data_1PAE

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1PAE
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1PAE
_pdbx_vrpt_summary.PDB_deposition_date         2003-05-14
_pdbx_vrpt_summary.PDB_revision_number         6
_pdbx_vrpt_summary.PDB_revision_date           2021-10-27
_pdbx_vrpt_summary.report_creation_date        2021-10-17:00:58
_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      "Nucleoside diphosphate kinase, cytosolic"  
2  non-polymer  "SELENIUM ATOM"  
3  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  2  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  2.7  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   85.57  141614     ?     ?  
 2  2  1   93.08    3122  2.70  2.70  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3069  2.70  2.70  
 5  1  3    2.60  138945     ?     ?  
 6  2  3    6.94    3069  2.70  2.70  
 7  1  4   87.36  127900     ?     ?  
 8  2  4   88.64    2737  2.70  2.70  
 9  1  5   57.97  130704     ?     ?  
10  2  5   87.99    2808  2.70  2.70  
#
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  X  100.00  
2  4  2  A  1  1  X  100.00  
3  5  3  A  1  1  X    2.60  
4  6  3  A  1  1  X    6.94  
5  7  4  A  1  1  X   87.36  
6  8  4  A  1  1  X   88.64  
#
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  X  0.91  0.67  1141  1538  
2  1  2  B  X     ?     ?     ?     ?  
3  1  2  C  X     ?     ?     ?     ?  
4  1  3  D  X     ?     ?     ?     ?  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       15.13
_pdbx_vrpt_summary_geometry.clashscore                     2.20
_pdbx_vrpt_summary_geometry.num_H_reduce                   1146
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1141
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.67
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1538
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.91
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            23.386
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         45.813
_pdbx_vrpt_summary_diffraction.I_over_sigma              4.25(2.72A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        9549
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.273
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.505
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.341
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.946
_pdbx_vrpt_summary_diffraction.DCC_R                     0.19
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.70
_pdbx_vrpt_summary_diffraction.EDS_res_low               24.71
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[50.701,50.701,37.557,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.284
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 12.71% 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         98.65
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      1059
_pdbx_vrpt_summary_diffraction.percent_free_reflections  11.09
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.69
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.70
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        24.71
_pdbx_vrpt_summary_diffraction.PDB_R                     0.19
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.23
#
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    8  LYS  X    8  .  ?        ?     ?  
  2  1  1  A    9  GLU  X    9  .  ?        ?     ?  
  3  1  1  A   10  ARG  X   10  .  ?        ?     ?  
  4  1  1  A   11  THR  X   11  .  ?        ?     ?  
  5  1  1  A   12  PHE  X   12  .  ?        ?     ?  
  6  1  1  A   13  LEU  X   13  .  ?        ?     ?  
  7  1  1  A   14  ALA  X   14  .  ?        ?     ?  
  8  1  1  A   15  VAL  X   15  .  ?        ?     ?  
  9  1  1  A   16  LYS  X   16  .  ?        ?     ?  
 10  1  1  A   17  PRO  X   17  .  ?        ?     ?  
 11  1  1  A   18  ASP  X   18  .  ?        ?     ?  
 12  1  1  A   19  GLY  X   19  .  ?        ?     ?  
 13  1  1  A   20  VAL  X   20  .  ?        ?     ?  
 14  1  1  A   21  ALA  X   21  .  ?        ?     ?  
 15  1  1  A   22  ARG  X   22  .  ?        1     ?  
 16  1  1  A   23  GLY  X   23  .  ?        ?     ?  
 17  1  1  A   24  LEU  X   24  .  ?        ?     ?  
 18  1  1  A   25  VAL  X   25  .  ?        ?     ?  
 19  1  1  A   26  GLY  X   26  .  ?        ?     ?  
 20  1  1  A   27  GLU  X   27  .  ?        ?     ?  
 21  1  1  A   28  ILE  X   28  .  ?        ?     ?  
 22  1  1  A   29  ILE  X   29  .  ?        ?     ?  
 23  1  1  A   30  ALA  X   30  .  ?        ?     ?  
 24  1  1  A   31  ARG  X   31  .  ?        2     ?  
 25  1  1  A   32  TYR  X   32  .  ?        ?     ?  
 26  1  1  A   33  GLU  X   33  .  ?        ?     ?  
 27  1  1  A   34  LYS  X   34  .  ?        ?     ?  
 28  1  1  A   35  LYS  X   35  .  ?        ?     ?  
 29  1  1  A   36  GLY  X   36  .  ?        ?     ?  
 30  1  1  A   37  PHE  X   37  .  ?        ?     ?  
 31  1  1  A   38  VAL  X   38  .  ?        ?     ?  
 32  1  1  A   39  LEU  X   39  .  ?        ?     ?  
 33  1  1  A   40  VAL  X   40  .  ?        ?     ?  
 34  1  1  A   41  GLY  X   41  .  ?        ?     ?  
 35  1  1  A   42  LEU  X   42  .  ?        ?     ?  
 36  1  1  A   43  LYS  X   43  .  ?        ?     1  
 37  1  1  A   44  GLN  X   44  .  ?        ?     ?  
 38  1  1  A   45  LEU  X   45  .  ?        ?     ?  
 39  1  1  A   46  VAL  X   46  .  ?        ?     ?  
 40  1  1  A   47  PRO  X   47  .  ?        ?     ?  
 41  1  1  A   48  THR  X   48  .  ?        ?     1  
 42  1  1  A   49  LYS  X   49  .  ?        ?     ?  
 43  1  1  A   50  ASP  X   50  .  ?        ?     ?  
 44  1  1  A   51  LEU  X   51  .  ?        ?     1  
 45  1  1  A   52  ALA  X   52  .  ?        ?     ?  
 46  1  1  A   53  GLU  X   53  .  ?        ?     ?  
 47  1  1  A   54  SER  X   54  .  ?        ?     ?  
 48  1  1  A   55  HIS  X   55  .  ?        ?     ?  
 49  1  1  A   56  TYR  X   56  .  ?        ?     ?  
 50  1  1  A   57  ALA  X   57  .  ?        ?     ?  
 51  1  1  A   58  GLU  X   58  .  ?        ?     ?  
 52  1  1  A   59  HIS  X   59  .  ?        ?     ?  
 53  1  1  A   60  LYS  X   60  .  ?        ?     ?  
 54  1  1  A   61  GLU  X   61  .  ?        ?     ?  
 55  1  1  A   62  ARG  X   62  .  ?        ?     ?  
 56  1  1  A   63  PRO  X   63  .  ?        ?     ?  
 57  1  1  A   64  PHE  X   64  .  ?        ?     ?  
 58  1  1  A   65  PHE  X   65  .  ?        ?     ?  
 59  1  1  A   66  GLY  X   66  .  ?        ?     ?  
 60  1  1  A   67  GLY  X   67  .  ?        ?     ?  
 61  1  1  A   68  LEU  X   68  .  ?        ?     ?  
 62  1  1  A   69  VAL  X   69  .  ?        ?     ?  
 63  1  1  A   70  SER  X   70  .  ?        ?     ?  
 64  1  1  A   71  PHE  X   71  .  ?        ?     ?  
 65  1  1  A   72  ILE  X   72  .  ?        ?     ?  
 66  1  1  A   73  THR  X   73  .  ?        ?     ?  
 67  1  1  A   74  SER  X   74  .  ?        ?     ?  
 68  1  1  A   75  GLY  X   75  .  ?        ?     ?  
 69  1  1  A   76  PRO  X   76  .  ?        ?     ?  
 70  1  1  A   77  VAL  X   77  .  ?        ?     ?  
 71  1  1  A   78  VAL  X   78  .  ?        ?     ?  
 72  1  1  A   79  ALA  X   79  .  ?        ?     ?  
 73  1  1  A   80  MSE  X   80  .  ?        ?     ?  
 74  1  1  A   81  VAL  X   81  .  ?        ?     ?  
 75  1  1  A   82  PHE  X   82  .  ?        ?     ?  
 76  1  1  A   83  GLU  X   83  .  ?        ?     ?  
 77  1  1  A   84  GLY  X   84  .  ?        ?     ?  
 78  1  1  A   85  LYS  X   85  .  ?        ?     ?  
 79  1  1  A   86  GLY  X   86  .  ?        ?     ?  
 80  1  1  A   87  VAL  X   87  .  ?        ?     ?  
 81  1  1  A   88  VAL  X   88  .  ?        ?     ?  
 82  1  1  A   89  ALA  X   89  .  ?        ?     ?  
 83  1  1  A   90  SER  X   90  .  ?        ?     ?  
 84  1  1  A   91  ALA  X   91  .  ?        ?     ?  
 85  1  1  A   92  ARG  X   92  .  ?        ?     ?  
 86  1  1  A   93  LEU  X   93  .  ?        ?     ?  
 87  1  1  A   94  MSE  X   94  .  ?        ?     ?  
 88  1  1  A   95  ILE  X   95  .  ?        ?     1  
 89  1  1  A   96  GLY  X   96  .  ?        ?     ?  
 90  1  1  A   97  VAL  X   97  .  ?        ?     ?  
 91  1  1  A   98  THR  X   98  .  ?        ?     ?  
 92  1  1  A   99  ASN  X   99  .  ?        ?     ?  
 93  1  1  A  100  PRO  X  100  .  ?        ?     ?  
 94  1  1  A  101  LEU  X  101  .  ?        ?     ?  
 95  1  1  A  102  ALA  X  102  .  ?        ?     ?  
 96  1  1  A  103  SER  X  103  .  ?        ?     ?  
 97  1  1  A  104  ALA  X  104  .  ?        ?     ?  
 98  1  1  A  105  PRO  X  105  .  ?        ?     ?  
 99  1  1  A  106  GLY  X  106  .  ?        ?     ?  
100  1  1  A  107  SER  X  107  .  ?        ?     ?  
101  1  1  A  108  ILE  X  108  .  ?        ?     ?  
102  1  1  A  109  ARG  X  109  .  ?        1     1  
103  1  1  A  110  GLY  X  110  .  ?        ?     ?  
104  1  1  A  111  ASP  X  111  .  ?        ?     ?  
105  1  1  A  112  PHE  X  112  .  ?        ?     ?  
106  1  1  A  113  GLY  X  113  .  ?        ?     ?  
107  1  1  A  114  VAL  X  114  .  ?        ?     ?  
108  1  1  A  115  ASP  X  115  .  ?        1     ?  
109  1  1  A  116  VAL  X  116  .  ?        ?     ?  
110  1  1  A  117  GLY  X  117  .  ?        ?     ?  
111  1  1  A  118  ARG  X  118  .  ?        ?     ?  
112  1  1  A  119  ASN  X  119  .  ?        ?     ?  
113  1  1  A  120  ILE  X  120  .  ?        ?     ?  
114  1  1  A  121  ILE  X  121  .  ?        ?     ?  
115  1  1  A  122  SEC  X  122  .  ?        ?     2  
116  1  1  A  123  GLY  X  123  .  ?        ?     ?  
117  1  1  A  124  SER  X  124  .  ?        ?     ?  
118  1  1  A  125  ASP  X  125  .  ?        ?     ?  
119  1  1  A  126  SER  X  126  .  ?        ?     ?  
120  1  1  A  127  VAL  X  127  .  ?        ?     ?  
121  1  1  A  128  GLU  X  128  .  ?        ?     ?  
122  1  1  A  129  SER  X  129  .  ?        ?     ?  
123  1  1  A  130  ALA  X  130  .  ?        ?     ?  
124  1  1  A  131  ASN  X  131  .  ?        ?     ?  
125  1  1  A  132  ARG  X  132  .  ?        ?     ?  
126  1  1  A  133  GLU  X  133  .  ?        ?     ?  
127  1  1  A  134  ILE  X  134  .  ?        ?     ?  
128  1  1  A  135  ALA  X  135  .  ?        ?     ?  
129  1  1  A  136  LEU  X  136  .  ?        ?     ?  
130  1  1  A  137  TRP  X  137  .  ?        ?     ?  
131  1  1  A  138  PHE  X  138  .  ?        ?     1  
132  1  1  A  139  LYS  X  139  .  ?        ?     ?  
133  1  1  A  140  PRO  X  140  .  ?        ?     ?  
134  1  1  A  141  GLU  X  141  .  ?        ?     ?  
135  1  1  A  142  GLU  X  142  .  ?        ?     ?  
136  1  1  A  143  LEU  X  143  .  ?        ?     ?  
137  1  1  A  144  LEU  X  144  .  ?        ?     ?  
138  1  1  A  145  THR  X  145  .  ?        ?     ?  
139  1  1  A  146  GLU  X  146  .  ?        ?     ?  
140  1  1  A  147  VAL  X  147  .  ?        ?     ?  
141  1  1  A  148  LYS  X  148  .  ?        ?     ?  
142  1  1  A  149  PRO  X  149  .  ?        ?     ?  
143  1  1  A  150  ASN  X  150  .  ?        ?     ?  
144  1  1  A  151  PRO  X  151  .  ?        ?     ?  
145  1  1  A  152  ASN  X  152  .  ?        ?     ?  
146  1  1  A  153  LEU  X  153  .  ?        ?     ?  
147  1  1  A  154  TYR  X  154  .  ?        ?     ?  
148  1  1  A  155  GLU  X  155  .  ?        ?     ?  
149  1  2  B    .  SE   X  156  .  ?        ?     ?  
150  1  2  C    .  SE   X  157  .  ?        ?     2  
151  1  3  D    .  HOH  X  158  .  ?        ?     ?  
152  1  3  D    .  HOH  X  159  .  ?        ?     ?  
153  1  3  D    .  HOH  X  160  .  ?        ?     ?  
154  1  3  D    .  HOH  X  161  .  ?        ?     ?  
155  1  3  D    .  HOH  X  162  .  ?        ?     ?  
156  1  3  D    .  HOH  X  163  .  ?        ?     ?  
157  1  3  D    .  HOH  X  164  .  ?        ?     ?  
158  1  3  D    .  HOH  X  165  .  ?        ?     ?  
159  1  3  D    .  HOH  X  166  .  ?        ?     ?  
160  1  3  D    .  HOH  X  167  .  ?        ?     ?  
161  1  3  D    .  HOH  X  168  .  ?        ?     ?  
162  1  3  D    .  HOH  X  169  .  ?        ?     ?  
163  1  3  D    .  HOH  X  170  .  ?        ?     ?  
164  1  3  D    .  HOH  X  171  .  ?        ?     ?  
165  1  3  D    .  HOH  X  172  .  ?        ?     ?  
#
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  OUTLIER       ?       ?  ?          12  37.090     9  1.43    11  1.03  molprobity  1.000  
  2    2  tt0       -58.3   157.3  Favored     6  33.430     9  0.41    12  1.07  molprobity  1.000  
  3    3  mtt180   -141.9   144.4  Favored    13  33.760    11  0.40    14  0.66  molprobity  1.000  
  4    4  t        -128.1   155.7  Favored     7  30.680     7  0.66    10  1.05  molprobity  1.000  
  5    5  t80      -100.6   133.8  Favored     9  28.810    12  0.71    16  0.50  molprobity  1.000  
  6    6  OUTLIER  -128.0   142.1  Favored    11  29.230     8  0.63    11  1.64  molprobity  1.000  
  7    7  ?        -131.6   124.8  Favored     5  29.190     5  0.68     7  0.90  molprobity  1.000  
  8    8  OUTLIER   -89.6   116.3  Favored     9  29.250     7  1.47    10  1.54  molprobity  1.000  
  9    9  mtmt      -73.4   170.4  Favored    13  31.180     9  0.96    12  0.83  molprobity  1.000  
 10   10  Cg_exo    -61.8   -28.7  Favored     7  28.040     8  0.50    11  1.08  molprobity  1.000  
 11   11  p-10      -69.2   -38.6  Favored     4  26.100     8  0.49    11  1.77  molprobity  1.000  
 12   12  ?         -62.6   -44.0  Favored     3  25.830     4  0.44     5  0.53  molprobity  1.000  
 13   13  t         -64.3   -44.9  Favored     9  25.450     7  0.72    10  0.62  molprobity  1.000  
 14   14  ?         -63.4   -32.2  Favored     5  26.170     5  0.59     7  0.53  molprobity  1.000  
 15   15  mtm180    -88.4     0.0  Favored    13  26.670    11  0.59    14  1.93  molprobity  1.000  
 16   16  ?          73.1    44.5  Favored     3  24.360     4  0.42     5  0.36  molprobity  1.000  
 17   17  OUTLIER  -109.0     4.0  Favored    11  23.860     8  0.33    11  0.78  molprobity  1.000  
 18   18  t         -65.4   -53.2  Favored     9  22.350     7  0.82    10  0.64  molprobity  1.000  
 19   19  ?         -67.0   -37.7  Favored     3  22.960     4  0.23     5  0.44  molprobity  1.000  
 20   20  tp10      -54.5   -45.0  Favored     6  26.580     9  0.61    12  0.49  molprobity  1.000  
 21   21  mt        -72.7   -48.0  Favored    11  23.600     8  0.37    11  0.64  molprobity  1.000  
 22   22  mt        -54.6   -43.7  Favored    11  22.890     8  0.54    11  0.65  molprobity  1.000  
 23   23  ?         -62.2   -37.1  Favored     5  22.060     5  0.43     7  0.45  molprobity  1.000  
 24   24  mtp180    -59.8   -40.4  Favored    13  22.900    11  0.47    14  2.63  molprobity  1.000  
 25   25  m-85      -77.6   -39.9  Favored     9  25.380    13  0.62    18  0.37  molprobity  1.000  
 26   26  mt-10     -59.4   -41.8  Favored     6  24.600     9  0.69    12  0.67  molprobity  1.000  
 27   27  mtmm      -67.3   -26.2  Favored    13  33.400     9  0.67    11  0.79  molprobity  1.000  
 28   28  tptt      -75.9   -21.9  Favored    13  27.140     9  0.79    11  0.86  molprobity  1.000  
 29   29  ?         104.8     3.8  Favored     3  29.690     4  0.72     5  0.59  molprobity  1.000  
 30   30  m-85      -74.8   151.0  Favored     9  30.190    12  0.58    16  0.43  molprobity  1.000  
 31   31  t        -110.9   133.9  Favored     9  32.080     7  0.61    10  0.66  molprobity  1.000  
 32   32  tp        -80.0   114.5  Favored    11  32.120     8  0.52    11  1.27  molprobity  1.000  
 33   33  m        -113.8    -4.2  Favored     9  32.630     7  1.21    10  0.88  molprobity  1.000  
 34   34  ?        -153.8   145.6  Favored     3  32.610     4  0.70     5  0.37  molprobity  1.000  
 35   35  tp       -165.4   120.6  Allowed    11  33.450     8  0.36    11  0.72  molprobity  1.000  
 36   36  OUTLIER  -150.0   151.3  Favored    13  36.770     9  0.43    11  0.51  molprobity  1.000  
 37   37  tt0       -95.2   136.1  Favored     8  34.670     9  0.33    12  0.45  molprobity  1.000  
 38   38  pt?      -157.5   155.9  Favored    11  38.030     8  0.42    11  0.49  molprobity  1.000  
 39   39  t         -94.7   108.6  Favored     9  40.170     7  0.54    11  0.63  molprobity  1.000  
 40   40  Cg_exo    -60.6   143.6  Favored     7  43.060     8  0.53    11  0.93  molprobity  1.000  
 41   41  OUTLIER   -81.8   147.1  Favored     7  46.200     7  0.77    10  1.17  molprobity  1.000  
 42   42  OUTLIER   -44.9   -50.9  Favored    13  52.440     9  0.95    11  0.88  molprobity  1.000  
 43   43  p30       -78.8   -17.9  Favored     4  52.510     8  0.51    11  1.78  molprobity  1.000  
 44   44  tp        -70.6   -45.2  Favored    11  49.090     8  0.48    11  1.47  molprobity  1.000  
 45   45  ?         -58.2   -45.7  Favored     5  48.570     5  0.49     7  0.68  molprobity  1.000  
 46   46  mt-10     -65.0   -36.8  Favored     6  50.050     9  0.51    12  0.73  molprobity  1.000  
 47   47  m         -67.9   -42.1  Favored     5  50.430     6  0.50     8  0.73  molprobity  1.000  
 48   48  t60       -60.5   -42.4  Favored     7  51.090    11  0.39    15  0.36  molprobity  1.000  
 49   49  m-85     -103.5    42.0  Allowed     9  53.630    13  0.80    18  0.62  molprobity  1.000  
 50   50  ?         -70.4   -36.1  Favored     5  57.550     5  0.46     7  0.51  molprobity  1.000  
 51   51  pm0       -70.0    -2.7  Favored     6  63.140     9  0.69    12  0.47  molprobity  1.000  
 52   52  m-70     -112.8     9.2  Favored     7  64.810    11  0.53    15  0.65  molprobity  1.000  
 53   53  pttm      -69.8   -16.2  Favored    13  63.940     9  0.95    11  0.99  molprobity  1.000  
 54   54  mp0       -94.2     5.2  Favored     6  62.680     9  0.89    12  0.50  molprobity  1.000  
 55   55  OUTLIER  -105.2   163.2  Favored    13  69.940    11  0.76    15  1.48  molprobity  1.000  
 56   56  Cg_endo   -76.5   -39.5  Allowed     7  64.070     8  0.64    11  0.87  molprobity  1.000  
 57   57  OUTLIER   -78.8    18.4  Allowed     9  63.090    12  0.72    16  0.48  molprobity  1.000  
 58   58  t80       -60.5   -52.0  Favored     9  52.740    12  0.79    16  0.30  molprobity  1.000  
 59   59  ?         -61.0   -27.4  Favored     3  53.000     4  0.43     5  0.65  molprobity  1.000  
 60   60  ?         -65.7   -54.5  Favored     3  51.140     4  0.33     5  0.67  molprobity  1.000  
 61   61  OUTLIER   -47.8   -45.8  Favored    11  50.410     8  0.72    11  1.38  molprobity  1.000  
 62   62  t         -70.2   -46.4  Favored     9  47.160     7  0.89    10  1.05  molprobity  1.000  
 63   63  t         -55.6   -47.0  Favored     5  44.490     6  0.72     8  0.83  molprobity  1.000  
 64   64  t80       -71.5   -50.0  Favored     9  41.390    12  0.62    16  0.60  molprobity  1.000  
 65   65  tt        -64.1   -10.4  Favored    11  38.340     8  0.24    11  0.49  molprobity  1.000  
 66   66  p        -105.6    -1.6  Favored     7  36.710     7  0.68    10  1.01  molprobity  1.000  
 67   67  p         -79.2    -7.9  Favored     5  34.600     6  0.44     8  0.69  molprobity  1.000  
 68   68  ?        -169.4   179.7  Favored     3  33.640     4  0.51     6  0.46  molprobity  1.000  
 69   69  Cg_endo   -65.2   143.5  Favored     7  32.040     8  0.41    11  0.84  molprobity  1.000  
 70   70  t        -120.5   142.5  Favored     9  31.370     7  0.23    10  0.84  molprobity  1.000  
 71   71  OUTLIER  -108.5   124.8  Favored     9  31.100     7  1.17    10  1.37  molprobity  1.000  
 72   72  ?        -110.0   136.8  Favored     5  32.220     4  0.78     4  0.92  molprobity  1.000  
 73   73  ptt?     -149.4   154.9  Favored     9  39.050     8  0.83    10  0.58  molprobity  0.975  
 74   74  OUTLIER  -124.2   138.7  Favored     9  32.230     7  1.24    10  1.34  molprobity  1.000  
 75   75  m-85     -116.8   152.7  Favored     9  31.380    12  0.84    16  0.39  molprobity  1.000  
 76   76  tt0      -127.8   130.4  Favored     6  35.140     9  0.26    12  0.52  molprobity  1.000  
 77   77  ?         175.3   177.8  Favored     3  33.460     4  0.21     5  0.54  molprobity  1.000  
 78   78  tttt      -61.4   120.8  Favored    13  37.830     9  0.67    11  0.51  molprobity  1.000  
 79   79  ?          57.2    32.7  Favored     3  32.500     4  0.44     5  0.29  molprobity  1.000  
 80   80  p         -62.0   -29.3  Favored     9  32.720     7  0.79    10  0.48  molprobity  1.000  
 81   81  t         -68.5   -53.8  Favored     9  31.730     7  0.57    10  0.44  molprobity  1.000  
 82   82  ?         -70.4   -39.5  Favored     5  30.070     5  0.51     7  0.66  molprobity  1.000  
 83   83  t         -60.3   -46.8  Favored     5  28.770     6  0.52     8  0.34  molprobity  1.000  
 84   84  ?         -62.1   -33.3  Favored     5  28.470     5  0.35     7  0.28  molprobity  1.000  
 85   85  mtp180    -72.1   -34.8  Favored    13  36.120    11  0.63    14  1.31  molprobity  1.000  
 86   86  tp        -65.4   -41.2  Favored    11  30.980     7  0.63     8  0.90  molprobity  1.000  
 87   87  mtp       -65.5   -34.7  Favored     9  33.160     8  0.55    10  0.81  molprobity  0.975  
 88   88  mt        -72.3   -44.5  Favored    11  28.780     8  0.45    11  0.33  molprobity  1.000  
 89   89  ?         114.2  -151.5  Favored     3  31.650     4  0.36     5  0.61  molprobity  1.000  
 90   90  m        -114.4   169.8  Favored     9  32.410     7  0.52    10  0.56  molprobity  1.000  
 91   91  m         -52.1   -47.8  Favored     7  32.730     7  0.47    10  1.11  molprobity  1.000  
 92   92  t-20      -83.5   113.0  Favored     6  31.760     8  0.84    12  0.35  molprobity  1.000  
 93   93  Cg_exo    -58.8   -35.4  Favored     7  30.480     8  0.25    11  0.49  molprobity  1.000  
 94   94  OUTLIER   -56.2   -26.5  Favored    11  30.690     8  0.55    11  1.19  molprobity  1.000  
 95   95  ?        -105.7    -7.2  Favored     5  29.310     5  0.30     7  0.53  molprobity  1.000  
 96   96  m         -71.8   149.1  Favored     5  27.490     6  0.51     8  0.47  molprobity  1.000  
 97   97  ?         -85.0   146.9  Favored     5  25.720     5  0.54     8  0.49  molprobity  1.000  
 98   98  Cg_exo    -53.1   130.8  Favored     7  23.820     8  0.42    11  0.55  molprobity  1.000  
 99   99  ?         113.9   -27.7  Favored     3  21.680     4  0.53     5  0.82  molprobity  1.000  
100  100  p         -84.4   156.9  Favored     5  20.880     6  0.62     8  0.98  molprobity  1.000  
101  101  mt        -61.2   -55.3  Favored    11  21.830     8  0.39    11  0.38  molprobity  1.000  
102  102  OUTLIER   -66.4   -33.6  Favored    13  26.870    11  0.80    14  2.32  molprobity  1.000  
103  103  ?         -61.6   -33.4  Favored     3  22.940     4  0.47     5  0.66  molprobity  1.000  
104  104  m-20      -88.1   -36.9  Favored     4  24.020     8  0.39    11  1.58  molprobity  1.000  
105  105  m-85     -116.0   -24.8  Favored     9  27.050    12  1.02    16  0.71  molprobity  1.000  
106  106  ?         -99.8   156.3  Favored     3  28.370     4  0.54     5  1.12  molprobity  1.000  
107  107  OUTLIER  -137.1   -20.5  Allowed     9  32.720     7  0.87    10  0.92  molprobity  1.000  
108  108  t0       -131.0   140.2  Favored     4  34.750     8  0.71    11  1.97  molprobity  1.000  
109  109  t         -58.2   -41.8  Favored     9  34.140     7  0.55    10  0.74  molprobity  1.000  
110  110  ?         -73.1   -13.5  Favored     3  34.530     4  0.78     5  0.47  molprobity  1.000  
111  111  mmp_?    -127.4    60.5  Allowed    13  38.500    11  0.61    14  1.59  molprobity  1.000  
112  112  p-10     -102.8    25.6  Favored     6  31.420     8  0.66    11  0.96  molprobity  1.000  
113  113  mt         78.9   -55.7  Allowed    11  31.100     8  0.71    11  0.89  molprobity  1.000  
114  114  tt       -148.1   151.5  Favored    11  34.950     7  0.66     8  0.72  molprobity  1.000  
115  115  ?             ?       ?  ?           1  41.500     ?     ?     ?     ?  ?           0.933  
116  116  ?        -126.5   164.2  Favored     3  39.530     4  0.50     5  0.60  molprobity  1.000  
117  117  m         -59.2   141.3  Favored     5  39.730     6  0.22     8  0.31  molprobity  1.000  
118  118  p30       -94.4    -1.4  Favored     4  44.740     8  0.44    11  1.61  molprobity  1.000  
119  119  p        -163.8   169.9  Favored     5  42.740     6  0.59     8  0.75  molprobity  1.000  
120  120  t         -67.1   -33.8  Favored     9  43.170     7  0.88    10  0.49  molprobity  1.000  
121  121  mp0       -69.9   -45.9  Favored     6  48.600     9  1.00    12  0.55  molprobity  1.000  
122  122  m         -54.2   -49.7  Favored     5  43.970     6  0.56     8  0.44  molprobity  1.000  
123  123  ?         -55.0   -45.6  Favored     5  43.390     5  0.35     7  0.45  molprobity  1.000  
124  124  m-20      -64.5   -39.4  Favored     6  46.120     8  0.65    11  0.39  molprobity  1.000  
125  125  ttp85     -61.0   -58.3  Favored    13  51.850    11  0.67    14  0.80  molprobity  1.000  
126  126  mt-10     -55.4   -43.4  Favored     6  40.750     9  1.21    12  0.85  molprobity  1.000  
127  127  mt        -63.8   -48.9  Favored    11  41.980     8  0.37    11  0.72  molprobity  1.000  
128  128  ?         -63.5   -23.8  Favored     5  43.810     5  0.67     7  0.55  molprobity  1.000  
129  129  OUTLIER   -80.4   -41.8  Favored    11  45.250     8  0.55    11  1.07  molprobity  1.000  
130  130  m95       -88.5   -24.0  Favored    10  40.050    16  0.45    23  0.38  molprobity  1.000  
131  131  m-85     -129.9   116.5  Favored     9  46.650    12  0.59    16  0.59  molprobity  1.000  
132  132  mtpp      -58.9   143.0  Favored    13  54.830     9  1.05    12  0.50  molprobity  1.000  
133  133  Cg_exo    -56.4   -21.6  Favored     7  52.940     8  0.50    11  0.89  molprobity  1.000  
134  134  pm0       -82.5   -11.9  Favored     6  55.240     9  0.71    12  0.55  molprobity  1.000  
135  135  mt-10     -80.3   -10.6  Favored     6  49.330     9  0.96    12  0.69  molprobity  1.000  
136  136  mt       -107.5   139.4  Favored    11  50.160     8  0.23    11  0.47  molprobity  1.000  
137  137  mp        -66.4   137.7  Favored    11  52.900     8  0.31    11  0.87  molprobity  1.000  
138  138  p         -96.5   -48.1  Favored     7  58.200     7  0.80    10  1.27  molprobity  1.000  
139  139  pt-20     -97.5   110.3  Favored     6  65.990     9  1.10    12  0.55  molprobity  1.000  
140  140  t        -103.8   128.7  Favored     9  65.390     7  0.46    10  0.70  molprobity  1.000  
141  141  mtpm?    -122.5   103.5  Favored    13  68.980     9  0.81    12  0.47  molprobity  1.000  
142  142  Cg_endo   -94.8   154.7  Allowed     7  64.260     8  0.70    11  0.45  molprobity  1.000  
143  143  OUTLIER   -28.4   125.2  Allowed     6  59.660     8  0.25    12  0.56  molprobity  1.000  
144  144  Cg_endo   -74.9   -10.0  Favored     7  55.250     8  0.67    11  0.43  molprobity  1.000  
145  145  m-80      -81.5     5.5  Favored     6  45.520     8  0.75    11  0.59  molprobity  1.000  
146  146  mt       -105.1   -39.8  Favored    11  44.820     8  0.31    11  0.68  molprobity  1.000  
147  147  m-85     -115.3   150.8  Favored     9  39.380    13  0.64    18  0.56  molprobity  1.000  
148  148  OUTLIER       ?       ?  ?           6  46.170     8  0.51     9  1.09  molprobity  1.000  
149  149  ?             ?       ?  ?           ?  62.290     ?     ?     ?     ?  ?           0.850  
150  150  ?             ?       ?  ?           ?  67.600     ?     ?     ?     ?  ?           0.400  
151  151  ?             ?       ?  ?           ?  23.050     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?  18.480     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?  29.960     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?  19.530     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?  32.190     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?  27.030     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?  22.030     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?  30.000     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?  21.280     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?  24.920     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?  29.230     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?  32.890     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?  30.470     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?  34.710     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?  27.440     ?     ?     ?     ?  ?           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   36  HD3   1  0.45  2.51  
 2   41  HG22  2  0.52  1.74  
 3   44  H     2  0.52  1.74  
 4   88  O     3  0.44  2.17  
 5  102  HG3   3  0.44  2.17  
 6  115  SE    4  0.95  2.84  
 7  115  CB    5  0.83  2.77  
 8  131  CE1   1  0.45  2.51  
 9  150  SE    4  0.95  2.84  
10  150  SE    5  0.83  2.77  
#
loop_
_pdbx_vrpt_instance_intra_angle_outliers.ordinal
_pdbx_vrpt_instance_intra_angle_outliers.instance_id
_pdbx_vrpt_instance_intra_angle_outliers.atom_1
_pdbx_vrpt_instance_intra_angle_outliers.atom_2
_pdbx_vrpt_instance_intra_angle_outliers.atom_3
_pdbx_vrpt_instance_intra_angle_outliers.obs
_pdbx_vrpt_instance_intra_angle_outliers.mean
_pdbx_vrpt_instance_intra_angle_outliers.stdev
_pdbx_vrpt_instance_intra_angle_outliers.Z
1   15  NE  CZ  NH1  123.150  120.300  0.500   5.70  
2   24  NE  CZ  NH1  123.709  120.300  0.500   6.82  
3   24  NE  CZ  NH2  117.317  120.300  0.500  -5.97  
4  102  NE  CZ  NH1  123.566  120.300  0.500   6.53  
5  108  CB  CG  OD2  123.113  118.300  0.900   5.35  
#
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  0.816  0.169  -0.587  
  2    2   9  0.927  0.160  -0.560  
  3    3  11  0.962  0.105  -1.238  
  4    4   7  0.986  0.091  -1.140  
  5    5  11  0.971  0.113  -1.004  
  6    6   8  0.972  0.181  -0.152  
  7    7   5  0.976  0.210   0.622  
  8    8   7  0.970  0.170  -0.169  
  9    9   9  0.967  0.183  -0.428  
 10   10   7  0.978  0.095  -1.035  
 11   11   8  0.967  0.115  -0.846  
 12   12   4  0.990  0.085  -1.004  
 13   13   7  0.958  0.100  -1.195  
 14   14   5  0.962  0.109  -0.839  
 15   15  11  0.975  0.098  -1.325  
 16   16   4  0.973  0.100  -0.805  
 17   17   8  0.980  0.133  -0.833  
 18   18   7  0.980  0.119  -0.916  
 19   19   4  0.981  0.094  -0.884  
 20   20   9  0.948  0.119  -1.053  
 21   21   8  0.972  0.131  -0.859  
 22   22   8  0.984  0.142  -0.696  
 23   23   5  0.973  0.096  -1.027  
 24   24  11  0.976  0.106  -1.226  
 25   25  12  0.967  0.129  -0.716  
 26   26   9  0.976  0.102  -1.258  
 27   27   9  0.915  0.183  -0.428  
 28   28   9  0.941  0.130  -1.032  
 29   29   4  0.984  0.095  -0.871  
 30   30  11  0.965  0.118  -0.932  
 31   31   7  0.974  0.118  -0.931  
 32   32   8  0.971  0.155  -0.521  
 33   33   7  0.961  0.134  -0.696  
 34   34   4  0.979  0.127  -0.446  
 35   35   8  0.970  0.181  -0.152  
 36   36   9  0.963  0.141  -0.906  
 37   37   9  0.967  0.128  -0.839  
 38   38   8  0.982  0.106  -1.216  
 39   39   7  0.970  0.119  -0.916  
 40   40   7  0.970  0.074  -1.337  
 41   41   7  0.912  0.179   0.143  
 42   42   9  0.891  0.223   0.029  
 43   43   8  0.858  0.172  -0.085  
 44   44   8  0.953  0.123  -0.974  
 45   45   5  0.966  0.081  -1.245  
 46   46   9  0.933  0.157  -0.596  
 47   47   6  0.917  0.164  -0.024  
 48   48  10  0.954  0.168  -0.086  
 49   49  12  0.942  0.127  -0.747  
 50   50   5  0.954  0.123  -0.637  
 51   51   9  0.866  0.250   0.523  
 52   52  10  0.934  0.186   0.172  
 53   53   9  0.898  0.248   0.314  
 54   54   9  0.922  0.222   0.187  
 55   55  11  0.852  0.257   0.657  
 56   56   7  0.813  0.244   1.109  
 57   57  11  0.935  0.248   0.941  
 58   58  11  0.939  0.175  -0.111  
 59   59   4  0.960  0.114  -0.619  
 60   60   4  0.971  0.091  -0.924  
 61   61   8  0.965  0.165  -0.379  
 62   62   7  0.960  0.135  -0.682  
 63   63   6  0.927  0.138  -0.386  
 64   64  11  0.968  0.097  -1.235  
 65   65   8  0.978  0.114  -1.111  
 66   66   7  0.924  0.149  -0.294  
 67   67   6  0.942  0.162  -0.052  
 68   68   4  0.974  0.181   0.271  
 69   69   7  0.979  0.115  -0.747  
 70   70   7  0.985  0.134  -0.696  
 71   71   7  0.957  0.203   0.315  
 72   72   5  0.978  0.146  -0.304  
 73   73   8  0.963  0.120       ?  
 74   74   7  0.975  0.167  -0.213  
 75   75  11  0.979  0.155  -0.399  
 76   76   9  0.945  0.118  -1.065  
 77   77   4  0.972  0.099  -0.818  
 78   78   9  0.941  0.168  -0.599  
 79   79   4  0.978  0.063  -1.296  
 80   80   7  0.978  0.114  -0.990  
 81   81   7  0.974  0.097  -1.239  
 82   82   5  0.977  0.071  -1.389  
 83   83   6  0.965  0.096  -0.971  
 84   84   5  0.972  0.161  -0.087  
 85   85  11  0.928  0.169  -0.440  
 86   86   8  0.960  0.143  -0.691  
 87   87   8  0.967  0.127       ?  
 88   88   8  0.975  0.123  -0.978  
 89   89   4  0.964  0.109  -0.685  
 90   90   7  0.981  0.124  -0.843  
 91   91   7  0.964  0.122  -0.688  
 92   92   8  0.960  0.093  -1.147  
 93   93   7  0.977  0.120  -0.675  
 94   94   8  0.983  0.094  -1.386  
 95   95   5  0.961  0.099  -0.984  
 96   96   6  0.972  0.103  -0.873  
 97   97   5  0.966  0.155  -0.174  
 98   98   7  0.986  0.068  -1.423  
 99   99   4  0.989  0.078  -1.097  
100  100   6  0.985  0.089  -1.068  
101  101   8  0.973  0.123  -0.978  
102  102  11  0.972  0.123  -1.014  
103  103   4  0.964  0.105  -0.738  
104  104   8  0.984  0.079  -1.327  
105  105  11  0.958  0.123  -0.860  
106  106   4  0.974  0.131  -0.393  
107  107   7  0.978  0.110  -1.048  
108  108   8  0.964  0.098  -1.073  
109  109   7  0.974  0.126  -0.814  
110  110   4  0.952  0.119  -0.552  
111  111  11  0.960  0.101  -1.288  
112  112   8  0.967  0.147  -0.405  
113  113   8  0.986  0.209   0.296  
114  114   8  0.988  0.251   0.919  
115  115   6  0.932  0.134       ?  
116  116   4  0.953  0.125  -0.473  
117  117   6  0.971  0.105  -0.845  
118  118   8  0.920  0.165  -0.179  
119  119   6  0.914  0.129  -0.511  
120  120   7  0.968  0.145  -0.535  
121  121   9  0.840  0.248   0.499  
122  122   6  0.967  0.141  -0.344  
123  123   5  0.957  0.094  -1.056  
124  124   8  0.939  0.227   0.694  
125  125  11  0.924  0.265   0.757  
126  126   9  0.947  0.136  -0.848  
127  127   8  0.948  0.137  -0.770  
128  128   5  0.982  0.124  -0.622  
129  129   8  0.953  0.121  -1.003  
130  130  14  0.972  0.104  -1.032  
131  131  11  0.919  0.142  -0.586  
132  132   9  0.836  0.224   0.040  
133  133   7  0.953  0.145  -0.315  
134  134   9  0.822  0.251   0.535  
135  135   9  0.937  0.112  -1.137  
136  136   8  0.962  0.157  -0.492  
137  137   8  0.958  0.136  -0.790  
138  138   7  0.942  0.117  -0.761  
139  139   9  0.723  0.356   1.799  
140  140   7  0.946  0.150  -0.462  
141  141   9  0.819  0.477   2.925  
142  142   7  0.779  0.283   1.671  
143  143   8  0.880  0.184   0.103  
144  144   7  0.832  0.219   0.750  
145  145   8  0.955  0.147  -0.405  
146  146   8  0.977  0.119  -1.031  
147  147  12  0.950  0.125  -0.777  
148  148   9  0.892  0.147  -0.716  
149  149   1  0.963  0.182       ?  
150  150   1  0.873  0.477       ?  
151  151   1  0.965  0.145       ?  
152  152   1  0.963  0.142       ?  
153  153   1  0.946  0.201       ?  
154  154   1  0.924  0.115       ?  
155  155   1  0.929  0.227       ?  
156  156   1  0.611  0.353       ?  
157  157   1  0.980  0.163       ?  
158  158   1  0.937  0.183       ?  
159  159   1  0.962  0.112       ?  
160  160   1  0.899  0.269       ?  
161  161   1  0.950  0.397       ?  
162  162   1  0.879  0.457       ?  
163  163   1  0.779  0.383       ?  
164  164   1  0.866  0.414       ?  
165  165   1  0.922  0.154       ?  
#
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        "1.8.5 (274361), CSD as541be (2020)"                                  Y  
3  eds          2.23.2                                                                Y  
4  dcc          "2.26  (2020-01-20)"                                                  Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
