9  0.24    12  0.77  molprobity  1.000  
123  123  ?         -49.0   -41.9  Favored     3  25.510     4  0.37     5  0.16  molprobity  1.000  
124  124  m-85      -60.4   -44.2  Favored     9  21.180    13  0.67    18  0.58  molprobity  1.000  
125  125  mt        -67.8   -38.9  Favored    11  23.470     8  0.43    11  0.56  molprobity  1.000  
126  126  mt        -64.6   -46.8  Favored    11  24.590     8  0.39    11  0.46  molprobity  1.000  
127  127  ?         -52.7   -41.3  Favored     5  25.350     5  0.73     7  0.70  molprobity  1.000  
128  128  mt        -60.5   -46.4  Favored    11  31.050     8  0.39    11  0.88  molprobity  1.000  
129  129  ttm-85    -63.5   -30.2  Favored    13  42.090    11  0.32    14  0.88  molprobity  1.000  
130  130  t80       -61.0   -55.5  Favored     9  29.350    13  0.43    18  0.55  molprobity  1.000  
131  131  mt        -64.6   -29.1  Favored    11  30.940     8  0.35    11  0.67  molprobity  1.000  
132  132  ?         -57.6   -25.5  Favored     5  34.360     5  0.30     7  0.64  molprobity  1.000  
133  133  OUTLIER       ?       ?  ?           6  43.310     8  0.89     9  0.73  molprobity  1.000  
134  134  ?             ?       ?  ?          17  37.230    20  2.83    19  0.78  mogul       1.000  
135  135  ?             ?       ?  ?           ?  64.700     4  0.34     6  0.11  mogul       0.330  
136  136  ?             ?       ?  ?           ?  73.990     4  0.37     6  0.35  mogul       1.000  
137  137  ?             ?       ?  ?           ?  24.010     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  17.360     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  32.300     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?   7.230     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  13.790     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  16.950     ?     ?     ?     ?  ?           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   20  O     1  0.48  2.13  
 2   24  HG23  1  0.48  2.13  
 3   41  HH11  2  0.51  1.73  
 4   41  HG3   2  0.51  1.73  
 5   41  HG3   3  0.46  2.30  
 6   41  NH1   3  0.46  2.30  
 7   49  O     4  0.43  2.18  
 8   53  HG12  4  0.43  2.18  
 9   78  HG3   5  0.45  2.17  
10   78  NH1   6  0.43  2.52  
11   88  HD23  7  0.44  2.00  
12   93  HG23  8  0.43  2.00  
13  107  O     5  0.45  2.17  
14  112  HA    7  0.44  2.00  
15  120  HA2   8  0.43  2.00  
16  136  O3    6  0.43  2.52  
#
loop_
_pdbx_vrpt_instance_mogul_bond_outliers.ordinal
_pdbx_vrpt_instance_mogul_bond_outliers.instance_id
_pdbx_vrpt_instance_mogul_bond_outliers.atom_1
_pdbx_vrpt_instance_mogul_bond_outliers.atom_2
_pdbx_vrpt_instance_mogul_bond_outliers.obsval
_pdbx_vrpt_instance_mogul_bond_outliers.mean
_pdbx_vrpt_instance_mogul_bond_outliers.numobs
_pdbx_vrpt_instance_mogul_bond_outliers.stdev
_pdbx_vrpt_instance_mogul_bond_outliers.Zscore
_pdbx_vrpt_instance_mogul_bond_outliers.mindiff
1  134  CAM  CAQ  1.40  1.51  9489  0.02  -4.51  0.00  
2  134  CAR  CAP  1.41  1.51   105  0.01  -7.45  0.05  
3  134  CAG  CAP  1.40  1.33    64  0.03   2.31  0.01  
4  134  CAT  CAP  1.41  1.51    46  0.03  -3.82  0.05  
5  134  CAU  CAG  1.40  1.50    25  0.01  -7.43  0.05  
#
_pdbx_vrpt_instance_mogul_angle_outliers.ordinal      1
_pdbx_vrpt_instance_mogul_angle_outliers.instance_id  134
_pdbx_vrpt_instance_mogul_angle_outliers.atom_1       OAE
_pdbx_vrpt_instance_mogul_angle_outliers.atom_2       CAT
_pdbx_vrpt_instance_mogul_angle_outliers.atom_3       CAS
_pdbx_vrpt_instance_mogul_angle_outliers.obsval       106.38
_pdbx_vrpt_instance_mogul_angle_outliers.mean         110.28
_pdbx_vrpt_instance_mogul_angle_outliers.numobs       22
_pdbx_vrpt_instance_mogul_angle_outliers.stdev        1.70
_pdbx_vrpt_instance_mogul_angle_outliers.Zscore       -2.29
_pdbx_vrpt_instance_mogul_angle_outliers.mindiff      0.42
#
loop_
_pdbx_vrpt_instance_mogul_torsion_outliers.ordinal
_pdbx_vrpt_instance_mogul_torsion_outliers.instance_id
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_1
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_2
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_3
_pdbx_vrpt_instance_mogul_torsion_outliers.atom_4
_pdbx_vrpt_instance_mogul_torsion_outliers.obsval
_pdbx_vrpt_instance_mogul_torsion_outliers.mean
_pdbx_vrpt_instance_mogul_torsion_outliers.numobs
_pdbx_vrpt_instance_mogul_torsion_outliers.stdev
_pdbx_vrpt_instance_mogul_torsion_outliers.mindiff
_pdbx_vrpt_instance_mogul_torsion_outliers.local_density
1  134  CAQ  CAM  CAR  OAC  -156.08  83.06  41  22.97  13.90  0.00  
2  134  OAA  CAO  CAU  CAG   -72.26  45.85  42  20.92  13.12  0.00  
3  134  OAA  CAO  CAU  OAF    45.20  57.54  62  37.80   2.71  4.84  
#
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  0.908  0.161  -0.657  
  2    2   8  0.981  0.117  -1.164  
  3    3   7  0.979  0.131  -0.887  
  4    4   8  0.985  0.119  -0.930  
  5    5   7  0.975  0.140  -0.776  
  6    6   8  0.980  0.133  -0.968  
  7    7   8  0.985  0.119  -0.930  
  8    8   4  0.984  0.119  -0.637  
  9    9   7  0.987  0.149  -0.444  
 10   10   8  0.989  0.114  -0.996  
 11   11   8  0.975  0.144  -0.863  
 12   12   4  0.962  0.122  -0.602  
 13   13  11  0.976  0.159  -0.712  
 14   14   8  0.964  0.188  -0.329  
 15   15   4  0.899  0.176   0.030  
 16   16  11  0.829  0.240   0.147  
 17   17   4  0.926  0.199   0.300  
 18   18   7  0.929  0.168  -0.214  
 19   19   7  0.959  0.180  -0.050  
 20   20  10  0.966  0.121  -0.901  
 21   21   8  0.929  0.143  -0.611  
 22   22   9  0.932  0.169  -0.611  
 23   23   8  0.981  0.175  -0.487  
 24   24   7  0.961  0.168  -0.432  
 25   25   5  0.979  0.166  -0.219  
 26   26   8  0.957  0.222   0.084  
 27   27   8  0.968  0.134  -0.956  
 28   28   9  0.960  0.170  -0.600  
 29   29  11  0.953  0.263   0.391  
 30   30   9  0.911  0.231   0.069  
 31   31   5  0.980  0.189   0.066  
 32   32   5  0.969  0.220   0.449  
 33   33   9  0.910  0.371   1.604  
 34   34   8  0.967  0.213  -0.025  
 35   35   4  0.977  0.268   1.108  
 36   36   8  0.966  0.174  -0.499  
 37   37   9  0.975  0.178  -0.659  
 38   38   5  0.982  0.084  -1.234  
 39   39   7  0.973  0.163  -0.493  
 40   40   7  0.954  0.160  -0.530  
 41   41  11  0.941  0.218  -0.086  
 42   42   9  0.980  0.162  -0.585  
 43   43   6  0.983  0.158  -0.262  
 44   44   8  0.974  0.157  -0.437  
 45   45   6  0.980  0.149  -0.382  
 46   46   9  0.975  0.133  -1.005  
 47   47   5  0.987  0.130  -0.665  
 48   48   9  0.980  0.186  -0.299  
 49   49   8  0.970  0.129  -1.045  
 50   50   8  0.978  0.167  -0.584  
 51   51   8  0.973  0.186  -0.077  
 52   52  14  0.980  0.157  -0.515  
 53   53   8  0.966  0.169  -0.527  
 54   54  10  0.977  0.127  -0.822  
 55   55   9  0.933  0.211  -0.001  
 56   56   5  0.986  0.141  -0.528  
 57   57   5  0.983  0.116  -0.838  
 58   58   8  0.971  0.161  -0.388  
 59   59   5  0.976  0.177  -0.083  
 60   60   5  0.964  0.132  -0.640  
 61   61   9  0.959  0.179  -0.501  
 62   62   7  0.984  0.102  -1.046  
 63   63   7  0.982  0.121  -1.010  
 64   64   8  0.984  0.108  -1.275  
 65   65   8  0.987  0.113  -1.239  
 66   66   8  0.987  0.104  -1.127  
 67   67   5  0.980  0.157  -0.330  
 68   68   4  0.987  0.083  -1.059  
 69   69   4  0.978  0.104  -0.813  
 70   70   8  0.968  0.146  -0.839  
 71   71   7  0.978  0.114  -0.948  
 72   72  10  0.974  0.135  -0.718  
 73   73   7  0.956  0.154  -0.404  
 74   74   6  0.980  0.117  -0.809  
 75   75   7  0.980  0.129  -0.911  
 76   76   5  0.979  0.109  -0.925  
 77   77   8  0.977  0.110  -1.275  
 78   78  11  0.970  0.115  -1.178  
 79   79   8  0.963  0.111  -1.009  
 80   80   5  0.971  0.158  -0.318  
 81   81   6  0.962  0.108  -0.811  
 82   82   5  0.966  0.132  -0.640  
 83   83   9  0.960  0.188  -0.402  
 84   84   8  0.970  0.110  -1.275  
 85   85   6  0.967  0.184   0.085  
 86   86   5  0.975  0.116  -0.838  
 87   87   7  0.988  0.115  -0.880  
 88   88   8  0.982  0.112  -1.251  
 89   89   8  0.957  0.130  -1.005  
 90   90   9  0.968  0.142  -0.907  
 91   91   7  0.978  0.117  -1.059  
 92   92  10  0.968  0.127  -0.822  
 93   93   8  0.979  0.144  -0.833  
 94   94   6  0.991  0.112  -0.876  
 95   95   8  0.982  0.135  -0.720  
 96   96   7  0.973  0.117  -1.059  
 97   97  10  0.981  0.103  -1.136  
 98   98   5  0.987  0.108  -0.937  
 99   99  11  0.941  0.186  -0.425  
100  100   9  0.968  0.167  -0.633  
101  101   9  0.868  0.236   0.124  
102  102  11  0.978  0.159  -0.596  
103  103  11  0.968  0.170  -0.595  
104  104  11  0.945  0.166  -0.637  
105  105  10  0.973  0.131  -0.770  
106  106   6  0.978  0.128  -0.662  
107  107  12  0.970  0.136  -0.817  
108  108   8  0.987  0.117  -1.191  
109  109   6  0.986  0.125  -0.702  
110  110   7  0.984  0.099  -1.085  
111  111   8  0.969  0.133  -0.968  
112  112   5  0.985  0.101  -1.024  
113  113   7  0.975  0.137  -0.635  
114  114   4  0.986  0.126  -0.555  
115  115   7  0.985  0.093  -1.354  
116  116   8  0.979  0.137  -0.919  
117  117   7  0.985  0.112  -1.121  
118  118   4  0.989  0.095  -0.918  
119  119   8  0.974  0.123  -1.118  
120  120   4  0.981  0.113  -0.707  
121  121   8  0.976  0.203  -0.110  
122  122   9  0.937  0.173  -0.454  
123  123   4  0.987  0.089  -0.988  
124  124  12  0.973  0.145  -0.699  
125  125   8  0.980  0.175  -0.487  
126  126   8  0.985  0.130  -1.033  
127  127   5  0.982  0.092  -1.135  
128  128   8  0.978  0.203  -0.147  
129  129  11  0.953  0.231   0.052  
130  130  12  0.976  0.155  -0.569  
131  131   8  0.954  0.171  -0.535  
132  132   5  0.953  0.162  -0.269  
133  133   9  0.878  0.221  -0.041  
134  134  21  0.980  0.138       ?  
135  135   5  0.955  0.233       ?  
136  136   5  0.957  0.465       ?  
137  137   1  0.904  0.314       ?  
138  138   1  0.897  0.315       ?  
139  139   1  0.980  0.278       ?  
140  140   1  0.976  0.205       ?  
141  141   1  0.733  0.204       ?  
142  142   1  0.889  0.148       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.36                                                                  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  
##
