data_4MEI

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  4MEI
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    4MEI
_pdbx_vrpt_summary.PDB_deposition_date         2013-08-26
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2024-02-28
_pdbx_vrpt_summary.report_creation_date        2024-02-20:07:13
_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  "VirB8 protein"  
2  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.85  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   96.76  141614     ?     ?  
 2  2  1   98.98    3438  2.82  2.90  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    3348  2.82  2.90  
 5  1  3   23.53  138945     ?     ?  
 6  2  3   51.89    3351  2.82  2.90  
 7  1  4  100.00  127900     ?     ?  
 8  2  4  100.00    3103  2.82  2.90  
 9  1  5   46.99  130704     ?     ?  
10  2  5   83.73    3168  2.82  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   23.53  
4  6  3  A  1  1  A   51.89  
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      0.74
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.62
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1131
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1539
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       5.13
_pdbx_vrpt_summary_geometry.clashscore                     0.94
_pdbx_vrpt_summary_geometry.num_H_reduce                   1024
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1131
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.62
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1539
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.74
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 148.107
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            31.014
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         62.075
_pdbx_vrpt_summary_diffraction.I_over_sigma              3.50(2.86A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        6130
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.083
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.323
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.488
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.325
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.933
_pdbx_vrpt_summary_diffraction.DCC_R                     0.20
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.24
_pdbx_vrpt_summary_diffraction.EDS_R                     0.20
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.85
_pdbx_vrpt_summary_diffraction.EDS_res_low               41.15
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[63.644,63.644,58.919,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.076
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 10.42% of the height of the origin peak. No significant pseudotranslation is detected."
_pdbx_vrpt_summary_diffraction.B_factor_type             FULL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         99.87
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      286
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.64
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     0.00
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.85
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        44.14
_pdbx_vrpt_summary_diffraction.PDB_R                     0.20
_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_clashes
  1  1  1  A   44  TYR  A   85  .  ?        ?  
  2  1  1  A   45  ASP  A   86  .  ?        ?  
  3  1  1  A   46  GLU  A   87  .  ?        ?  
  4  1  1  A   47  ALA  A   88  .  ?        ?  
  5  1  1  A   48  ILE  A   89  .  ?        ?  
  6  1  1  A   49  THR  A   90  .  ?        ?  
  7  1  1  A   50  ARG  A   91  .  ?        ?  
  8  1  1  A   51  TYR  A   92  .  ?        ?  
  9  1  1  A   52  PHE  A   93  .  ?        ?  
 10  1  1  A   53  ALA  A   94  .  ?        ?  
 11  1  1  A   54  SER  A   95  .  ?        ?  
 12  1  1  A   55  GLN  A   96  .  ?        1  
 13  1  1  A   56  TYR  A   97  .  ?        ?  
 14  1  1  A   57  VAL  A   98  .  ?        ?  
 15  1  1  A   58  ARG  A   99  A  ?        ?  
 16  1  1  A   58  ARG  A   99  B  ?        1  
 17  1  1  A   59  ALA  A  100  .  ?        ?  
 18  1  1  A   60  ARG  A  101  .  ?        ?  
 19  1  1  A   61  GLU  A  102  .  ?        ?  
 20  1  1  A   62  GLY  A  103  .  ?        ?  
 21  1  1  A   63  PHE  A  104  .  ?        ?  
 22  1  1  A   64  GLN  A  105  .  ?        ?  
 23  1  1  A   65  ALA  A  106  .  ?        ?  
 24  1  1  A   66  SER  A  107  .  ?        ?  
 25  1  1  A   67  GLU  A  108  .  ?        ?  
 26  1  1  A   68  ALA  A  109  .  ?        ?  
 27  1  1  A   69  GLU  A  110  .  ?        ?  
 28  1  1  A   70  ASN  A  111  .  ?        ?  
 29  1  1  A   71  SER  A  112  .  ?        ?  
 30  1  1  A   72  PHE  A  113  .  ?        ?  
 31  1  1  A   73  ARG  A  114  .  ?        ?  
 32  1  1  A   74  LEU  A  115  .  ?        2  
 33  1  1  A   75  VAL  A  116  .  ?        ?  
 34  1  1  A   76  SER  A  117  .  ?        ?  
 35  1  1  A   77  LEU  A  118  .  ?        ?  
 36  1  1  A   78  LEU  A  119  .  ?        ?  
 37  1  1  A   79  SER  A  120  .  ?        ?  
 38  1  1  A   80  SER  A  121  .  ?        ?  
 39  1  1  A   81  PRO  A  122  .  ?        ?  
 40  1  1  A   82  LYS  A  123  .  ?        ?  
 41  1  1  A   83  GLU  A  124  .  ?        ?  
 42  1  1  A   84  GLN  A  125  .  ?        ?  
 43  1  1  A   85  ASN  A  126  .  ?        ?  
 44  1  1  A   86  ARG  A  127  .  ?        ?  
 45  1  1  A   87  PHE  A  128  .  ?        ?  
 46  1  1  A   88  ALA  A  129  .  ?        ?  
 47  1  1  A   89  LYS  A  130  .  ?        ?  
 48  1  1  A   90  TRP  A  131  .  ?        ?  
 49  1  1  A   91  TYR  A  132  .  ?        ?  
 50  1  1  A   92  ALA  A  133  .  ?        ?  
 51  1  1  A   93  GLY  A  134  .  ?        ?  
 52  1  1  A   94  ASN  A  135  .  ?        ?  
 53  1  1  A   95  ASN  A  136  .  ?        ?  
 54  1  1  A   96  PRO  A  137  .  ?        ?  
 55  1  1  A   97  GLU  A  138  .  ?        ?  
 56  1  1  A   98  SER  A  139  .  ?        ?  
 57  1  1  A   99  PRO  A  140  .  ?        ?  
 58  1  1  A  100  GLN  A  141  .  ?        ?  
 59  1  1  A  101  ASN  A  142  .  ?        ?  
 60  1  1  A  102  ILE  A  143  .  ?        ?  
 61  1  1  A  103  TYR  A  144  .  ?        ?  
 62  1  1  A  104  HIS  A  145  .  ?        ?  
 63  1  1  A  105  ASN  A  146  .  ?        ?  
 64  1  1  A  106  MET  A  147  .  ?        ?  
 65  1  1  A  107  ILE  A  148  .  ?        ?  
 66  1  1  A  108  ALA  A  149  .  ?        ?  
 67  1  1  A  109  THR  A  150  .  ?        ?  
 68  1  1  A  110  VAL  A  151  .  ?        ?  
 69  1  1  A  111  THR  A  152  .  ?        ?  
 70  1  1  A  112  ILE  A  153  .  ?        ?  
 71  1  1  A  113  LYS  A  154  .  ?        ?  
 72  1  1  A  114  SER  A  155  .  ?        ?  
 73  1  1  A  115  ILE  A  156  .  ?        ?  
 74  1  1  A  116  SER  A  157  .  ?        ?  
 75  1  1  A  117  PHE  A  158  .  ?        ?  
 76  1  1  A  118  ILE  A  159  .  ?        ?  
 77  1  1  A  119  SER  A  160  .  ?        ?  
 78  1  1  A  120  LYS  A  161  .  ?        ?  
 79  1  1  A  121  ASP  A  162  .  ?        ?  
 80  1  1  A  122  LEU  A  163  .  ?        ?  
 81  1  1  A  123  ILE  A  164  .  ?        ?  
 82  1  1  A  124  GLN  A  165  .  ?        ?  
 83  1  1  A  125  VAL  A  166  .  ?        ?  
 84  1  1  A  126  ARG  A  167  .  ?        ?  
 85  1  1  A  127  TYR  A  168  .  ?        ?  
 86  1  1  A  128  TYR  A  169  .  ?        ?  
 87  1  1  A  129  LYS  A  170  .  ?        ?  
 88  1  1  A  130  THR  A  171  .  ?        ?  
 89  1  1  A  131  VAL  A  172  .  ?        ?  
 90  1  1  A  132  ARG  A  173  .  ?        ?  
 91  1  1  A  133  ASP  A  174  .  ?        ?  
 92  1  1  A  134  PHE  A  175  .  ?        ?  
 93  1  1  A  135  SER  A  176  .  ?        ?  
 94  1  1  A  136  GLU  A  177  .  ?        ?  
 95  1  1  A  137  LYS  A  178  .  ?        ?  
 96  1  1  A  138  GLU  A  179  .  ?        ?  
 97  1  1  A  139  THR  A  180  .  ?        ?  
 98  1  1  A  140  ILE  A  181  .  ?        ?  
 99  1  1  A  141  SER  A  182  .  ?        ?  
100  1  1  A  142  HIS  A  183  .  ?        ?  
101  1  1  A  143  TRP  A  184  .  ?        ?  
102  1  1  A  144  VAL  A  185  .  ?        ?  
103  1  1  A  145  SER  A  186  .  ?        ?  
104  1  1  A  146  ILE  A  187  .  ?        ?  
105  1  1  A  147  LEU  A  188  .  ?        ?  
106  1  1  A  148  ASN  A  189  .  ?        ?  
107  1  1  A  149  PHE  A  190  .  ?        ?  
108  1  1  A  150  SER  A  191  .  ?        ?  
109  1  1  A  151  TYR  A  192  .  ?        ?  
110  1  1  A  152  VAL  A  193  .  ?        ?  
111  1  1  A  153  ASN  A  194  .  ?        ?  
112  1  1  A  154  ALA  A  195  .  ?        ?  
113  1  1  A  155  HIS  A  196  .  ?        ?  
114  1  1  A  156  ILE  A  197  .  ?        ?  
115  1  1  A  157  SER  A  198  .  ?        ?  
116  1  1  A  158  THR  A  199  .  ?        ?  
117  1  1  A  159  SER  A  200  .  ?        ?  
118  1  1  A  160  ASP  A  201  .  ?        ?  
119  1  1  A  161  ARG  A  202  .  ?        ?  
120  1  1  A  162  LEU  A  203  .  ?        ?  
121  1  1  A  163  ILE  A  204  .  ?        ?  
122  1  1  A  164  ASN  A  205  .  ?        ?  
123  1  1  A  165  PRO  A  206  .  ?        ?  
124  1  1  A  166  LEU  A  207  .  ?        ?  
125  1  1  A  167  GLY  A  208  .  ?        ?  
126  1  1  A  168  PHE  A  209  .  ?        ?  
127  1  1  A  169  GLN  A  210  .  ?        ?  
128  1  1  A  170  VAL  A  211  .  ?        ?  
129  1  1  A  171  SER  A  212  .  ?        ?  
130  1  1  A  172  GLU  A  213  .  ?        ?  
131  1  1  A  173  TYR  A  214  .  ?        ?  
132  1  1  A  174  ARG  A  215  .  ?        ?  
133  1  1  A  175  SER  A  216  .  ?        ?  
134  1  1  A  176  ASP  A  217  .  ?        ?  
135  1  1  A  177  PRO  A  218  .  ?        ?  
136  1  1  A  178  GLU  A  219  .  ?        ?  
137  1  1  A  179  VAL  A  220  .  ?        ?  
138  1  2  B    .  HOH  A  301  .  ?        ?  
139  1  2  B    .  HOH  A  302  .  ?        ?  
140  1  2  B    .  HOH  A  303  .  ?        ?  
141  1  2  B    .  HOH  A  304  .  ?        ?  
142  1  2  B    .  HOH  A  305  .  ?        ?  
143  1  2  B    .  HOH  A  306  .  ?        ?  
144  1  2  B    .  HOH  A  307  .  ?        ?  
145  1  2  B    .  HOH  A  308  .  ?        ?  
146  1  2  B    .  HOH  A  309  .  ?        ?  
147  1  2  B    .  HOH  A  310  .  ?        ?  
148  1  2  B    .  HOH  A  311  .  ?        ?  
149  1  2  B    .  HOH  A  312  .  ?        ?  
150  1  2  B    .  HOH  A  313  .  ?        ?  
151  1  2  B    .  HOH  A  314  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  m-85          ?       ?  ?           ?     8  102.880    13  0.60    18  0.55  molprobity  1.000  
  2    2  t0        -67.7   137.1  Favored     ?     4   88.470     8  0.48    11  0.51  molprobity  1.000  
  3    3  mt-10     -49.1   -40.8  Favored     ?     6   72.380     9  0.61    12  0.81  molprobity  1.000  
  4    4  ?         -63.7   -40.6  Favored     ?     5   52.200     5  0.21     7  0.55  molprobity  1.000  
  5    5  tp        -74.0   -26.7  Favored     ?    11   55.000     8  0.48    11  0.79  molprobity  1.000  
  6    6  m         -73.0   -37.7  Favored     ?     7   49.820     7  0.64    10  0.65  molprobity  1.000  
  7    7  mtt85     -63.6   -44.1  Favored     ?    13   57.040    11  0.40    14  0.71  molprobity  1.000  
  8    8  t80       -51.7   -51.1  Favored     ?     9   44.490    13  0.77    18  0.53  molprobity  1.000  
  9    9  m-85      -73.9   -32.4  Favored     ?     9   43.140    12  0.64    16  0.85  molprobity  1.000  
 10   10  ?         -63.9   -43.8  Favored     ?     5   45.020     5  0.72     7  0.46  molprobity  1.000  
 11   11  OUTLIER   -57.1   -45.8  Favored     ?     5   46.540     6  0.54     8  0.47  molprobity  1.000  
 12   12  mt-30     -56.6   -49.8  Favored     ?     8   49.290     9  0.95    12  0.92  molprobity  1.000  
 13   13  t80       -54.0   -53.1  Favored     ?     9   48.990    13  0.88    18  0.58  molprobity  1.000  
 14   14  t         -69.6   -40.7  Favored     ?     9   44.420     7  0.31    10  0.41  molprobity  1.000  
 15   15  mtp-105   -56.8   -42.0  Favored     ?    13   46.330    11  0.59    14  0.54  molprobity  1.000  
 16   16  mtp-105   -56.8   -42.0  Favored     ?    13   46.330    11  0.59    14  0.54  molprobity  1.000  
 17   17  ?         -75.1   -42.8  Favored     ?     5   50.560     5  0.58     7  0.43  molprobity  1.000  
 18   18  ttt180    -73.6   -38.9  Favored     ?    13   52.420    11  0.48    14  1.19  molprobity  1.000  
 19   19  mm-40     -98.6   -11.0  Favored     ?     6   49.310     9  0.55    12  0.34  molprobity  1.000  
 20   20  ?        -103.3   176.9  Favored     ?     3   46.360     4  0.48     5  0.86  molprobity  1.000  
 21   21  t80      -158.5   134.2  Favored     ?     9   49.550    12  0.76    16  0.69  molprobity  1.000  
 22   22  tt0      -150.3   113.6  Favored     ?     8   64.610     9  0.51    12  0.49  molprobity  1.000  
 23   23  ?         -30.7   -53.3  Allowed     ?     5   53.610     5  0.68     7  0.79  molprobity  1.000  
 24   24  p         -59.5   -19.8  Favored     ?     5   56.320     6  0.89     8  0.71  molprobity  1.000  
 25   25  mm-40    -110.9     1.9  Favored     ?     6   71.360     9  0.65    12  0.65  molprobity  1.000  
 26   26  ?         -57.8   -49.3  Favored     ?     5   51.610     5  0.16     7  0.58  molprobity  1.000  
 27   27  OUTLIER   -58.3   -48.0  Favored     ?     6   73.990     9  0.61    12  0.51  molprobity  1.000  
 28   28  m-20      -62.2   -51.7  Favored     ?     6   63.790     8  0.63    11  0.58  molprobity  1.000  
 29   29  m         -59.1   -35.0  Favored     ?     5   50.400     6  0.53     8  0.53  molprobity  1.000  
 30   30  t80       -65.3   -48.0  Favored     ?     9   49.980    12  0.93    16  0.51  molprobity  1.000  
 31   31  ?         -62.3   -41.5  Favored     ?     2   49.820     5  1.03     7  1.13  molprobity  1.000  
 32   32  tt        -67.0   -48.1  Favored     ?    11   44.270     8  0.44    11  1.22  molprobity  1.000  
 33   33  t         -59.3   -40.0  Favored     ?     9   46.260     7  0.46    10  0.53  molprobity  1.000  
 34   34  m         -62.6   -48.8  Favored     ?     5   46.790     6  0.40     8  0.66  molprobity  1.000  
 35   35  mt        -61.8   -33.8  Favored     ?    11   49.820     8  0.60    11  0.45  molprobity  1.000  
 36   36  mt        -90.4     9.4  Favored     ?    11   52.000     8  0.52    11  1.56  molprobity  1.000  
 37   37  m        -116.0   147.6  Favored     ?     5   46.350     6  1.07     8  0.74  molprobity  1.000  
 38   38  p         -71.4   159.2  Favored     ?     5   53.810     6  0.52     9  0.40  molprobity  1.000  
 39   39  Cg_exo    -38.9   -53.3  Allowed     ?     7   56.310     8  0.64    11  0.49  molprobity  1.000  
 40   40  ?         -74.0   -27.3  Favored     ?     2   58.400     5  0.95     7  0.80  molprobity  1.000  
 41   41  tp10      -81.3   -32.2  Favored     ?     6   57.580     9  1.04    12  0.93  molprobity  1.000  
 42   42  tm0?      -58.9   -39.4  Favored     ?     8   61.810     9  0.54    12  0.56  molprobity  1.000  
 43   43  t-20      -73.6   -37.2  Favored     ?     6   68.240     8  0.39    11  0.53  molprobity  1.000  
 44   44  mtm-85    -61.5   -49.0  Favored     ?    13   59.300    11  0.40    14  0.78  molprobity  1.000  
 45   45  t80       -52.4   -48.6  Favored     ?     9   54.360    12  0.47    16  0.40  molprobity  1.000  
 46   46  ?         -61.4   -45.2  Favored     ?     5   51.360     5  0.55     7  0.79  molprobity  1.000  
 47   47  ?         -61.7   -35.4  Favored     ?     2   50.890     5  0.61     7  1.27  molprobity  1.000  
 48   48  t90       -72.5   -37.3  Favored     ?    10   49.450    16  0.79    23  0.56  molprobity  1.000  
 49   49  t80       -80.2   -16.7  Favored     ?     9   60.540    13  0.66    18  0.67  molprobity  1.000  
 50   50  ?         -51.8   129.8  Favored     ?     5   57.410     5  0.50     7  0.44  molprobity  1.000  
 51   51  ?         -42.9   -23.3  Allowed     ?     3   60.240     4  1.00     5  1.07  molprobity  1.000  
 52   52  m-20      -87.6     3.0  Favored     ?     6   65.050     8  0.40    11  0.67  molprobity  1.000  
 53   53  t-20     -105.3   113.1  Favored     ?     6   54.740     8  0.39    12  0.67  molprobity  1.000  
 54   54  Cg_exo    -48.0   -28.8  Favored     ?     7   52.900     8  0.57    11  0.78  molprobity  1.000  
 55   55  mm-40     -91.4     5.1  Favored     ?     6   58.880     9  0.72    12  0.85  molprobity  1.000  
 56   56  t         -75.8   141.4  Favored     ?     5   50.680     6  0.37     9  0.98  molprobity  1.000  
 57   57  Cg_exo    -54.3   -39.4  Favored     ?     7   46.970     8  0.40    11  0.34  molprobity  1.000  
 58   58  mt-30     -42.9   -43.5  Favored     ?     8   56.510     9  0.56    12  0.78  molprobity  1.000  
 59   59  m-20      -86.7   -56.3  Favored     ?     6   48.450     8  0.90    11  0.79  molprobity  1.000  
 60   60  pt        -67.9   -22.0  Favored     ?    11   52.920     8  0.58    11  0.78  molprobity  1.000  
 61   61  m-85     -111.9    26.2  Favored     ?     9   51.140    13  0.76    18  0.76  molprobity  1.000  
 62   62  t-80      -59.4   125.3  Favored     ?     7   56.590    11  0.46    15  0.59  molprobity  1.000  
 63   63  OUTLIER    74.6    24.5  Allowed     ?     6   68.950     8  0.47    11  0.68  molprobity  1.000  
 64   64  mtt      -136.9   169.1  Favored     ?     9   55.110     8  0.53    10  0.80  molprobity  1.000  
 65   65  mt       -127.0   129.5  Favored     ?    11   50.580     8  0.42    11  0.90  molprobity  1.000  
 66   66  ?        -113.9   126.9  Favored     ?     5   51.790     5  0.16     7  0.61  molprobity  1.000  
 67   67  m        -125.2   126.7  Favored     ?     7   49.880     7  0.77    10  0.81  molprobity  1.000  
 68   68  t         -84.5   133.2  Favored     ?     9   51.380     7  0.57    10  0.94  molprobity  1.000  
 69   69  m        -113.8   123.2  Favored     ?     7   50.500     7  0.51    10  0.93  molprobity  1.000  
 70   70  mm        -74.0   127.3  Favored     ?    11   49.060     8  0.40    11  0.71  molprobity  1.000  
 71   71  mtpt      -87.9   -48.4  Favored     ?    13   51.510     9  0.40    11  0.52  molprobity  1.000  
 72   72  p        -162.5   155.7  Favored     ?     5   53.220     6  0.54     8  0.71  molprobity  1.000  
 73   73  mt       -129.8   117.4  Favored     ?    11   52.180     8  0.52    11  0.61  molprobity  1.000  
 74   74  p        -134.0   162.3  Favored     ?     5   56.470     6  0.79     8  0.68  molprobity  1.000  
 75   75  m-85     -106.8   125.1  Favored     ?     9   57.450    12  0.60    16  0.55  molprobity  1.000  
 76   76  mt        -77.1   -40.2  Favored     ?    11   65.950     8  0.53    11  0.58  molprobity  1.000  
 77   77  p        -146.4  -177.3  Favored     ?     5   64.340     6  0.69     8  0.63  molprobity  1.000  
 78   78  ?         -52.1   -34.5  Favored     ?     2   66.470     5  0.68     7  0.67  molprobity  1.000  
 79   79  p30      -120.0    19.5  Favored     ?     4   77.990     8  0.57    11  0.46  molprobity  1.000  
 80   80  tp       -140.2   104.5  Favored     ?    11   62.280     8  0.45    11  1.37  molprobity  1.000  
 81   81  mt       -107.6   147.6  Favored     ?    11   70.670     8  0.38    11  0.86  molprobity  1.000  
 82   82  tt0      -126.8   121.0  Favored     ?     8   59.340     9  0.52    12  0.41  molprobity  1.000  
 83   83  t        -118.1   110.8  Favored     ?     9   54.750     7  0.46    10  0.69  molprobity  1.000  
 84   84  mtm105    -99.9   130.8  Favored     ?    13   57.350    11  0.41    14  0.85  molprobity  1.000  
 85   85  p90      -151.7   165.5  Favored     ?     9   49.450    13  0.58    18  0.62  molprobity  1.000  
 86   86  p90      -123.4   154.8  Favored     ?     9   54.940    13  0.96    18  0.94  molprobity  1.000  
 87   87  ttmt     -109.2   136.9  Favored     ?    13   61.070     9  0.48    11  0.97  molprobity  1.000  
 88   88  m        -118.2   111.2  Favored     ?     7   55.710     7  0.57    10  0.93  molprobity  1.000  
 89   89  t        -104.9   129.2  Favored     ?     9   55.640     7  0.43    10  0.68  molprobity  1.000  
 90   90  ttp-105  -124.9   145.0  Favored     ?    13   82.280    11  0.44    14  1.12  molprobity  1.000  
 91   91  p30      -126.5  -178.0  Favored     ?     4   68.030     8  0.44    11  1.26  molprobity  1.000  
 92   92  p90       -42.9   -37.3  Allowed     ?     9   76.730    12  0.77    16  0.35  molprobity  1.000  
 93   93  p         -84.6    -4.8  Favored     ?     5   72.330     6  1.15     8  0.78  molprobity  1.000  
 94   94  OUTLIER    71.7     3.7  Favored     ?     6   91.810     9  0.46    12  0.84  molprobity  1.000  
 95   95  ?         -73.1   107.0  Favored     ?     2   83.850     5  0.79     7  0.93  molprobity  1.000  
 96   96  mt-10     -76.6   121.9  Favored     ?     6   77.220     9  0.74    12  0.32  molprobity  1.000  
 97   97  m        -100.0   144.1  Favored     ?     7   63.790     7  0.54    10  0.69  molprobity  1.000  
 98   98  mt       -127.2   134.8  Favored     ?    11   60.510     8  0.35    11  0.58  molprobity  1.000  
 99   99  p        -138.7   161.7  Favored     ?     5   53.060     6  0.67     8  0.85  molprobity  1.000  
100  100  m-70     -118.9   144.1  Favored     ?     7   53.950    11  0.13    15  0.40  molprobity  1.000  
101  101  m95      -152.4   158.7  Favored     ?    10   55.340    16  1.02    23  0.77  molprobity  1.000  
102  102  p        -133.2   134.3  Favored     ?     9   56.120     7  0.44    10  0.65  molprobity  1.000  
103  103  m        -119.2   136.1  Favored     ?     5   54.930     6  0.77     8  0.41  molprobity  1.000  
104  104  mm       -104.3   136.0  Favored     ?    11   55.450     8  0.41    11  1.11  molprobity  1.000  
105  105  mp       -127.8   128.6  Favored     ?    11   52.790     8  0.48    11  1.36  molprobity  1.000  
106  106  OUTLIER   -95.0   122.8  Favored     1     6   59.450     8  0.33    11  0.72  molprobity  1.000  
107  107  p90      -140.0   160.1  Favored     ?     9   55.220    12  0.59    16  0.75  molprobity  1.000  
108  108  p        -155.3   176.0  Favored     ?     5   54.270     6  0.67     8  0.47  molprobity  1.000  
109  109  m-85     -122.1   116.5  Favored     ?     9   53.820    13  1.09    18  0.70  molprobity  1.000  
110  110  m         -94.7   141.1  Favored     ?     9   65.450     7  0.43    10  0.40  molprobity  1.000  
111  111  ?         -93.8    54.8  Favored     ?     2   78.890     5  0.70     7  1.05  molprobity  1.000  
112  112  ?         -82.4  -175.9  Favored     ?     5   85.650     5  0.31     7  0.65  molprobity  1.000  
113  113  t-80     -101.5   110.8  Favored     ?     7   90.920    11  0.27    15  0.30  molprobity  1.000  
114  114  ?         -98.0   136.3  Favored     ?     2   77.330     5  0.65     7  0.62  molprobity  1.000  
115  115  p         -54.9   159.8  Favored     ?     5   67.610     6  0.43     8  0.45  molprobity  1.000  
116  116  m         -51.7   -42.0  Favored     ?     7   70.700     7  0.73    10  0.66  molprobity  1.000  
117  117  p         -82.6   -27.5  Favored     ?     5   67.640     6  0.72     8  0.69  molprobity  1.000  
118  118  m-20      -71.2   -26.7  Favored     ?     4   66.300     8  0.21    11  0.59  molprobity  1.000  
119  119  mtt-85    -67.9   -21.2  Favored     ?    13   71.550    11  0.58    14  1.16  molprobity  1.000  
120  120  mt        -71.5   -14.9  Favored     ?    11   49.400     8  0.42    11  0.90  molprobity  1.000  
121  121  mp        -98.8   -41.3  Favored     ?    11   45.940     8  0.33    11  0.83  molprobity  1.000  
122  122  t-20     -129.4    80.7  Favored     ?     6   46.880     8  0.50    12  0.66  molprobity  1.000  
123  123  Cg_endo   -69.2   -22.4  Favored     ?     7   49.430     8  0.38    11  0.54  molprobity  1.000  
124  124  mt       -126.1    17.2  Favored     ?    11   49.300     8  0.32    11  0.93  molprobity  1.000  
125  125  ?          61.1    42.9  Favored     ?     3   53.500     4  0.68     5  0.27  molprobity  1.000  
126  126  t80       -67.2   140.5  Favored     ?     9   49.860    12  0.81    16  0.75  molprobity  1.000  
127  127  mm-40    -150.6   112.8  Favored     ?     8   59.370     9  0.51    12  0.79  molprobity  1.000  
128  128  t         -89.4   114.8  Favored     ?     9   51.870     7  0.32    10  0.61  molprobity  1.000  
129  129  p         -90.0   -30.4  Favored     ?     5   58.110     6  0.98     8  0.53  molprobity  1.000  
130  130  mt-10    -140.5   150.4  Favored     ?     6   72.940     9  0.45    12  0.55  molprobity  1.000  
131  131  t80      -158.1   139.6  Favored     ?     9   50.950    13  0.93    18  0.31  molprobity  1.000  
132  132  ptm180   -144.5   167.3  Favored     ?    13   68.120    11  0.52    14  1.18  molprobity  1.000  
133  133  t        -145.8   125.9  Favored     ?     5   57.860     6  0.64     8  0.39  molprobity  1.000  
134  134  OUTLIER  -137.0   155.6  Favored     ?     4   67.650     8  0.39    12  0.62  molprobity  1.000  
135  135  Cg_exo    -72.8   167.7  Favored     ?     7   70.210     8  0.33    11  0.49  molprobity  1.000  
136  136  tt0       -98.1   176.2  Favored     ?     6   80.240     9  0.58    12  0.52  molprobity  1.000  
137  137  m             ?       ?  ?           ?     9  106.580     6  0.62     7  0.70  molprobity  1.000  
138  138  ?             ?       ?  ?           ?     ?   49.860     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?     ?   63.430     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?     ?   53.030     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?     ?   44.710     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?     ?   48.820     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?     ?   54.240     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?     ?   66.440     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?     ?   38.230     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?     ?   54.670     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?     ?   41.230     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?     ?   61.160     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?     ?   44.710     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?   38.200     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?     ?   49.040     ?     ?     ?     ?  ?           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  12  HG2   1  0.42  2.34  
2  16  NH2   1  0.42  2.34  
3  32  C     2  0.41  2.41  
4  32  HD23  2  0.41  2.41  
#
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  12  0.890  0.211   0.163  
  2    2   8  0.919  0.175  -0.214  
  3    3   9  0.906  0.177  -0.523  
  4    4   5  0.985  0.173  -0.132  
  5    5   8  0.984  0.203  -0.110  
  6    6   7  0.976  0.163  -0.282  
  7    7  11  0.967  0.169  -0.606  
  8    8  12  0.990  0.184  -0.190  
  9    9  11  0.974  0.184  -0.297  
 10   10   5  0.984  0.184   0.004  
 11   11   6  0.975  0.166  -0.155  
 12   12   9  0.975  0.166  -0.538  
 13   13  12  0.960  0.169  -0.386  
 14   14   7  0.990  0.172  -0.383  
 15   15  19  0.953  0.206  -0.213  
 16   16  19  0.953  0.206  -0.213  
 17   17   5  0.970  0.167  -0.207  
 18   18  11  0.967  0.195  -0.330  
 19   19   9  0.978  0.108  -1.280  
 20   20   4  0.971  0.145  -0.333  
 21   21  11  0.981  0.155  -0.644  
 22   22   9  0.975  0.136  -0.895  
 23   23   5  0.990  0.105  -0.974  
 24   24   6  0.968  0.107  -0.943  
 25   25   9  0.951  0.141  -0.918  
 26   26   5  0.978  0.142  -0.516  
 27   27   9  0.876  0.212  -0.139  
 28   28   8  0.949  0.167  -0.300  
 29   29   6  0.983  0.125  -0.702  
 30   30  11  0.961  0.209   0.002  
 31   31   5  0.926  0.137  -0.945  
 32   32   8  0.982  0.181  -0.414  
 33   33   7  0.976  0.186  -0.210  
 34   34   6  0.976  0.184   0.085  
 35   35   8  0.978  0.151  -0.778  
 36   36   8  0.979  0.154  -0.742  
 37   37   6  0.963  0.159  -0.248  
 38   38   6  0.954  0.110  -0.903  
 39   39   7  0.963  0.175  -0.111  
 40   40   5  0.957  0.184  -0.598  
 41   41   9  0.973  0.223  -0.019  
 42   42   9  0.972  0.198  -0.156  
 43   43   8  0.914  0.312   1.606  
 44   44  11  0.972  0.258   0.338  
 45   45  11  0.980  0.259   0.601  
 46   46   5  0.979  0.191   0.090  
 47   47   5  0.963  0.162  -0.819  
 48   48  14  0.983  0.122  -1.006  
 49   49  12  0.973  0.200   0.020  
 50   50   5  0.980  0.159  -0.306  
 51   51   4  0.972  0.178   0.054  
 52   52   8  0.945  0.172  -0.234  
 53   53   8  0.977  0.103  -1.141  
 54   54   7  0.969  0.179  -0.060  
 55   55   9  0.962  0.126  -1.082  
 56   56   6  0.988  0.120  -0.769  
 57   57   7  0.987  0.134  -0.636  
 58   58   9  0.957  0.149  -0.740  
 59   59   8  0.952  0.169  -0.273  
 60   60   8  0.976  0.193  -0.233  
 61   61  12  0.981  0.147  -0.673  
 62   62  10  0.989  0.118  -0.940  
 63   63   8  0.927  0.196   0.081  
 64   64   8  0.973  0.103  -1.111  
 65   65   8  0.987  0.131  -0.993  
 66   66   5  0.978  0.131  -0.652  
 67   67   7  0.971  0.156  -0.377  
 68   68   7  0.982  0.177  -0.321  
 69   69   7  0.964  0.138  -0.622  
 70   70   8  0.967  0.152  -0.735  
 71   71   9  0.973  0.215  -0.287  
 72   72   6  0.981  0.135  -0.569  
 73   73   8  0.980  0.166  -0.564  
 74   74   6  0.971  0.184   0.085  
 75   75  11  0.971  0.206  -0.034  
 76   76   8  0.938  0.227   0.184  
 77   77   6  0.976  0.118  -0.796  
 78   78   5  0.964  0.135  -1.090  
 79   79   8  0.943  0.224   0.395  
 80   80   8  0.981  0.198  -0.208  
 81   81   8  0.974  0.204  -0.098  
 82   82   9  0.964  0.145  -0.788  
 83   83   7  0.968  0.124  -0.973  
 84   84  11  0.970  0.158  -0.722  
 85   85  12  0.975  0.164  -0.451  
 86   86  12  0.950  0.200   0.020  
 87   87   9  0.942  0.180  -0.639  
 88   88   7  0.964  0.145  -0.527  
 89   89   7  0.984  0.151  -0.641  
 90   90  11  0.909  0.207  -0.203  
 91   91   8  0.969  0.132  -0.748  
 92   92  11  0.935  0.220   0.134  
 93   93   6  0.959  0.119  -0.782  
 94   94   9  0.916  0.271   0.508  
 95   95   5  0.955  0.162  -0.819  
 96   96   9  0.909  0.259   0.376  
 97   97   7  0.966  0.127  -0.771  
 98   98   8  0.958  0.173  -0.478  
 99   99   6  0.975  0.118  -0.796  
100  100  10  0.981  0.140  -0.653  
101  101  14  0.982  0.130  -0.894  
102  102   7  0.982  0.193  -0.124  
103  103   6  0.970  0.146  -0.422  
104  104   8  0.982  0.268   0.686  
105  105   8  0.981  0.195  -0.244  
106  106   8  0.965  0.249   0.778  
107  107  11  0.982  0.162  -0.560  
108  108   6  0.986  0.120  -0.769  
109  109  12  0.976  0.146  -0.686  
110  110   7  0.957  0.167  -0.444  
111  111   5  0.927  0.107  -1.088  
112  112   5  0.951  0.133  -0.627  
113  113  10  0.873  0.194   0.052  
114  114   5  0.950  0.104  -1.324  
115  115   6  0.953  0.143  -0.462  
116  116   7  0.940  0.136  -0.649  
117  117   6  0.954  0.160  -0.235  
118  118   8  0.950  0.132  -0.748  
119  119  11  0.954  0.201  -0.266  
120  120   8  0.986  0.195  -0.244  
121  121   8  0.977  0.175  -0.453  
122  122   8  0.979  0.129  -0.799  
123  123   7  0.988  0.140  -0.560  
124  124   8  0.971  0.189  -0.317  
125  125   4  0.957  0.159  -0.169  
126  126  11  0.973  0.149  -0.716  
127  127   9  0.979  0.132  -0.943  
128  128   7  0.975  0.174  -0.358  
129  129   6  0.962  0.257   1.060  
130  130   9  0.899  0.248   0.255  
131  131  12  0.979  0.156  -0.556  
132  132  11  0.956  0.237   0.116  
133  133   6  0.952  0.116  -0.822  
134  134   8  0.961  0.154  -0.475  
135  135   7  0.980  0.148  -0.457  
136  136   9  0.884  0.139  -0.940  
137  137   7  0.870  0.180  -0.284  
138  138   1  0.650  0.429       ?  
139  139   1  0.770  0.256       ?  
140  140   1  0.695  0.334       ?  
141  141   1  0.757  0.351       ?  
142  142   1  0.732  0.473       ?  
143  143   1  0.691  0.617       ?  
144  144   1  0.829  0.288       ?  
145  145   1  0.898  0.271       ?  
146  146   1  0.306  0.566       ?  
147  147   1  0.932  0.293       ?  
148  148   1  0.621  0.464       ?  
149  149   1  0.923  0.343       ?  
150  150   1  0.858  0.264       ?  
151  151   1  0.922  0.559       ?  
#
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          2.36                                                                  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  
##
