data_1AWU

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  1AWU
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1AWU
_pdbx_vrpt_summary.PDB_deposition_date         1997-10-05
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-08-02
_pdbx_vrpt_summary.report_creation_date        2023-07-26:09:16
_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  "CYCLOPHILIN A"  
2  polymer  "PEPTIDE FROM THE HIV-1 CAPSID PROTEIN"  
3  water    water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
D  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all   x-ray  
2  2.34  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  22.90  141614     ?     ?  
 2  2  1  22.71    2193  2.32  2.36  
 3  1  2   5.67  138981     ?     ?  
 4  2  2   3.15    2159  2.32  2.36  
 5  1  3  64.57  138945     ?     ?  
 6  2  3  75.60    2160  2.32  2.36  
 7  1  4  39.05  127900     ?     ?  
 8  2  4  49.83    2067  2.32  2.36  
 9  1  5   1.01  130704     ?     ?  
10  2  5   0.44    2096  2.32  2.36  
#
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    5.32  
 2  4  2  A  1  1  A    2.69  
 3  5  3  A  1  1  A   81.28  
 4  6  3  A  1  1  A   88.70  
 5  7  4  A  1  1  A   44.79  
 6  8  4  A  1  1  A   55.10  
 7  3  2  B  1  2  B  100.00  
 8  4  2  B  1  2  B  100.00  
 9  5  3  B  1  2  B    0.40  
10  6  3  B  1  2  B    0.19  
11  7  4  B  1  2  B    1.22  
12  8  4  B  1  2  B    2.23  
#
loop_
_pdbx_vrpt_summary_entity_geometry.ordinal
_pdbx_vrpt_summary_entity_geometry.PDB_model_num
_pdbx_vrpt_summary_entity_geometry.entity_id
_pdbx_vrpt_summary_entity_geometry.label_asym_id
_pdbx_vrpt_summary_entity_geometry.auth_asym_id
_pdbx_vrpt_summary_entity_geometry.angles_RMSZ
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ
1  1  1  A  A  0.74  0.50  1286  1723  
2  1  2  B  B  0.92  0.62    43    57  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  2.41
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.47
_pdbx_vrpt_summary_geometry.clashscore                     11.44
_pdbx_vrpt_summary_geometry.num_H_reduce                   1269
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1329
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.51
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1780
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.75
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            68.219
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         25.268
_pdbx_vrpt_summary_diffraction.I_over_sigma              2.07(2.34A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7049
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.314
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.511
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.346
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.873
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-k,-l:0.069
_pdbx_vrpt_summary_diffraction.DCC_R                     0.31
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.34
_pdbx_vrpt_summary_diffraction.EDS_R                     0.30
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.35
_pdbx_vrpt_summary_diffraction.EDS_res_low               14.69
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[34.196,34.196,12.967,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.783
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.60% 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         98.18
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      387
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.49
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.90
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.34
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        15.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.32
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.35
#
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    1  VAL  A  1002  .  ?        ?  
  2  1  1  A    2  ASN  A  1003  .  ?        ?  
  3  1  1  A    3  PRO  A  1004  .  ?        ?  
  4  1  1  A    4  THR  A  1005  .  ?        1  
  5  1  1  A    5  VAL  A  1006  .  ?        ?  
  6  1  1  A    6  PHE  A  1007  .  ?        ?  
  7  1  1  A    7  PHE  A  1008  .  ?        ?  
  8  1  1  A    8  ASP  A  1009  .  ?        ?  
  9  1  1  A    9  ILE  A  1010  .  ?        ?  
 10  1  1  A   10  ALA  A  1011  .  ?        ?  
 11  1  1  A   11  VAL  A  1012  .  ?        2  
 12  1  1  A   12  ASP  A  1013  .  ?        1  
 13  1  1  A   13  GLY  A  1014  .  ?        ?  
 14  1  1  A   14  GLU  A  1015  .  ?        ?  
 15  1  1  A   15  PRO  A  1016  .  ?        ?  
 16  1  1  A   16  LEU  A  1017  .  ?        1  
 17  1  1  A   17  GLY  A  1018  .  ?        ?  
 18  1  1  A   18  ARG  A  1019  .  ?        ?  
 19  1  1  A   19  VAL  A  1020  .  ?        ?  
 20  1  1  A   20  SER  A  1021  .  ?        ?  
 21  1  1  A   21  PHE  A  1022  .  ?        1  
 22  1  1  A   22  GLU  A  1023  .  ?        ?  
 23  1  1  A   23  LEU  A  1024  .  ?        3  
 24  1  1  A   24  PHE  A  1025  .  ?        ?  
 25  1  1  A   25  ALA  A  1026  .  ?        ?  
 26  1  1  A   26  ASP  A  1027  .  ?        ?  
 27  1  1  A   27  LYS  A  1028  .  ?        ?  
 28  1  1  A   28  VAL  A  1029  .  ?        ?  
 29  1  1  A   29  PRO  A  1030  .  ?        ?  
 30  1  1  A   30  LYS  A  1031  .  ?        ?  
 31  1  1  A   31  THR  A  1032  .  ?        ?  
 32  1  1  A   32  ALA  A  1033  .  ?        1  
 33  1  1  A   33  GLU  A  1034  .  ?        ?  
 34  1  1  A   34  ASN  A  1035  .  ?        1  
 35  1  1  A   35  PHE  A  1036  .  ?        2  
 36  1  1  A   36  ARG  A  1037  .  ?        4  
 37  1  1  A   37  ALA  A  1038  .  ?        ?  
 38  1  1  A   38  LEU  A  1039  .  ?        1  
 39  1  1  A   39  SER  A  1040  .  ?        1  
 40  1  1  A   40  THR  A  1041  .  ?        1  
 41  1  1  A   41  GLY  A  1042  .  ?        ?  
 42  1  1  A   42  GLU  A  1043  .  ?        1  
 43  1  1  A   43  LYS  A  1044  .  ?        ?  
 44  1  1  A   44  GLY  A  1045  .  ?        ?  
 45  1  1  A   45  PHE  A  1046  .  ?        ?  
 46  1  1  A   46  GLY  A  1047  .  ?        ?  
 47  1  1  A   47  TYR  A  1048  .  ?        ?  
 48  1  1  A   48  LYS  A  1049  .  ?        ?  
 49  1  1  A   49  GLY  A  1050  .  ?        ?  
 50  1  1  A   50  SER  A  1051  .  ?        ?  
 51  1  1  A   51  CYS  A  1052  .  ?        1  
 52  1  1  A   52  PHE  A  1053  .  ?        ?  
 53  1  1  A   53  HIS  A  1054  .  ?        ?  
 54  1  1  A   54  ARG  A  1055  .  ?        1  
 55  1  1  A   55  ILE  A  1056  .  ?        ?  
 56  1  1  A   56  ILE  A  1057  .  ?        ?  
 57  1  1  A   57  PRO  A  1058  .  ?        ?  
 58  1  1  A   58  GLY  A  1059  .  ?        ?  
 59  1  1  A   59  PHE  A  1060  .  ?        ?  
 60  1  1  A   60  MET  A  1061  .  ?        ?  
 61  1  1  A   61  CYS  A  1062  .  ?        ?  
 62  1  1  A   62  GLN  A  1063  .  ?        ?  
 63  1  1  A   63  GLY  A  1064  .  ?        ?  
 64  1  1  A   64  GLY  A  1065  .  ?        1  
 65  1  1  A   65  ASP  A  1066  .  ?        ?  
 66  1  1  A   66  PHE  A  1067  .  ?        1  
 67  1  1  A   67  THR  A  1068  .  ?        ?  
 68  1  1  A   68  ARG  A  1069  .  ?        1  
 69  1  1  A   69  HIS  A  1070  .  ?        1  
 70  1  1  A   70  ASN  A  1071  .  ?        1  
 71  1  1  A   71  GLY  A  1072  .  ?        ?  
 72  1  1  A   72  THR  A  1073  .  ?        ?  
 73  1  1  A   73  GLY  A  1074  .  ?        ?  
 74  1  1  A   74  GLY  A  1075  .  ?        ?  
 75  1  1  A   75  LYS  A  1076  .  ?        ?  
 76  1  1  A   76  SER  A  1077  .  ?        ?  
 77  1  1  A   77  ILE  A  1078  .  ?        1  
 78  1  1  A   78  TYR  A  1079  .  ?        1  
 79  1  1  A   79  GLY  A  1080  .  ?        ?  
 80  1  1  A   80  GLU  A  1081  .  ?        ?  
 81  1  1  A   81  LYS  A  1082  .  ?        ?  
 82  1  1  A   82  PHE  A  1083  .  ?        ?  
 83  1  1  A   83  GLU  A  1084  .  ?        ?  
 84  1  1  A   84  ASP  A  1085  .  ?        ?  
 85  1  1  A   85  GLU  A  1086  .  ?        ?  
 86  1  1  A   86  ASN  A  1087  .  ?        ?  
 87  1  1  A   87  PHE  A  1088  .  ?        ?  
 88  1  1  A   88  ILE  A  1089  .  ?        ?  
 89  1  1  A   89  LEU  A  1090  .  ?        1  
 90  1  1  A   90  LYS  A  1091  .  ?        ?  
 91  1  1  A   91  HIS  A  1092  .  ?        2  
 92  1  1  A   92  THR  A  1093  .  ?        ?  
 93  1  1  A   93  GLY  A  1094  .  ?        ?  
 94  1  1  A   94  PRO  A  1095  .  ?        ?  
 95  1  1  A   95  GLY  A  1096  .  ?        ?  
 96  1  1  A   96  ILE  A  1097  .  ?        ?  
 97  1  1  A   97  LEU  A  1098  .  ?        ?  
 98  1  1  A   98  SER  A  1099  .  ?        ?  
 99  1  1  A   99  MET  A  1100  .  ?        ?  
100  1  1  A  100  ALA  A  1101  .  ?        ?  
101  1  1  A  101  ASN  A  1102  .  ?        ?  
102  1  1  A  102  ALA  A  1103  .  ?        ?  
103  1  1  A  103  GLY  A  1104  .  ?        ?  
104  1  1  A  104  PRO  A  1105  .  ?        ?  
105  1  1  A  105  ASN  A  1106  .  ?        ?  
106  1  1  A  106  THR  A  1107  .  ?        ?  
107  1  1  A  107  ASN  A  1108  .  ?        ?  
108  1  1  A  108  GLY  A  1109  .  ?        ?  
109  1  1  A  109  SER  A  1110  .  ?        ?  
110  1  1  A  110  GLN  A  1111  .  ?        1  
111  1  1  A  111  PHE  A  1112  .  ?        ?  
112  1  1  A  112  PHE  A  1113  .  ?        ?  
113  1  1  A  113  ILE  A  1114  .  ?        ?  
114  1  1  A  114  CYS  A  1115  .  ?        ?  
115  1  1  A  115  THR  A  1116  .  ?        ?  
116  1  1  A  116  ALA  A  1117  .  ?        ?  
117  1  1  A  117  LYS  A  1118  .  ?        ?  
118  1  1  A  118  THR  A  1119  .  ?        ?  
119  1  1  A  119  GLU  A  1120  .  ?        ?  
120  1  1  A  120  TRP  A  1121  .  ?        ?  
121  1  1  A  121  LEU  A  1122  .  ?        ?  
122  1  1  A  122  ASP  A  1123  .  ?        ?  
123  1  1  A  123  GLY  A  1124  .  ?        ?  
124  1  1  A  124  LYS  A  1125  .  ?        ?  
125  1  1  A  125  HIS  A  1126  .  ?        ?  
126  1  1  A  126  VAL  A  1127  .  ?        ?  
127  1  1  A  127  VAL  A  1128  .  ?        1  
128  1  1  A  128  PHE  A  1129  .  ?        ?  
129  1  1  A  129  GLY  A  1130  .  ?        ?  
130  1  1  A  130  LYS  A  1131  .  ?        ?  
131  1  1  A  131  VAL  A  1132  .  ?        ?  
132  1  1  A  132  LYS  A  1133  .  ?        ?  
133  1  1  A  133  GLU  A  1134  .  ?        ?  
134  1  1  A  134  GLY  A  1135  .  ?        1  
135  1  1  A  135  MET  A  1136  .  ?        ?  
136  1  1  A  136  ASN  A  1137  .  ?        1  
137  1  1  A  137  ILE  A  1138  .  ?        1  
138  1  1  A  138  VAL  A  1139  .  ?        ?  
139  1  1  A  139  GLU  A  1140  .  ?        ?  
140  1  1  A  140  ALA  A  1141  .  ?        ?  
141  1  1  A  141  MET  A  1142  .  ?        1  
142  1  1  A  142  GLU  A  1143  .  ?        2  
143  1  1  A  143  ARG  A  1144  .  ?        ?  
144  1  1  A  144  PHE  A  1145  .  ?        2  
145  1  1  A  145  GLY  A  1146  .  ?        ?  
146  1  1  A  146  SER  A  1147  .  ?        ?  
147  1  1  A  147  ARG  A  1148  .  ?        ?  
148  1  1  A  148  ASN  A  1149  .  ?        ?  
149  1  1  A  149  GLY  A  1150  .  ?        1  
150  1  1  A  150  LYS  A  1151  .  ?        ?  
151  1  1  A  151  THR  A  1152  .  ?        ?  
152  1  1  A  152  SER  A  1153  .  ?        ?  
153  1  1  A  153  LYS  A  1154  .  ?        ?  
154  1  1  A  154  LYS  A  1155  .  ?        ?  
155  1  1  A  155  ILE  A  1156  .  ?        3  
156  1  1  A  156  THR  A  1157  .  ?        1  
157  1  1  A  157  ILE  A  1158  .  ?        1  
158  1  1  A  158  ALA  A  1159  .  ?        ?  
159  1  1  A  159  ASP  A  1160  .  ?        ?  
160  1  1  A  160  CYS  A  1161  .  ?        1  
161  1  1  A  161  GLY  A  1162  .  ?        ?  
162  1  1  A  162  GLN  A  1163  .  ?        ?  
163  1  1  A  163  LEU  A  1164  .  ?        ?  
164  1  1  A  164  GLU  A  1165  .  ?        ?  
165  1  2  B    1  HIS  B     1  .  ?        ?  
166  1  2  B    2  VAL  B     2  .  ?        ?  
167  1  2  B    3  GLY  B     3  .  ?        ?  
168  1  2  B    4  PRO  B     4  .  ?        ?  
169  1  2  B    5  ILE  B     5  .  ?        ?  
170  1  2  B    6  ALA  B     6  .  ?        ?  
171  1  3  C    .  HOH  A   201  .  ?        ?  
172  1  3  C    .  HOH  A   202  .  ?        ?  
173  1  3  C    .  HOH  A   204  .  ?        ?  
174  1  3  C    .  HOH  A   205  .  ?        ?  
175  1  3  C    .  HOH  A   206  .  ?        ?  
176  1  3  C    .  HOH  A   208  .  ?        ?  
177  1  3  C    .  HOH  A   209  .  ?        ?  
178  1  3  C    .  HOH  A   210  .  ?        ?  
179  1  3  C    .  HOH  A   211  .  ?        ?  
180  1  3  C    .  HOH  A   212  .  ?        ?  
181  1  3  C    .  HOH  A   213  .  ?        ?  
182  1  3  D    .  HOH  B   203  .  ?        ?  
183  1  3  D    .  HOH  B   207  .  ?        ?  
#
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             ?       ?  ?           ?     8   0.000     7  0.65    10  0.50  molprobity  0.000  
  2    2  m-80      -74.6   123.9  Favored     ?     6   0.000     8  0.28    12  0.47  molprobity  0.000  
  3    3  Cg_exo    -56.3   157.3  Favored     ?     7  14.300     8  0.60    11  0.91  molprobity  1.000  
  4    4  m        -139.9   122.2  Favored     ?     7  18.860     7  0.29    10  1.07  molprobity  1.000  
  5    5  m        -123.1   176.2  Favored     ?     9   8.160     7  0.97    10  0.89  molprobity  1.000  
  6    6  p90      -155.5   168.4  Favored     ?     9  10.290    12  0.71    16  0.61  molprobity  1.000  
  7    7  m-30     -132.2   140.3  Favored     ?     9  17.910    12  0.72    16  1.03  molprobity  1.000  
  8    8  m-20     -108.3    97.1  Favored     ?     4  32.950     8  0.29    11  0.77  molprobity  1.000  
  9    9  mm        -73.5   149.9  Favored     ?    11  26.490     8  0.43    11  0.75  molprobity  1.000  
 10   10  ?        -136.1   162.4  Favored     ?     5  35.280     5  0.29     7  0.73  molprobity  1.000  
 11   11  t        -134.9    73.4  Allowed     ?     9  33.240     7  0.36    10  0.58  molprobity  1.000  
 12   12  m-20       69.5    65.8  Allowed     ?     4  48.780     8  0.29    11  0.61  molprobity  1.000  
 13   13  ?          85.5   -76.3  Favored     ?     3  44.040     4  0.35     5  0.98  molprobity  1.000  
 14   14  tt0       -44.9    97.7  Allowed     ?     6  47.490     9  0.84    13  0.66  molprobity  1.000  
 15   15  Cg_endo   -50.7   146.6  Favored     ?     7  45.530     8  0.40    11  0.74  molprobity  1.000  
 16   16  tp       -105.8   -69.5  Allowed     ?    11  44.330     8  0.27    11  0.73  molprobity  1.000  
 17   17  ?        -178.8  -159.6  Favored     ?     3  19.080     4  0.54     5  0.40  molprobity  1.000  
 18   18  ttm180   -120.4   145.3  Favored     ?    13  11.450    11  0.51    14  0.61  molprobity  1.000  
 19   19  t        -130.9   124.0  Favored     ?     9  10.340     7  0.69    10  1.35  molprobity  1.000  
 20   20  p        -114.3   160.3  Favored     ?     5   6.060     6  0.58     8  1.06  molprobity  1.000  
 21   21  m-85     -141.3   153.8  Favored     ?     9   4.360    12  0.93    16  0.73  molprobity  1.000  
 22   22  tt0      -103.3    97.3  Favored     ?     6  19.530     9  0.66    12  0.73  molprobity  1.000  
 23   23  mt        -62.8   162.1  Favored     ?    11  15.900     8  0.38    11  0.96  molprobity  1.000  
 24   24  m-85     -107.0   135.1  Favored     ?     9  33.590    12  0.35    16  0.39  molprobity  1.000  
 25   25  ?         -88.7   -76.6  Allowed     ?     5   0.000     5  0.17     7  0.58  molprobity  0.000  
 26   26  p-10      -57.9   -25.1  Favored     ?     4   0.000     8  0.16    11  0.44  molprobity  0.000  
 27   27  mttt      -81.5   -52.3  Favored     ?    13   0.000     9  0.19    11  0.23  molprobity  0.000  
 28   28  m        -132.1    86.5  Favored     ?     9   0.000     7  0.25    11  0.58  molprobity  0.000  
 29   29  Cg_endo   -74.0   -15.4  Favored     ?     7   0.000     8  0.20    11  0.62  molprobity  0.000  
 30   30  tttp     -112.9   -25.1  Favored     ?    13   0.000     9  0.21    11  0.41  molprobity  0.000  
 31   31  m         -83.5   -40.8  Favored     ?     7  35.590     7  0.39    10  0.73  molprobity  0.571  
 32   32  ?         -66.9   -43.6  Favored     ?     5  23.790     5  0.79     7  0.37  molprobity  1.000  
 33   33  tp10      -56.4   -37.0  Favored     ?     6  25.950     9  0.39    12  0.59  molprobity  0.444  
 34   34  t30       -59.6   -57.4  Favored     ?     6  30.810     8  0.43    11  0.73  molprobity  1.000  
 35   35  t80       -63.4   -33.1  Favored     ?     9  19.170    12  0.44    16  0.35  molprobity  1.000  
 36   36  ttp85     -64.5   -60.8  Favored     ?    13  31.840    11  0.26    14  0.67  molprobity  1.000  
 37   37  ?         -57.6   -16.8  Favored     ?     5  24.770     5  0.25     7  0.42  molprobity  1.000  
 38   38  mt        -95.0   -40.0  Favored     ?    11  32.050     8  0.40    11  0.59  molprobity  1.000  
 39   39  m         -57.2   -37.7  Favored     ?     5  31.120     6  0.28     8  0.89  molprobity  1.000  
 40   40  m         -66.8   -54.1  Favored     ?     7  25.580     7  0.57    10  0.70  molprobity  1.000  
 41   41  ?          97.8    31.9  Favored     ?     3   0.000     4  0.21     5  2.29  molprobity  0.000  
 42   42  tt0       -62.2    11.8  OUTLIER     ?     6  34.550     9  0.53    12  1.46  molprobity  1.000  
 43   43  mptt     -156.5    26.0  Allowed     ?    13  28.680     9  0.33    11  0.94  molprobity  1.000  
 44   44  ?          86.3    -5.4  Favored     ?     3  25.890     4  0.37     5  0.76  molprobity  1.000  
 45   45  p90      -149.9   151.9  Favored     ?     9  22.070    12  0.86    16  0.57  molprobity  1.000  
 46   46  ?         162.1  -168.3  Favored     ?     3  13.850     4  0.72     5  1.98  molprobity  1.000  
 47   47  m-85      -72.3    -3.7  Favored     ?     9  16.460    13  0.52    18  0.66  molprobity  1.000  
 48   48  tttp      -59.3   113.2  Favored     ?    13  32.660     9  0.44    11  0.61  molprobity  0.556  
 49   49  ?          93.3   -22.3  Favored     ?     3  41.160     4  0.35     5  0.47  molprobity  1.000  
 50   50  p         -63.1   170.2  Favored     ?     5  31.970     6  0.58     8  0.62  molprobity  1.000  
 51   51  p        -132.9  -177.2  Favored     ?     5  30.060     6  0.60     8  1.49  molprobity  1.000  
 52   52  m-85     -103.9    87.9  Favored     ?     9  24.580    12  0.64    16  0.53  molprobity  1.000  
 53   53  p-80      -71.6   -29.1  Favored     ?     7  16.650    11  0.26    15  0.51  molprobity  1.000  
 54   54  ttt-85   -126.4   100.4  Favored     ?    13  15.400    11  0.79    14  0.78  molprobity  1.000  
 55   55  mt       -119.2   120.7  Favored     ?    11  12.490     8  0.34    11  1.19  molprobity  1.000  
 56   56  mt       -117.7   103.5  Favored     ?    11  18.140     8  0.50    12  0.67  molprobity  1.000  
 57   57  Cg_exo    -50.7   121.5  Favored     ?     7  27.050     8  0.23    11  0.64  molprobity  1.000  
 58   58  ?          95.3   -10.2  Favored     ?     3  18.930     4  0.15     5  0.42  molprobity  1.000  
 59   59  t80      -119.7   -67.5  Allowed     ?     9  10.510    12  0.63    16  0.54  molprobity  1.000  
 60   60  OUTLIER  -169.1   169.3  Favored     ?     9  10.510     8  0.56    10  1.19  molprobity  1.000  
 61   61  m        -121.0   130.2  Favored     ?     5  11.330     6  1.08     8  1.33  molprobity  1.000  
 62   62  tt0      -120.3   142.7  Favored     ?     8   8.980     9  0.71    12  0.72  molprobity  1.000  
 63   63  ?        -163.3  -171.1  Favored     ?     3   9.110     4  0.21     5  0.96  molprobity  1.000  
 64   64  ?         120.9   -22.6  Favored     ?     3   9.220     4  0.33     5  0.76  molprobity  1.000  
 65   65  t0        -86.2    95.0  Favored     ?     4  37.980     8  0.25    11  0.87  molprobity  1.000  
 66   66  p90       -86.5    -7.1  Favored     ?     9  21.890    12  0.73    16  0.55  molprobity  1.000  
 67   67  m         -84.8   -71.2  Allowed     ?     7  42.910     7  0.39    10  0.91  molprobity  1.000  
 68   68  mtt85     -99.0   -10.8  Favored     ?    13  44.660    11  0.15    14  0.47  molprobity  0.455  
 69   69  m80        50.5    62.7  Favored     1     7  54.710    11  0.22    15  0.31  molprobity  1.000  
 70   70  p30      -161.8   -41.9  OUTLIER     ?     6  40.860     8  0.43    11  0.43  molprobity  1.000  
 71   71  ?         136.3    24.4  Allowed     ?     3  29.520     4  0.21     5  0.54  molprobity  1.000  
 72   72  p        -126.5   -33.2  Favored     ?     7  32.280     7  0.63    10  0.74  molprobity  1.000  
 73   73  ?         -85.7  -149.6  Favored     ?     3  48.610     4  0.36     5  0.93  molprobity  1.000  
 74   74  ?          86.8   177.5  Favored     ?     3  42.390     4  0.58     5  1.38  molprobity  1.000  
 75   75  pttt      174.4   143.1  OUTLIER     ?    13  39.300     9  0.28    11  0.64  molprobity  1.000  
 76   76  p         -73.1  -177.7  Favored     ?     5  34.050     6  0.41     8  0.34  molprobity  1.000  
 77   77  pt        -85.7     5.7  Favored     ?    11  44.980     8  0.27    11  0.50  molprobity  1.000  
 78   78  m-85     -114.9    45.4  Allowed     ?     9  57.140    13  0.55    18  0.42  molprobity  1.000  
 79   79  ?          96.2   -84.6  Allowed     ?     3   0.000     4  0.24     5  0.28  molprobity  0.000  
 80   80  mt-10    -143.1   -43.3  Allowed     ?     6   0.000     9  0.19    12  0.62  molprobity  0.000  
 81   81  pttp     -136.1   162.5  Favored     ?    13  25.060     9  0.35    11  0.66  molprobity  0.444  
 82   82  p90      -157.5   145.5  Favored     ?     9  14.070    12  1.00    16  0.49  molprobity  1.000  
 83   83  pt-20     -43.1   164.9  OUTLIER     ?     6  30.690     9  0.25    12  0.70  molprobity  0.444  
 84   84  m-20      -75.5   110.5  Favored     ?     4  36.360     8  0.25    11  1.08  molprobity  0.500  
 85   85  tp10      -47.5   -69.8  Allowed     ?     6  38.530     9  0.33    12  0.30  molprobity  0.444  
 86   86  p30      -162.8  -178.5  Favored     ?     6  33.770     8  0.38    11  0.72  molprobity  0.500  
 87   87  m-85     -137.4    36.4  Favored     ?     9  28.600    12  0.84    16  0.78  molprobity  1.000  
 88   88  mt        -68.8   -32.7  Favored     ?    11  34.340     8  0.27    11  0.56  molprobity  1.000  
 89   89  mt       -102.3   141.3  Favored     ?    11  30.720     8  0.25    11  0.47  molprobity  1.000  
 90   90  mttt     -116.1   152.2  Favored     ?    13  47.920     9  0.26    11  0.91  molprobity  1.000  
 91   91  m-70      -69.1    67.4  Allowed     1     7  23.950    11  0.22    15  0.46  molprobity  1.000  
 92   92  p         -63.9   -30.3  Favored     ?     7  28.730     7  0.47    10  1.40  molprobity  1.000  
 93   93  ?         178.4  -176.2  Favored     ?     3   9.620     4  0.31     6  0.73  molprobity  1.000  
 94   94  Cg_exo    -50.1   144.8  Favored     ?     7  13.680     8  0.22    11  0.48  molprobity  1.000  
 95   95  ?          90.5   -18.3  Favored     ?     3  17.460     4  0.38     5  0.30  molprobity  1.000  
 96   96  mm        -57.6   124.3  Favored     ?    11  12.260     8  0.52    11  0.88  molprobity  1.000  
 97   97  tp        -95.3   132.2  Favored     ?    11  13.140     8  0.48    11  1.33  molprobity  1.000  
 98   98  t        -147.6   150.1  Favored     ?     5  13.490     6  0.40     8  0.60  molprobity  1.000  
 99   99  mmm       -74.0   128.8  Favored     ?     9  12.880     8  0.34    10  0.72  molprobity  1.000  
100  100  ?         -86.7   148.8  Favored     ?     5  14.150     5  0.63     7  1.03  molprobity  1.000  
101  101  p30      -155.6  -168.4  Favored     ?     6  16.920     8  0.49    11  0.58  molprobity  1.000  
102  102  ?        -137.9    69.3  Allowed     ?     5  17.670     5  0.51     7  1.24  molprobity  1.000  
103  103  ?          84.3  -168.8  Favored     ?     3   0.000     4  0.27     6  0.88  molprobity  0.000  
104  104  Cg_exo    -69.1   145.1  Favored     ?     7   0.000     8  0.19    11  0.86  molprobity  0.000  
105  105  m-20       61.7    30.2  Favored     ?     6  24.740     8  0.56    11  0.74  molprobity  0.625  
106  106  p        -124.6    48.1  Favored     ?     7  21.320     7  0.83    10  0.84  molprobity  1.000  
107  107  m-80      -90.8   114.8  Favored     ?     6  18.560     8  0.33    11  0.53  molprobity  1.000  
108  108  ?        -103.9  -113.0  Favored     ?     3  23.980     4  0.62     5  1.23  molprobity  1.000  
109  109  p        -118.0   -13.5  Favored     ?     5  20.310     6  0.46     8  0.78  molprobity  1.000  
110  110  mt-30     -69.8   143.4  Favored     ?     8  14.090     9  0.42    12  0.84  molprobity  1.000  
111  111  p90      -152.9   170.7  Favored     ?     9   4.310    12  0.64    16  0.61  molprobity  1.000  
112  112  p90      -144.1   150.0  Favored     ?     9   2.810    12  0.59    16  0.60  molprobity  1.000  
113  113  mt       -110.0   111.6  Favored     ?    11   9.720     8  0.47    11  0.95  molprobity  1.000  
114  114  m         -69.1   144.1  Favored     ?     5  19.010     6  1.40     8  0.86  molprobity  1.000  
115  115  p        -124.1    28.8  Favored     ?     7  21.040     7  0.27    10  0.72  molprobity  1.000  
116  116  ?        -178.3   173.6  Allowed     ?     5  12.760     5  0.56     7  0.83  molprobity  1.000  
117  117  ttpm?     -76.9   118.3  Favored     ?    13  36.850     9  0.32    11  0.62  molprobity  1.000  
118  118  p        -113.5    63.3  Allowed     ?     7  15.490     7  0.36    10  0.53  molprobity  1.000  
119  119  pm0       -57.6   -36.4  Favored     ?     6  38.240     9  0.52    12  1.06  molprobity  1.000  
120  120  p90       -60.1   -16.8  Favored     ?    10  19.850    16  0.46    23  0.37  molprobity  1.000  
121  121  mt        -80.8   -12.7  Favored     ?    11  11.220     8  0.34    11  0.82  molprobity  1.000  
122  122  m-20      -63.1   125.6  Favored     ?     4  27.520     8  0.36    11  0.73  molprobity  1.000  
123  123  ?          96.2   -33.1  Favored     ?     3  33.370     4  0.59     5  0.63  molprobity  1.000  
124  124  mtpt      -86.1   -32.1  Favored     ?    13  33.200     9  0.62    11  0.59  molprobity  1.000  
125  125  m-70     -125.2   132.5  Favored     ?     7  20.230    11  0.28    15  0.59  molprobity  1.000  
126  126  t         -73.8   112.0  Favored     ?     9  14.730     7  0.46    10  0.70  molprobity  1.000  
127  127  t         -87.5   125.1  Favored     ?     9  27.780     7  0.54    10  0.59  molprobity  1.000  
128  128  p90      -139.3    23.3  Favored     ?     9  20.790    12  0.43    16  0.86  molprobity  1.000  
129  129  ?         177.5   176.2  Favored     ?     3  17.740     4  0.49     5  0.59  molprobity  1.000  
130  130  ttpm?    -158.3   143.0  Favored     ?    13  19.200     9  0.34    11  0.55  molprobity  0.556  
131  131  t         -59.4   132.2  Favored     ?     9  18.460     7  0.75    10  0.87  molprobity  1.000  
132  132  mtpm?     -90.3   -48.9  Favored     ?    13  16.840     9  0.76    11  0.54  molprobity  1.000  
133  133  tm-20    -155.1   157.7  Favored     ?     6  11.760     9  0.43    12  0.79  molprobity  0.556  
134  134  ?          95.6    15.2  Favored     ?     3  26.550     4  0.52     5  0.80  molprobity  1.000  
135  135  tpt       -71.0     0.4  Favored     ?     9  32.650     8  0.33    10  0.93  molprobity  1.000  
136  136  p-10      -93.2   -30.6  Favored     ?     6  28.280     8  0.35    11  0.60  molprobity  0.625  
137  137  mm        -74.9   -34.9  Favored     ?    11  34.480     8  0.28    11  0.81  molprobity  1.000  
138  138  t         -65.0   -52.9  Favored     ?     9  22.660     7  0.38    10  0.52  molprobity  1.000  
139  139  mt-10     -63.5    -5.3  Favored     ?     6  39.400     9  0.49    12  0.74  molprobity  1.000  
140  140  ?        -101.4   -21.1  Favored     ?     5  36.990     5  0.46     7  0.37  molprobity  1.000  
141  141  mtm       -77.9   -12.7  Favored     ?     9  34.990     8  0.56    10  0.89  molprobity  1.000  
142  142  mt-10     -73.3   -36.8  Favored     ?     6  38.040     9  0.47    12  0.52  molprobity  1.000  
143  143  ttm180    -59.6    -0.4  Allowed     ?    13   0.000    11  0.19    14  0.47  molprobity  0.000  
144  144  m-85     -121.6    20.2  Favored     ?     9  51.590    12  0.81    16  0.44  molprobity  1.000  
145  145  ?        -102.5  -154.2  Favored     ?     3  42.400     4  0.17     5  0.47  molprobity  1.000  
146  146  p        -172.3  -173.2  Allowed     ?     5  36.230     6  0.39     8  0.39  molprobity  1.000  
147  147  mmp_?     -70.5   -48.8  Favored     ?    13  36.040    11  0.32    14  0.42  molprobity  0.364  
148  148  p30       -80.9   -15.6  Favored     ?     6  26.650     8  0.46    11  0.42  molprobity  1.000  
149  149  ?         108.0     2.9  Favored     ?     3  37.060     4  0.28     5  0.22  molprobity  1.000  
150  150  ttpt      -73.0   126.7  Favored     ?    13  48.090     9  0.39    11  0.75  molprobity  1.000  
151  151  m         -66.4   113.4  Favored     ?     7  45.760     7  0.61    10  0.53  molprobity  1.000  
152  152  m         -62.4   -13.2  Favored     ?     5  42.130     6  0.42     8  0.40  molprobity  1.000  
153  153  mttm     -141.3  -109.2  Allowed     ?    13   0.000     9  0.23    11  0.25  molprobity  0.000  
154  154  tptt     -167.5    89.8  Allowed     ?    13   0.000     9  0.20    11  0.44  molprobity  0.000  
155  155  mm        -87.0   118.4  Favored     ?    11  31.800     8  0.23    11  0.61  molprobity  1.000  
156  156  m        -118.6   155.8  Favored     ?     7  24.940     7  0.44    10  0.86  molprobity  1.000  
157  157  mt        -98.5    77.5  Allowed     ?    11  18.280     8  0.52    11  1.32  molprobity  1.000  
158  158  ?         -54.5   -13.6  Allowed     ?     5  26.100     5  0.20     7  0.51  molprobity  1.000  
159  159  t0        178.4   169.2  Allowed     ?     4  32.810     8  0.29    11  0.65  molprobity  1.000  
160  160  p        -176.5   154.7  Allowed     ?     5  16.350     6  0.76     8  0.53  molprobity  1.000  
161  161  ?         177.9   176.9  Favored     ?     3  10.650     4  0.41     5  0.37  molprobity  1.000  
162  162  tt0      -105.2   122.5  Favored     ?     8  12.740     9  0.61    12  0.65  molprobity  1.000  
163  163  mt        -95.3   -23.6  Favored     ?    11  15.480     8  0.21    11  0.67  molprobity  1.000  
164  164  tt0           ?       ?  ?           ?     6  26.280     9  0.83     9  0.67  molprobity  1.000  
165  165  OUTLIER       ?       ?  ?           ?     9  21.120    11  0.66    15  0.80  molprobity  1.000  
166  166  t         -98.5   145.8  Favored     ?     9  18.340     7  0.62    10  0.87  molprobity  1.000  
167  167  ?         139.8   140.4  Favored     ?     3  22.570     4  0.20     6  0.87  molprobity  1.000  
168  168  Cg_endo   -75.5   156.9  Favored     ?     7  12.870     8  0.51    11  0.76  molprobity  1.000  
169  169  pp       -117.7   153.2  Favored     ?    11  20.950     8  0.56    11  1.06  molprobity  1.000  
170  170  ?             ?       ?  ?           ?     5  39.350     5  0.94     4  1.41  molprobity  1.000  
171  171  ?             ?       ?  ?           ?     ?  24.030     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?  11.780     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?  31.550     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?  26.440     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?  19.600     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?  15.800     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?  27.780     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?  45.820     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?     ?  35.410     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?     ?  23.200     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?     ?  21.890     ?     ?     ?     ?  ?           1.000  
182  182  ?             ?       ?  ?           ?     ?  18.530     ?     ?     ?     ?  ?           1.000  
183  183  ?             ?       ?  ?           ?     ?  27.060     ?     ?     ?     ?  ?           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    4  HA     1  0.40  2.22  
 2   11  HG21   2  0.49  1.94  
 3   11  O      3  0.46  2.15  
 4   12  HB2    3  0.46  2.15  
 5   16  HD13   2  0.49  1.94  
 6   21  O      1  0.40  2.22  
 7   23  HD21   4  0.66  2.31  
 8   23  HD21   5  0.57  1.67  
 9   23  HB3    6  0.55  1.88  
10   32  HB1    6  0.55  1.88  
11   34  O      7  0.40  2.21  
12   35  CD2    4  0.66  2.31  
13   35  HD2    5  0.57  1.67  
14   36  HG2    8  0.55  1.72  
15   36  HG2    9  0.43  2.32  
16   36  HH11   8  0.55  1.72  
17   36  NH1    9  0.43  2.32  
18   38  HG     7  0.40  2.21  
19   39  O     10  0.55  2.65  
20   40  HG22  11  0.43  2.34  
21   42  N     11  0.43  2.34  
22   51  HB2   12  0.45  2.17  
23   54  HA    13  0.52  2.10  
24   64  HA3   14  0.42  2.01  
25   66  O     15  0.46  2.69  
26   68  HB3   16  0.45  1.81  
27   69  CE1   15  0.46  2.69  
28   70  HD21  16  0.45  1.81  
29   77  HG13  17  0.43  2.54  
30   78  CE1   17  0.43  2.54  
31   89  HB3   18  0.49  1.93  
32   91  H     19  0.43  2.37  
33   91  CD2   19  0.43  2.37  
34  110  HA    14  0.42  2.01  
35  127  HB    18  0.49  1.93  
36  134  C     20  0.45  2.20  
37  136  H     20  0.45  2.20  
38  137  O     21  0.44  2.17  
39  141  HG3   21  0.44  2.17  
40  142  C     22  0.48  2.14  
41  142  C     23  0.42  2.73  
42  144  H     22  0.48  2.14  
43  144  N     23  0.42  2.73  
44  149  O     13  0.52  2.10  
45  155  O     12  0.45  2.17  
46  155  HD13  24  0.40  2.37  
47  155  N     24  0.40  2.37  
48  156  HG22  25  0.42  2.34  
49  157  N     25  0.42  2.34  
50  160  SG    10  0.55  2.65  
#
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   0      ?      ?       ?  
  2    2   0      ?      ?       ?  
  3    3   7  0.920  0.126  -0.078  
  4    4   7  0.894  0.140   0.105  
  5    5   7  0.929  0.180   0.756  
  6    6  11  0.924  0.144   0.145  
  7    7  11  0.944  0.132  -0.081  
  8    8   8  0.907  0.150   0.063  
  9    9   8  0.869  0.208   1.170  
 10   10   5  0.902  0.201   1.254  
 11   11   7  0.814  0.253   2.128  
 12   12   8  0.684  0.179   0.496  
 13   13   4  0.811  0.297   2.716  
 14   14   9  0.728  0.286   1.533  
 15   15   7  0.752  0.214   1.421  
 16   16   8  0.826  0.202   1.033  
 17   17   4  0.942  0.137   0.131  
 18   18  11  0.928  0.146  -0.239  
 19   19   7  0.945  0.129  -0.203  
 20   20   6  0.934  0.125  -0.162  
 21   21  11  0.906  0.139   0.051  
 22   22   9  0.829  0.190   0.263  
 23   23   8  0.874  0.162   0.297  
 24   24  11  0.821  0.177   0.768  
 25   25   0      ?      ?       ?  
 26   26   0      ?      ?       ?  
 27   27   0      ?      ?       ?  
 28   28   0      ?      ?       ?  
 29   29   0      ?      ?       ?  
 30   30   0      ?      ?       ?  
 31   31   4  0.663  0.222   1.547  
 32   32   5  0.878  0.186   0.988  
 33   33   4  0.879  0.113  -0.755  
 34   34   8  0.884  0.153   0.159  
 35   35  11  0.930  0.165   0.542  
 36   36  11  0.875  0.137  -0.368  
 37   37   5  0.897  0.198   1.201  
 38   38   8  0.851  0.244   1.807  
 39   39   6  0.860  0.169   0.565  
 40   40   7  0.852  0.160   0.457  
 41   41   0      ?      ?       ?  
 42   42   9  0.764  0.180   0.131  
 43   43   9  0.872  0.153  -0.320  
 44   44   4  0.913  0.155   0.422  
 45   45  11  0.801  0.225   1.674  
 46   46   4  0.886  0.169   0.648  
 47   47  12  0.924  0.135   0.039  
 48   48   5  0.794  0.237   0.801  
 49   49   4  0.783  0.208   1.278  
 50   50   6  0.825  0.166   0.516  
 51   51   6  0.898  0.138   0.415  
 52   52  11  0.891  0.187   0.957  
 53   53  10  0.922  0.129  -0.136  
 54   54  11  0.940  0.158  -0.066  
 55   55   8  0.922  0.163   0.330  
 56   56   8  0.901  0.157   0.218  
 57   57   7  0.911  0.123  -0.129  
 58   58   4  0.966  0.110  -0.305  
 59   59  11  0.938  0.133  -0.062  
 60   60   8  0.964  0.116  -0.360  
 61   61   6  0.912  0.131   0.266  
 62   62   9  0.961  0.129  -0.408  
 63   63   4  0.913  0.163   0.551  
 64   64   4  0.952  0.111  -0.289  
 65   65   8  0.909  0.213   1.003  
 66   66  11  0.819  0.209   1.372  
 67   67   7  0.797  0.243   1.916  
 68   68   5  0.802  0.169   0.092  
 69   69  10  0.755  0.209   1.177  
 70   70   8  0.891  0.168   0.390  
 71   71   4  0.916  0.131   0.034  
 72   72   7  0.900  0.201   1.178  
 73   73   4  0.777  0.269   2.263  
 74   74   4  0.907  0.194   1.052  
 75   75   9  0.800  0.210   0.441  
 76   76   6  0.818  0.251   1.921  
 77   77   8  0.844  0.207   1.151  
 78   78  12  0.381  0.328   3.809  
 79   79   0      ?      ?       ?  
 80   80   0      ?      ?       ?  
 81   81   4  0.819  0.199   0.294  
 82   82  11  0.879  0.177   0.768  
 83   83   4  0.789  0.227   0.753  
 84   84   4  0.569  0.240   1.406  
 85   85   4  0.724  0.278   1.427  
 86   86   4  0.822  0.150   0.113  
 87   87  11  0.840  0.199   1.183  
 88   88   8  0.840  0.185   0.741  
 89   89   8  0.917  0.128  -0.330  
 90   90   9  0.863  0.218   0.547  
 91   91  10  0.896  0.198   0.997  
 92   92   7  0.822  0.186   0.914  
 93   93   4  0.960  0.096  -0.532  
 94   94   7  0.913  0.117  -0.232  
 95   95   4  0.942  0.102  -0.435  
 96   96   8  0.934  0.118  -0.509  
 97   97   8  0.938  0.109  -0.680  
 98   98   6  0.967  0.102  -0.542  
 99   99   8  0.960  0.129  -0.120  
100  100   5  0.894  0.115  -0.276  
101  101   8  0.947  0.113  -0.458  
102  102   5  0.881  0.156   0.454  
103  103   0      ?      ?       ?  
104  104   0      ?      ?       ?  
105  105   5  0.917  0.122  -0.319  
106  106   7  0.868  0.162   0.492  
107  107   8  0.937  0.159   0.252  
108  108   4  0.924  0.115  -0.225  
109  109   6  0.855  0.150   0.251  
110  110   9  0.881  0.166   0.127  
111  111  11  0.956  0.110  -0.496  
112  112  11  0.925  0.130  -0.119  
113  113   8  0.938  0.133  -0.229  
114  114   6  0.940  0.146   0.585  
115  115   7  0.916  0.150   0.281  
116  116   5  0.918  0.161   0.543  
117  117   9  0.859  0.215   0.507  
118  118   7  0.872  0.174   0.703  
119  119   9  0.852  0.209   0.515  
120  120  14  0.899  0.131   0.041  
121  121   8  0.909  0.182   0.665  
122  122   8  0.843  0.190   0.660  
123  123   4  0.920  0.146   0.276  
124  124   9  0.810  0.181   0.053  
125  125  10  0.931  0.130  -0.120  
126  126   7  0.905  0.159   0.361  
127  127   7  0.902  0.167   0.511  
128  128  11  0.908  0.153   0.315  
129  129   4  0.866  0.183   0.874  
130  130   5  0.910  0.163  -0.187  
131  131   7  0.930  0.135  -0.090  
132  132   9  0.913  0.151  -0.347  
133  133   5  0.946  0.127  -0.570  
134  134   4  0.920  0.166   0.599  
135  135   8  0.929  0.143   0.139  
136  136   5  0.816  0.151   0.128  
137  137   8  0.847  0.171   0.479  
138  138   7  0.930  0.140   0.004  
139  139   9  0.817  0.211   0.541  
140  140   5  0.911  0.172   0.738  
141  141   8  0.893  0.142   0.120  
142  142   9  0.672  0.237   0.885  
143  143   0      ?      ?       ?  
144  144  11  0.765  0.170   0.636  
145  145   4  0.847  0.208   1.278  
146  146   6  0.849  0.218   1.375  
147  147   4  0.862  0.183   0.293  
148  148   8  0.874  0.153   0.159  
149  149   4  0.828  0.222   1.504  
150  150   9  0.679  0.275   1.308  
151  151   7  0.751  0.306   3.023  
152  152   6  0.816  0.172   0.615  
153  153   0      ?      ?       ?  
154  154   0      ?      ?       ?  
155  155   8  0.905  0.199   1.002  
156  156   7  0.854  0.167   0.580  
157  157   8  0.901  0.161   0.293  
158  158   5  0.911  0.172   0.738  
159  159   8  0.909  0.146   0.003  
160  160   6  0.935  0.095  -0.500  
161  161   4  0.963  0.097  -0.515  
162  162   9  0.933  0.119  -0.552  
163  163   8  0.911  0.163   0.315  
164  164  10  0.885  0.155  -0.200  
165  165  10  0.684  0.282   2.376  
166  166   7  0.926  0.142   0.041  
167  167   4  0.938  0.120  -0.144  
168  168   7  0.928  0.137   0.109  
169  169   8  0.873  0.140  -0.099  
170  170   6  0.851  0.242   1.984  
171  171   1  0.855  0.173       ?  
172  172   1  0.966  0.104       ?  
173  173   1  0.731  0.440       ?  
174  174   1  0.792  0.184       ?  
175  175   1  0.669  0.364       ?  
176  176   1  0.951  0.171       ?  
177  177   1  0.825  0.379       ?  
178  178   1  0.698  0.303       ?  
179  179   1  0.834  0.269       ?  
180  180   1  0.868  0.146       ?  
181  181   1  0.847  0.166       ?  
182  182   1  0.686  0.330       ?  
183  183   1  0.959  0.174       ?  
#
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          2.34                                                                  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  
##
