data_3DXR

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  3DXR
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    3DXR
_pdbx_vrpt_summary.PDB_deposition_date         2008-07-24
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-08-30
_pdbx_vrpt_summary.report_creation_date        2023-08-23:14:25
_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  "Mitochondrial import inner membrane translocase subunit TIM9"  
2  polymer  "Mitochondrial import inner membrane translocase subunit TIM10"  
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  2.5  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   9.08  141614     ?     ?  
 2  2  1  16.55    5346  2.50  2.50  
 3  1  2  21.91  138981     ?     ?  
 4  2  2  38.69    5231  2.50  2.50  
 5  1  3  75.87  138945     ?     ?  
 6  2  3  90.46    5233  2.50  2.50  
 7  1  4   5.28  127900     ?     ?  
 8  2  4   5.00    4559  2.50  2.50  
 9  1  5  36.52  130704     ?     ?  
10  2  5  61.52    4661  2.50  2.50  
#
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  100.00  
 4  6  3  A  1  1  A  100.00  
 5  7  4  A  1  1  A    9.83  
 6  8  4  A  1  1  A    9.91  
 7  3  2  B  1  2  B   10.08  
 8  4  2  B  1  2  B   18.29  
 9  5  3  B  1  2  B   56.63  
10  6  3  B  1  2  B   80.09  
11  7  4  B  1  2  B    3.04  
12  8  4  B  1  2  B    2.70  
#
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  0.55  0.35  525  707  
2  1  2  B  B  0.57  0.33  514  694  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.75
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.95
_pdbx_vrpt_summary_geometry.clashscore                     19.94
_pdbx_vrpt_summary_geometry.num_H_reduce                   927
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1039
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.34
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1401
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.56
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 114.187
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            86.529
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         64.084
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.33(2.51A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        5721
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.296
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.361
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.505
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.338
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.925
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.50
_pdbx_vrpt_summary_diffraction.EDS_res_low               49.36
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[62.388,62.388,67.647,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.082
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.91% 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         1
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         97.69
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      261
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.56
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     10.87
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.50
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.25
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.28
#
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  14  PHE  A   12  .  ?        2  
  2  1  1  A  15  GLN  A   13  .  ?        ?  
  3  1  1  A  16  LYS  A   14  .  ?        ?  
  4  1  1  A  17  VAL  A   15  .  ?        3  
  5  1  1  A  18  VAL  A   16  .  ?        1  
  6  1  1  A  19  GLU  A   17  .  ?        ?  
  7  1  1  A  20  GLN  A   18  .  ?        ?  
  8  1  1  A  21  LYS  A   19  .  ?        ?  
  9  1  1  A  22  GLN  A   20  .  ?        ?  
 10  1  1  A  23  MET  A   21  .  ?        ?  
 11  1  1  A  24  LYS  A   22  .  ?        ?  
 12  1  1  A  25  ASP  A   23  .  ?        ?  
 13  1  1  A  26  PHE  A   24  .  ?        ?  
 14  1  1  A  27  MET  A   25  .  ?        ?  
 15  1  1  A  28  ARG  A   26  .  ?        ?  
 16  1  1  A  29  LEU  A   27  .  ?        1  
 17  1  1  A  30  TYR  A   28  .  ?        1  
 18  1  1  A  31  SER  A   29  .  ?        ?  
 19  1  1  A  32  ASN  A   30  .  ?        ?  
 20  1  1  A  33  LEU  A   31  .  ?        2  
 21  1  1  A  34  VAL  A   32  .  ?        1  
 22  1  1  A  35  GLU  A   33  .  ?        ?  
 23  1  1  A  36  ARG  A   34  .  ?        6  
 24  1  1  A  37  CYS  A   35  .  ?        ?  
 25  1  1  A  38  PHE  A   36  .  ?        ?  
 26  1  1  A  39  THR  A   37  .  ?        ?  
 27  1  1  A  40  ASP  A   38  .  ?        ?  
 28  1  1  A  41  CYS  A   39  .  ?        ?  
 29  1  1  A  42  VAL  A   40  .  ?        ?  
 30  1  1  A  43  ASN  A   41  .  ?        1  
 31  1  1  A  44  ASP  A   42  .  ?        ?  
 32  1  1  A  45  PHE  A   43  .  ?        ?  
 33  1  1  A  46  THR  A   44  .  ?        ?  
 34  1  1  A  47  THR  A   45  .  ?        5  
 35  1  1  A  48  SER  A   46  .  ?        4  
 36  1  1  A  49  LYS  A   47  .  ?        1  
 37  1  1  A  50  LEU  A   48  .  ?        ?  
 38  1  1  A  51  THR  A   49  .  ?        1  
 39  1  1  A  52  ASN  A   50  .  ?        ?  
 40  1  1  A  53  LYS  A   51  .  ?        ?  
 41  1  1  A  54  GLU  A   52  .  ?        1  
 42  1  1  A  55  GLN  A   53  .  ?        1  
 43  1  1  A  56  THR  A   54  .  ?        1  
 44  1  1  A  57  CYS  A   55  .  ?        ?  
 45  1  1  A  58  ILE  A   56  .  ?        1  
 46  1  1  A  59  MET  A   57  .  ?        1  
 47  1  1  A  60  LYS  A   58  .  ?        ?  
 48  1  1  A  61  CYS  A   59  .  ?        ?  
 49  1  1  A  62  SER  A   60  .  ?        ?  
 50  1  1  A  63  GLU  A   61  .  ?        1  
 51  1  1  A  64  LYS  A   62  .  ?        ?  
 52  1  1  A  65  PHE  A   63  .  ?        2  
 53  1  1  A  66  LEU  A   64  .  ?        ?  
 54  1  1  A  67  LYS  A   65  .  ?        ?  
 55  1  1  A  68  HIS  A   66  .  ?        ?  
 56  1  1  A  69  SER  A   67  .  ?        ?  
 57  1  1  A  70  GLU  A   68  .  ?        1  
 58  1  1  A  71  ARG  A   69  .  ?        ?  
 59  1  1  A  72  VAL  A   70  .  ?        ?  
 60  1  1  A  73  GLY  A   71  .  ?        1  
 61  1  1  A  74  GLN  A   72  .  ?        2  
 62  1  1  A  75  ARG  A   73  .  ?        1  
 63  1  1  A  76  PHE  A   74  .  ?        1  
 64  1  1  A  77  GLN  A   75  .  ?        1  
 65  1  1  A  78  GLU  A   76  .  ?        1  
 66  1  1  A  79  GLN  A   77  .  ?        ?  
 67  1  1  A  80  ASN  A   78  .  ?        1  
 68  1  1  A  81  ALA  A   79  .  ?        ?  
 69  1  1  A  82  ALA  A   80  .  ?        ?  
 70  1  2  B  17  SER  B   15  .  ?        ?  
 71  1  2  B  18  GLN  B   16  .  ?        1  
 72  1  2  B  19  GLN  B   17  .  ?        2  
 73  1  2  B  20  LYS  B   18  .  ?        ?  
 74  1  2  B  21  ILE  B   19  .  ?        2  
 75  1  2  B  22  GLN  B   20  .  ?        2  
 76  1  2  B  23  ALA  B   21  .  ?        1  
 77  1  2  B  24  ALA  B   22  .  ?        ?  
 78  1  2  B  25  GLU  B   23  .  ?        ?  
 79  1  2  B  26  ALA  B   24  .  ?        ?  
 80  1  2  B  27  GLU  B   25  .  ?        1  
 81  1  2  B  28  LEU  B   26  .  ?        ?  
 82  1  2  B  29  ASP  B   27  .  ?        ?  
 83  1  2  B  30  LEU  B   28  .  ?        ?  
 84  1  2  B  31  VAL  B   29  .  ?        1  
 85  1  2  B  32  THR  B   30  .  ?        2  
 86  1  2  B  33  ASP  B   31  .  ?        1  
 87  1  2  B  34  MET  B   32  .  ?        ?  
 88  1  2  B  35  PHE  B   33  .  ?        1  
 89  1  2  B  36  ASN  B   34  .  ?        2  
 90  1  2  B  37  LYS  B   35  .  ?        1  
 91  1  2  B  38  LEU  B   36  .  ?        ?  
 92  1  2  B  39  VAL  B   37  .  ?        1  
 93  1  2  B  40  ASN  B   38  .  ?        ?  
 94  1  2  B  41  ASN  B   39  .  ?        ?  
 95  1  2  B  42  CYS  B   40  .  ?        ?  
 96  1  2  B  43  TYR  B   41  .  ?        ?  
 97  1  2  B  44  LYS  B   42  .  ?        ?  
 98  1  2  B  45  LYS  B   43  .  ?        ?  
 99  1  2  B  46  CYS  B   44  .  ?        ?  
100  1  2  B  47  ILE  B   45  .  ?        ?  
101  1  2  B  48  ASN  B   46  .  ?        1  
102  1  2  B  49  THR  B   47  .  ?        ?  
103  1  2  B  50  SER  B   48  .  ?        ?  
104  1  2  B  51  TYR  B   49  .  ?        ?  
105  1  2  B  52  SER  B   50  .  ?        ?  
106  1  2  B  53  GLU  B   51  .  ?        1  
107  1  2  B  54  GLY  B   52  .  ?        1  
108  1  2  B  55  GLU  B   53  .  ?        1  
109  1  2  B  56  LEU  B   54  .  ?        ?  
110  1  2  B  57  ASN  B   55  .  ?        ?  
111  1  2  B  58  LYS  B   56  .  ?        ?  
112  1  2  B  59  ASN  B   57  .  ?        ?  
113  1  2  B  60  GLU  B   58  .  ?        1  
114  1  2  B  61  SER  B   59  .  ?        ?  
115  1  2  B  62  SER  B   60  .  ?        ?  
116  1  2  B  63  CYS  B   61  .  ?        ?  
117  1  2  B  64  LEU  B   62  .  ?        2  
118  1  2  B  65  ASP  B   63  .  ?        1  
119  1  2  B  66  ARG  B   64  .  ?        ?  
120  1  2  B  67  CYS  B   65  .  ?        ?  
121  1  2  B  68  VAL  B   66  .  ?        1  
122  1  2  B  69  ALA  B   67  .  ?        ?  
123  1  2  B  70  LYS  B   68  .  ?        ?  
124  1  2  B  71  TYR  B   69  .  ?        ?  
125  1  2  B  72  PHE  B   70  .  ?        ?  
126  1  2  B  73  GLU  B   71  .  ?        ?  
127  1  2  B  74  THR  B   72  .  ?        ?  
128  1  2  B  75  ASN  B   73  .  ?        ?  
129  1  2  B  76  VAL  B   74  .  ?        ?  
130  1  2  B  77  GLN  B   75  .  ?        ?  
131  1  2  B  78  VAL  B   76  .  ?        1  
132  1  2  B  79  GLY  B   77  .  ?        ?  
133  1  2  B  80  GLU  B   78  .  ?        ?  
134  1  2  B  81  ASN  B   79  .  ?        1  
135  1  2  B  82  MET  B   80  .  ?        ?  
136  1  2  B  83  GLN  B   81  .  ?        ?  
137  1  2  B  84  LYS  B   82  .  ?        ?  
138  1  2  B  85  MET  B   83  .  ?        ?  
139  1  3  C   .  HOH  A   88  .  ?        ?  
140  1  3  C   .  HOH  A   89  .  ?        ?  
141  1  3  C   .  HOH  A   90  .  ?        ?  
142  1  3  C   .  HOH  A   91  .  ?        ?  
143  1  3  C   .  HOH  A   92  .  ?        1  
144  1  3  C   .  HOH  A   93  .  ?        ?  
145  1  3  C   .  HOH  A   94  .  ?        ?  
146  1  3  C   .  HOH  A   95  .  ?        ?  
147  1  3  C   .  HOH  A   96  .  ?        ?  
148  1  3  C   .  HOH  A   97  .  ?        ?  
149  1  3  C   .  HOH  A   98  .  ?        ?  
150  1  3  C   .  HOH  A   99  .  ?        ?  
151  1  3  C   .  HOH  A  100  .  ?        ?  
152  1  3  C   .  HOH  A  101  .  ?        ?  
153  1  3  C   .  HOH  A  102  .  ?        ?  
154  1  3  C   .  HOH  A  103  .  ?        ?  
155  1  3  C   .  HOH  A  104  .  ?        ?  
156  1  3  C   .  HOH  A  105  .  ?        ?  
157  1  3  C   .  HOH  A  106  .  ?        ?  
158  1  3  C   .  HOH  A  107  .  ?        ?  
159  1  3  C   .  HOH  A  108  .  ?        ?  
160  1  3  C   .  HOH  A  109  .  ?        ?  
161  1  3  C   .  HOH  A  110  .  ?        ?  
162  1  3  C   .  HOH  A  111  .  ?        ?  
163  1  3  C   .  HOH  A  112  .  ?        ?  
164  1  3  C   .  HOH  A  113  .  ?        ?  
165  1  3  C   .  HOH  A  114  .  ?        ?  
166  1  3  C   .  HOH  A  115  .  ?        1  
167  1  3  C   .  HOH  A  116  .  ?        ?  
168  1  3  C   .  HOH  A  117  .  ?        ?  
169  1  3  D   .  HOH  B   94  .  ?        ?  
170  1  3  D   .  HOH  B   95  .  ?        ?  
171  1  3  D   .  HOH  B   96  .  ?        ?  
172  1  3  D   .  HOH  B   97  .  ?        ?  
173  1  3  D   .  HOH  B   98  .  ?        ?  
174  1  3  D   .  HOH  B   99  .  ?        ?  
175  1  3  D   .  HOH  B  100  .  ?        ?  
176  1  3  D   .  HOH  B  101  .  ?        ?  
177  1  3  D   .  HOH  B  102  .  ?        ?  
178  1  3  D   .  HOH  B  103  .  ?        ?  
179  1  3  D   .  HOH  B  104  .  ?        1  
180  1  3  D   .  HOH  B  105  .  ?        ?  
181  1  3  D   .  HOH  B  106  .  ?        ?  
#
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  ?             ?       ?  ?           ?     1  129.160     5  0.77     7  0.87  molprobity  1.000  
  2    2  ?        -131.2   -29.5  Allowed     ?     2  128.230     5  0.22     7  1.66  molprobity  1.000  
  3    3  ?         -67.4   -33.7  Favored     ?     2  129.120     5  0.21     7  0.64  molprobity  1.000  
  4    4  m         -65.8   -41.2  Favored     ?     9  124.150     7  0.23    10  0.62  molprobity  1.000  
  5    5  t         -59.3   -46.5  Favored     ?     9  115.970     7  0.15    10  0.54  molprobity  1.000  
  6    6  ?         -62.3   -35.9  Favored     ?     2  114.050     5  0.18     7  0.28  molprobity  1.000  
  7    7  ?         -74.8   -47.4  Favored     ?     2  111.550     5  0.15     7  0.56  molprobity  1.000  
  8    8  ?         -59.3   -34.4  Favored     ?     2  110.850     5  0.19     7  0.35  molprobity  1.000  
  9    9  ?         -68.8   -39.3  Favored     ?     2  108.670     5  0.20     7  0.45  molprobity  1.000  
 10   10  ?         -65.9   -43.4  Favored     ?     2  101.660     5  0.16     7  0.39  molprobity  1.000  
 11   11  ?         -64.8   -38.0  Favored     ?     2  100.450     5  0.21     7  0.43  molprobity  1.000  
 12   12  ?         -62.1   -44.7  Favored     ?     2   97.010     5  0.17     7  0.27  molprobity  1.000  
 13   13  t80       -65.0   -41.3  Favored     ?     9   85.470    12  0.59    16  0.33  molprobity  1.000  
 14   14  mtm       -64.2   -22.2  Favored     ?     9   97.350     8  0.31    10  0.50  molprobity  1.000  
 15   15  ?         -69.9   -64.8  Allowed     ?     2   81.360     5  0.17     7  0.20  molprobity  1.000  
 16   16  tp        -45.3   -61.2  Allowed     ?    11   81.540     8  0.30    11  0.44  molprobity  1.000  
 17   17  t80       -40.9   -53.8  Favored     ?     9   70.800    13  0.49    18  0.38  molprobity  1.000  
 18   18  t         -60.7   -52.1  Favored     ?     5   73.490     6  0.31     8  0.46  molprobity  1.000  
 19   19  m-20      -61.6   -34.6  Favored     ?     6   79.570     8  0.22    11  0.41  molprobity  1.000  
 20   20  tp        -68.4   -47.0  Favored     ?    11   66.420     8  0.36    11  0.46  molprobity  1.000  
 21   21  t         -56.5   -49.8  Favored     ?     9   56.980     7  0.31    10  0.57  molprobity  1.000  
 22   22  tt0       -63.1   -39.2  Favored     ?     6   64.980     9  0.26    12  0.41  molprobity  1.000  
 23   23  tpm_?     -61.8   -50.6  Favored     ?    13   63.800    11  0.35    14  0.50  molprobity  1.000  
 24   24  m         -75.2   -26.1  Favored     ?     4   51.040     6  0.35     8  0.72  molprobity  1.000  
 25   25  t80       -71.9   -41.2  Favored     ?     9   44.770    12  0.66    16  0.48  molprobity  1.000  
 26   26  m         -64.0   -44.2  Favored     ?     7   44.700     7  0.24    10  0.54  molprobity  1.000  
 27   27  m-20      -83.0   -21.7  Favored     ?     4   52.790     8  0.29    11  1.08  molprobity  1.000  
 28   28  m        -110.1   -38.0  Favored     ?     4   49.340     6  0.32     8  1.43  molprobity  1.000  
 29   29  t         -92.5    98.8  Favored     ?     9   49.870     7  0.53    10  0.52  molprobity  1.000  
 30   30  p-10     -121.2    -3.2  Favored     ?     6   64.170     8  0.42    11  0.49  molprobity  1.000  
 31   31  t70      -108.6   127.7  Favored     ?     4   65.060     8  0.28    11  0.51  molprobity  1.000  
 32   32  m-85     -128.3    38.8  Favored     ?     9   56.790    12  0.46    16  0.30  molprobity  1.000  
 33   33  p         -86.5   -10.6  Favored     ?     7   58.560     7  0.46    10  0.85  molprobity  1.000  
 34   34  m        -139.4   175.2  Favored     ?     7   67.320     7  0.32    10  0.56  molprobity  1.000  
 35   35  m        -105.0     3.1  Favored     ?     5   69.070     6  0.32     8  0.52  molprobity  1.000  
 36   36  mttt     -126.5   145.6  Favored     ?    13   80.460     9  0.23    11  0.46  molprobity  1.000  
 37   37  mt        -62.4   134.7  Favored     ?    11   57.020     8  0.31    11  0.52  molprobity  1.000  
 38   38  p         -75.5  -170.6  Allowed     ?     7   66.900     7  0.26    10  0.78  molprobity  1.000  
 39   39  t-20      -74.7   -43.9  Favored     ?     6   82.820     8  0.35    11  0.71  molprobity  1.000  
 40   40  mmtt      -62.7   -38.2  Favored     ?    13   67.230     9  0.30    11  0.57  molprobity  1.000  
 41   41  mt-10     -68.2   -32.8  Favored     ?     6   61.250     9  0.66    12  0.42  molprobity  1.000  
 42   42  mt-30     -72.7   -41.6  Favored     1     8   65.840     9  0.30    12  0.34  molprobity  1.000  
 43   43  p         -62.0   -53.1  Favored     ?     7   69.280     7  0.25    10  0.71  molprobity  1.000  
 44   44  t         -49.4   -46.3  Favored     ?     4   59.300     6  0.40     8  0.72  molprobity  1.000  
 45   45  mt        -65.0   -28.7  Favored     ?    11   56.310     8  0.18    11  0.62  molprobity  1.000  
 46   46  tpp       -67.5   -53.0  Favored     ?     9   76.300     8  0.29    10  0.48  molprobity  1.000  
 47   47  mttt      -61.8   -47.6  Favored     ?    13   57.280     9  0.20    11  0.34  molprobity  1.000  
 48   48  t         -56.0   -47.1  Favored     ?     4   56.220     6  0.37     8  0.54  molprobity  1.000  
 49   49  m         -53.3   -51.1  Favored     ?     5   62.100     6  0.35     8  0.65  molprobity  1.000  
 50   50  tt0       -61.6   -57.0  Favored     ?     6   78.190     9  0.28    12  0.45  molprobity  1.000  
 51   51  tppt?     -52.3   -45.4  Favored     ?    13   57.900     9  0.27    11  0.36  molprobity  1.000  
 52   52  t80       -67.1   -46.5  Favored     ?     9   59.340    12  0.52    16  0.34  molprobity  1.000  
 53   53  mt        -61.8   -42.0  Favored     ?    11   68.180     8  0.32    11  0.42  molprobity  1.000  
 54   54  ?         -61.4   -55.9  Favored     ?     2   65.110     5  0.22     7  0.47  molprobity  1.000  
 55   55  t60       -50.3   -48.2  Favored     ?     7   57.480    11  0.18    15  0.44  molprobity  1.000  
 56   56  t         -63.2   -28.9  Favored     ?     5   68.080     6  0.39     8  0.48  molprobity  1.000  
 57   57  tt0       -74.1   -52.3  Favored     ?     6   85.330     9  0.22    12  0.49  molprobity  1.000  
 58   58  tpt180    -54.5   -52.9  Favored     ?    13   73.690    11  0.27    14  0.38  molprobity  1.000  
 59   59  t         -58.0   -35.5  Favored     ?     9   63.850     7  0.33    10  0.62  molprobity  1.000  
 60   60  ?         -64.8   -38.4  Favored     ?     3   78.040     4  0.31     5  0.52  molprobity  1.000  
 61   61  mt-30     -65.2   -47.3  Favored     ?     8   89.970     9  0.28    12  0.29  molprobity  1.000  
 62   62  mmp_?     -65.3   -39.0  Favored     ?    13   92.580    11  0.21    14  0.47  molprobity  1.000  
 63   63  t80       -59.4   -32.0  Favored     ?     9   90.560    12  0.55    16  0.25  molprobity  1.000  
 64   64  mm-40     -78.2   -40.6  Favored     ?     8  107.820     9  0.27    12  0.30  molprobity  1.000  
 65   65  mt-10     -61.0   -59.9  Favored     ?     6  103.210     9  0.21    12  0.44  molprobity  1.000  
 66   66  ?         -65.7   -13.2  Favored     ?     2  111.430     5  0.19     7  0.38  molprobity  1.000  
 67   67  t30       -80.4   -33.8  Favored     ?     6  114.130     8  0.19    11  0.28  molprobity  1.000  
 68   68  ?         -69.6   -14.1  Favored     ?     5  118.360     5  0.23     7  0.20  molprobity  1.000  
 69   69  ?             ?       ?  ?           ?     5  116.020     4  0.56     4  0.68  molprobity  1.000  
 70   70  ?             ?       ?  ?           ?     1  152.890     5  0.78     7  0.38  molprobity  1.000  
 71   71  ?         -60.6   -47.8  Favored     ?     2  152.560     5  0.20     7  0.28  molprobity  1.000  
 72   72  ?         -70.3   -26.6  Favored     ?     2  147.630     5  0.21     7  0.33  molprobity  1.000  
 73   73  ?         -61.8   -37.1  Favored     ?     2  140.170     5  0.18     7  0.34  molprobity  1.000  
 74   74  pt        -58.2   -21.9  Favored     ?    11  126.650     8  0.19    11  0.57  molprobity  1.000  
 75   75  mt-30     -47.9   -21.9  Allowed     ?     8  121.180     9  0.31    12  0.55  molprobity  1.000  
 76   76  ?         -59.1   -38.6  Favored     ?     5  121.810     5  0.19     7  0.22  molprobity  1.000  
 77   77  ?         -62.8   -42.2  Favored     ?     5  121.120     5  0.36     7  0.45  molprobity  1.000  
 78   78  ?         -68.2   -42.4  Favored     ?     2  113.500     5  0.20     7  0.52  molprobity  1.000  
 79   79  ?         -67.5   -46.3  Favored     ?     5  106.150     5  0.21     7  0.29  molprobity  1.000  
 80   80  ?         -68.9   -55.6  Favored     ?     2  103.220     5  0.19     7  0.24  molprobity  1.000  
 81   81  mt        -60.2   -17.5  Favored     ?    11  103.880     8  0.20    11  0.45  molprobity  1.000  
 82   82  ?         -72.7   -48.5  Favored     ?     2  101.760     5  0.21     7  0.57  molprobity  1.000  
 83   83  tp        -72.8   -28.2  Favored     ?    11  104.010     8  0.25    11  0.34  molprobity  1.000  
 84   84  t         -70.8   -40.8  Favored     ?     9   94.680     7  0.26    10  0.59  molprobity  1.000  
 85   85  m         -70.3   -49.3  Favored     ?     7   87.860     7  0.47    10  0.59  molprobity  1.000  
 86   86  t70       -57.3   -45.5  Favored     ?     4   88.630     8  0.23    11  0.42  molprobity  1.000  
 87   87  ttt       -61.6   -48.7  Favored     ?     9   82.180     8  0.31    10  0.41  molprobity  1.000  
 88   88  t80       -55.0   -36.9  Favored     ?     9   57.730    12  0.66    16  0.29  molprobity  1.000  
 89   89  m-20      -72.7   -37.3  Favored     1     6   70.900     8  0.17    11  0.35  molprobity  1.000  
 90   90  mttm      -67.7   -39.5  Favored     ?    13   64.140     9  0.26    11  0.68  molprobity  1.000  
 91   91  tp        -57.9   -51.4  Favored     ?    11   63.190     8  0.24    11  0.79  molprobity  1.000  
 92   92  t         -58.3   -46.7  Favored     ?     9   55.240     7  0.49    10  0.56  molprobity  1.000  
 93   93  m-20      -72.0   -39.5  Favored     ?     6   60.390     8  0.27    11  0.42  molprobity  1.000  
 94   94  m-80      -62.5   -56.1  Favored     ?     6   59.360     8  0.45    11  0.38  molprobity  1.000  
 95   95  m         -62.7   -20.1  Favored     ?     4   52.040     6  0.23     8  0.83  molprobity  1.000  
 96   96  t80       -70.7   -46.9  Favored     ?     9   56.930    13  0.27    18  0.48  molprobity  1.000  
 97   97  mttt      -66.2   -35.7  Favored     ?    13   67.770     9  0.24    11  0.51  molprobity  1.000  
 98   98  mmtt      -75.4   -34.1  Favored     ?    13   49.630     9  0.28    11  0.71  molprobity  1.000  
 99   99  m        -115.7   -18.4  Favored     ?     4   55.220     6  0.25     8  1.59  molprobity  1.000  
100  100  ?        -101.8   125.8  Favored     ?     6   57.550     7  0.37    10  1.05  molprobity  1.000  
101  101  OUTLIER  -112.6   118.0  Favored     1     6   61.250     8  0.37    11  0.77  molprobity  1.000  
102  102  p         -94.8   -12.7  Favored     ?     7   54.260     7  0.36    10  0.72  molprobity  1.000  
103  103  m         -54.6   120.8  Favored     ?     5   58.870     6  0.25     8  0.47  molprobity  1.000  
104  104  m-85       45.5    32.0  Allowed     ?     9   57.190    13  0.28    18  0.39  molprobity  1.000  
105  105  t         -86.2   162.0  Favored     ?     5   67.780     6  0.44     8  0.60  molprobity  1.000  
106  106  mm-40    -117.4   124.8  Favored     ?     6   77.440     9  0.26    12  0.41  molprobity  1.000  
107  107  ?         -19.5   -19.4  OUTLIER     ?     3   75.720     4  0.33     5  1.56  molprobity  1.000  
108  108  tt0       -80.8   144.3  Favored     ?     6   93.520     9  0.19    12  0.39  molprobity  1.000  
109  109  tp        -90.7   107.7  Favored     ?    11   70.090     8  0.18    11  1.30  molprobity  1.000  
110  110  p30       -73.1   166.5  Favored     ?     6   76.880     8  0.35    11  0.59  molprobity  1.000  
111  111  ?         -52.1   -47.6  Favored     ?     2   70.760     5  0.21     7  0.62  molprobity  1.000  
112  112  m-20      -63.9   -38.5  Favored     ?     6   69.940     8  0.20    11  0.38  molprobity  1.000  
113  113  mt-10     -68.7   -39.0  Favored     ?     6   67.810     9  0.23    12  0.58  molprobity  1.000  
114  114  m         -62.0   -46.5  Favored     ?     5   67.700     6  0.22     8  0.61  molprobity  1.000  
115  115  p         -72.8   -38.2  Favored     ?     5   66.240     6  0.34     8  0.27  molprobity  1.000  
116  116  t         -52.5   -45.1  Favored     ?     4   58.170     6  0.24     8  0.79  molprobity  1.000  
117  117  mt        -57.3   -51.7  Favored     ?    11   62.020     8  0.28    11  0.47  molprobity  1.000  
118  118  m-20      -52.9   -55.1  Favored     ?     4   67.760     8  0.31    11  0.41  molprobity  1.000  
119  119  mtt180    -62.4   -33.7  Favored     ?    13   64.460    11  0.32    14  0.52  molprobity  1.000  
120  120  t         -65.7   -49.0  Favored     ?     4   52.760     6  0.41     8  0.43  molprobity  1.000  
121  121  t         -60.0   -37.9  Favored     ?     9   56.490     7  0.22    10  0.59  molprobity  1.000  
122  122  ?         -67.5   -49.5  Favored     ?     5   62.600     5  0.15     7  0.41  molprobity  1.000  
123  123  mttt      -64.9   -24.1  Favored     ?    13   56.310     9  0.29    11  0.44  molprobity  1.000  
124  124  t80       -69.3   -38.5  Favored     ?     9   60.040    13  0.49    18  0.41  molprobity  1.000  
125  125  m-85      -73.6   -40.0  Favored     ?     9   64.480    12  0.67    16  0.43  molprobity  1.000  
126  126  tt0       -60.6   -35.3  Favored     ?     6   72.400     9  0.21    12  0.44  molprobity  1.000  
127  127  m         -69.0   -37.5  Favored     ?     7   54.840     7  0.73    10  0.31  molprobity  1.000  
128  128  m120      -54.0   -62.6  Allowed     ?     6   71.250     8  0.24    11  0.75  molprobity  1.000  
129  129  t         -53.9   -48.0  Favored     ?     9   73.440     7  0.32    10  0.58  molprobity  1.000  
130  130  tp60      -52.4   -55.6  Favored     ?     8   84.460     9  0.23    12  0.31  molprobity  1.000  
131  131  t         -63.8   -27.9  Favored     ?     9   78.080     7  0.20    10  0.59  molprobity  1.000  
132  132  ?         -70.1   -39.3  Favored     ?     3   88.930     4  0.32     5  0.53  molprobity  1.000  
133  133  mt-10     -73.5   -24.6  Favored     ?     6   95.780     9  0.31    12  0.21  molprobity  1.000  
134  134  m-20      -73.5   -34.5  Favored     1     6   99.150     8  0.32    11  0.29  molprobity  1.000  
135  135  mtp       -75.7   -30.5  Favored     ?     9   99.100     8  0.19    10  0.36  molprobity  1.000  
136  136  ?         -70.8   -29.7  Favored     ?     2  106.370     5  0.17     7  0.28  molprobity  1.000  
137  137  tttt      -69.3   -50.2  Favored     ?    13  119.850     9  0.25    11  0.24  molprobity  1.000  
138  138  ?             ?       ?  ?           ?     2  122.950     4  0.51     4  0.79  molprobity  1.000  
139  139  ?             ?       ?  ?           ?     ?   72.340     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?     ?   67.340     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?     ?   86.120     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?     ?  103.050     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?     ?   69.000     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?     ?   56.730     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?     ?   74.550     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?     ?   68.990     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?     ?   65.440     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?     ?   88.670     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?     ?   83.790     ?     ?     ?     ?  ?           1.000  
150  150  ?             ?       ?  ?           ?     ?   77.100     ?     ?     ?     ?  ?           1.000  
151  151  ?             ?       ?  ?           ?     ?   77.280     ?     ?     ?     ?  ?           1.000  
152  152  ?             ?       ?  ?           ?     ?   75.870     ?     ?     ?     ?  ?           1.000  
153  153  ?             ?       ?  ?           ?     ?   84.990     ?     ?     ?     ?  ?           1.000  
154  154  ?             ?       ?  ?           ?     ?  111.370     ?     ?     ?     ?  ?           1.000  
155  155  ?             ?       ?  ?           ?     ?   95.480     ?     ?     ?     ?  ?           1.000  
156  156  ?             ?       ?  ?           ?     ?   96.620     ?     ?     ?     ?  ?           1.000  
157  157  ?             ?       ?  ?           ?     ?   89.810     ?     ?     ?     ?  ?           1.000  
158  158  ?             ?       ?  ?           ?     ?   86.580     ?     ?     ?     ?  ?           1.000  
159  159  ?             ?       ?  ?           ?     ?   76.000     ?     ?     ?     ?  ?           1.000  
160  160  ?             ?       ?  ?           ?     ?   74.840     ?     ?     ?     ?  ?           1.000  
161  161  ?             ?       ?  ?           ?     ?   61.190     ?     ?     ?     ?  ?           1.000  
162  162  ?             ?       ?  ?           ?     ?   78.710     ?     ?     ?     ?  ?           1.000  
163  163  ?             ?       ?  ?           ?     ?   95.460     ?     ?     ?     ?  ?           1.000  
164  164  ?             ?       ?  ?           ?     ?   75.280     ?     ?     ?     ?  ?           1.000  
165  165  ?             ?       ?  ?           ?     ?   97.840     ?     ?     ?     ?  ?           1.000  
166  166  ?             ?       ?  ?           ?     ?   59.100     ?     ?     ?     ?  ?           1.000  
167  167  ?             ?       ?  ?           ?     ?   70.240     ?     ?     ?     ?  ?           1.000  
168  168  ?             ?       ?  ?           ?     ?   71.560     ?     ?     ?     ?  ?           1.000  
169  169  ?             ?       ?  ?           ?     ?   68.530     ?     ?     ?     ?  ?           1.000  
170  170  ?             ?       ?  ?           ?     ?   86.760     ?     ?     ?     ?  ?           1.000  
171  171  ?             ?       ?  ?           ?     ?   61.690     ?     ?     ?     ?  ?           1.000  
172  172  ?             ?       ?  ?           ?     ?   89.650     ?     ?     ?     ?  ?           1.000  
173  173  ?             ?       ?  ?           ?     ?   80.740     ?     ?     ?     ?  ?           1.000  
174  174  ?             ?       ?  ?           ?     ?   77.760     ?     ?     ?     ?  ?           1.000  
175  175  ?             ?       ?  ?           ?     ?   88.690     ?     ?     ?     ?  ?           1.000  
176  176  ?             ?       ?  ?           ?     ?  103.800     ?     ?     ?     ?  ?           1.000  
177  177  ?             ?       ?  ?           ?     ?   88.330     ?     ?     ?     ?  ?           1.000  
178  178  ?             ?       ?  ?           ?     ?   75.630     ?     ?     ?     ?  ?           1.000  
179  179  ?             ?       ?  ?           ?     ?   56.910     ?     ?     ?     ?  ?           1.000  
180  180  ?             ?       ?  ?           ?     ?  110.000     ?     ?     ?     ?  ?           1.000  
181  181  ?             ?       ?  ?           ?     ?   81.350     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1    1  CB     1  0.52  2.39  
 2    1  CB     2  0.43  2.48  
 3    4  HG13   1  0.52  2.39  
 4    4  HG23   3  0.44  2.32  
 5    4  HG22   2  0.43  2.48  
 6    5  N      3  0.44  2.32  
 7   16  HD13   4  0.58  2.02  
 8   17  O      5  0.73  1.88  
 9   20  HD13   6  0.62  1.62  
10   20  HD13   7  0.57  2.39  
11   21  HG23   5  0.73  1.88  
12   23  HA     8  0.61  1.65  
13   23  HA     9  0.44  2.32  
14   23  HE     8  0.61  1.65  
15   23  HE    10  0.50  2.24  
16   23  CA    10  0.50  2.24  
17   23  NE     9  0.44  2.32  
18   30  HB3   11  0.92  1.67  
19   34  HG22  12  0.77  1.48  
20   34  HG22  13  0.74  2.01  
21   34  HG22  14  0.55  1.70  
22   34  CG2   15  0.61  2.63  
23   34  CG2   16  0.57  2.18  
24   35  N     13  0.74  2.01  
25   35  N     15  0.61  2.63  
26   35  H     16  0.57  2.18  
27   35  H     14  0.55  1.70  
28   36  H     12  0.77  1.48  
29   38  O     17  0.48  2.14  
30   41  O     18  0.74  1.87  
31   42  HG3   17  0.48  2.14  
32   43  O     19  0.41  2.21  
33   45  HG13  18  0.74  1.87  
34   46  HB3   19  0.41  2.21  
35   50  HG2   20  0.43  2.18  
36   52  HD2    6  0.62  1.62  
37   52  CD2    7  0.57  2.39  
38   57  O     21  0.50  2.11  
39   60  O     22  0.66  1.96  
40   61  HG3   21  0.50  2.11  
41   61  O     23  0.47  2.13  
42   62  HD2   24  0.62  1.99  
43   63  O     25  0.72  1.90  
44   64  HG2   22  0.66  1.96  
45   65  HG3   23  0.47  2.13  
46   67  HB2   25  0.72  1.90  
47   71  O     26  0.88  1.72  
48   72  O     27  0.53  2.08  
49   72  O     28  0.42  2.66  
50   74  HG12  26  0.88  1.72  
51   74  C     29  0.45  2.68  
52   75  HB2   27  0.53  2.08  
53   75  CB    28  0.42  2.66  
54   76  N     29  0.45  2.68  
55   80  O     30  0.76  1.85  
56   84  HG23  30  0.76  1.85  
57   85  HG22  31  0.47  1.79  
58   85  O     32  0.42  2.52  
59   86  OD2   33  0.72  1.89  
60   88  O     34  0.55  2.07  
61   89  HD21  31  0.47  1.79  
62   89  ND2   32  0.42  2.52  
63   90  HE2   33  0.72  1.89  
64   92  HG23  34  0.55  2.07  
65  101  ND2   35  0.68  2.26  
66  106  O     36  0.72  2.23  
67  107  O     20  0.43  2.18  
68  108  N     36  0.72  2.23  
69  113  O     37  0.55  2.06  
70  117  HG    37  0.55  2.06  
71  117  O     38  0.41  2.21  
72  118  OD1   24  0.62  1.99  
73  121  HG23  38  0.41  2.21  
74  131  HA    39  0.54  1.72  
75  134  HD22  39  0.54  1.72  
76  143  O      4  0.58  2.02  
77  166  O     11  0.92  1.67  
78  179  O     35  0.68  2.26  
#
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   5  0.719  0.294   2.275  
  2    2   5  0.703  0.281   1.429  
  3    3   5  0.493  0.437   2.955  
  4    4   7  0.838  0.543   6.417  
  5    5   7  0.827  0.269   1.827  
  6    6   5  0.918  0.326   1.706  
  7    7   5  0.869  0.246   0.952  
  8    8   5  0.786  0.354   1.927  
  9    9   5  0.872  0.217   0.558  
 10   10   5  0.937  0.196   0.693  
 11   11   5  0.901  0.271   0.898  
 12   12   5  0.920  0.211   0.680  
 13   13  11  0.932  0.272   1.906  
 14   14   8  0.945  0.260   1.739  
 15   15   5  0.898  0.162  -0.284  
 16   16   8  0.943  0.177   0.148  
 17   17  12  0.898  0.204   0.900  
 18   18   6  0.951  0.147  -0.054  
 19   19   8  0.934  0.243   1.219  
 20   20   8  0.974  0.202   0.556  
 21   21   7  0.956  0.206   0.772  
 22   22   9  0.940  0.161  -0.344  
 23   23  11  0.947  0.201   0.233  
 24   24   6  0.967  0.156   0.469  
 25   25  11  0.965  0.197   0.650  
 26   26   7  0.965  0.200   0.779  
 27   27   8  0.956  0.148  -0.207  
 28   28   6  0.963  0.133   0.014  
 29   29   7  0.928  0.249   1.492  
 30   30   8  0.910  0.238   1.145  
 31   31   8  0.934  0.181   0.258  
 32   32  11  0.972  0.162   0.064  
 33   33   7  0.978  0.160   0.130  
 34   34   7  0.952  0.226   1.201  
 35   35   6  0.962  0.182   0.489  
 36   36   9  0.956  0.206   0.093  
 37   37   8  0.969  0.260   1.502  
 38   38   7  0.965  0.177   0.406  
 39   39   8  0.956  0.264   1.527  
 40   40   9  0.955  0.207   0.105  
 41   41   9  0.965  0.186  -0.034  
 42   42   9  0.935  0.173  -0.041  
 43   43   7  0.979  0.180   0.455  
 44   44   6  0.943  0.159   0.529  
 45   45   8  0.977  0.162  -0.065  
 46   46   8  0.970  0.125  -0.467  
 47   47   9  0.929  0.197  -0.019  
 48   48   6  0.971  0.122  -0.204  
 49   49   6  0.969  0.130  -0.318  
 50   50   9  0.945  0.161  -0.344  
 51   51   9  0.956  0.149  -0.613  
 52   52  11  0.974  0.178   0.332  
 53   53   8  0.957  0.198   0.491  
 54   54   5  0.922  0.143  -0.688  
 55   55  10  0.951  0.167   0.164  
 56   56   6  0.955  0.141  -0.148  
 57   57   9  0.910  0.186  -0.034  
 58   58  11  0.923  0.201   0.233  
 59   59   7  0.970  0.183   0.387  
 60   60   4  0.943  0.123  -0.328  
 61   61   9  0.935  0.232   0.762  
 62   62  11  0.927  0.185   0.021  
 63   63  11  0.939  0.255   1.621  
 64   64   9  0.850  0.313   1.864  
 65   65   9  0.801  0.187  -0.021  
 66   66   5  0.674  0.374   2.694  
 67   67   8  0.761  0.200   0.587  
 68   68   5  0.896  0.351   3.279  
 69   69   5  0.886  0.314   2.679  
 70   70   5  0.732  0.430   4.340  
 71   71   5  0.790  0.463   3.905  
 72   72   5  0.740  0.629   6.163  
 73   73   5  0.773  0.504   3.786  
 74   74   8  0.897  0.279   1.891  
 75   75   9  0.843  0.281   1.429  
 76   76   5  0.839  0.311   2.630  
 77   77   5  0.934  0.442   4.754  
 78   78   5  0.900  0.314   1.557  
 79   79   5  0.937  0.230   1.318  
 80   80   5  0.879  0.199   0.128  
 81   81   8  0.868  0.312   2.351  
 82   82   5  0.963  0.228   0.920  
 83   83   8  0.877  0.314   2.383  
 84   84   7  0.958  0.251   1.526  
 85   85   7  0.879  0.209   0.925  
 86   86   8  0.833  0.238   1.061  
 87   87   8  0.937  0.211   0.938  
 88   88  11  0.973  0.203   0.750  
 89   89   8  0.842  0.191   0.455  
 90   90   9  0.933  0.162  -0.452  
 91   91   8  0.978  0.306   2.253  
 92   92   7  0.980  0.164   0.069  
 93   93   8  0.973  0.140  -0.294  
 94   94   8  0.961  0.169   0.132  
 95   95   6  0.964  0.117  -0.303  
 96   96  12  0.941  0.190   0.654  
 97   97   9  0.918  0.287   1.097  
 98   98   9  0.968  0.209   0.130  
 99   99   6  0.949  0.171   0.766  
100  100   7  0.942  0.208   0.704  
101  101   8  0.937  0.236   1.116  
102  102   7  0.971  0.185   0.536  
103  103   6  0.980  0.157   0.101  
104  104  12  0.947  0.191   0.671  
105  105   6  0.920  0.159   0.132  
106  106   9  0.851  0.197   0.103  
107  107   4  0.905  0.202   0.834  
108  108   9  0.860  0.197   0.103  
109  109   8  0.931  0.213   0.736  
110  110   8  0.933  0.161   0.015  
111  111   5  0.973  0.198  -0.006  
112  112   8  0.954  0.180   0.294  
113  113   9  0.958  0.203   0.178  
114  114   6  0.976  0.173   0.349  
115  115   6  0.940  0.131  -0.303  
116  116   6  0.963  0.142   0.192  
117  117   8  0.984  0.172   0.067  
118  118   8  0.934  0.151  -0.165  
119  119  11  0.954  0.191   0.101  
120  120   6  0.977  0.130  -0.046  
121  121   7  0.947  0.179   0.320  
122  122   5  0.958  0.197   0.783  
123  123   9  0.942  0.183  -0.192  
124  124  12  0.962  0.179   0.460  
125  125  11  0.962  0.172   0.231  
126  126   9  0.868  0.194   0.066  
127  127   7  0.972  0.149  -0.049  
128  128   8  0.924  0.191   0.455  
129  129   7  0.935  0.223   1.057  
130  130   9  0.918  0.136  -0.544  
131  131   7  0.968  0.212   0.873  
132  132   4  0.893  0.127  -0.269  
133  133   9  0.798  0.268   0.985  
134  134   8  0.825  0.226   0.969  
135  135   8  0.793  0.197   0.709  
136  136   5  0.838  0.300   1.687  
137  137   9  0.824  0.335   1.691  
138  138   5  0.857  0.204   0.824  
139  139   1  0.837  0.392       ?  
140  140   1  0.650  0.453       ?  
141  141   1  0.800  0.640       ?  
142  142   1  0.521  0.577       ?  
143  143   1  0.736  0.716       ?  
144  144   1  0.871  0.245       ?  
145  145   1  0.699  0.409       ?  
146  146   1  0.949  0.469       ?  
147  147   1  0.476  0.960       ?  
148  148   1  0.681  0.526       ?  
149  149   1  0.797  0.532       ?  
150  150   1  0.876  0.366       ?  
151  151   1  0.270  0.515       ?  
152  152   1  0.707  0.499       ?  
153  153   1  0.832  0.580       ?  
154  154   1  0.104  1.184       ?  
155  155   1  0.554  0.616       ?  
156  156   1  0.534  1.066       ?  
157  157   1  0.644  0.163       ?  
158  158   1  0.628  0.641       ?  
159  159   1  0.681  0.512       ?  
160  160   1  0.766  0.433       ?  
161  161   1  0.261  0.816       ?  
162  162   1  0.571  0.765       ?  
163  163   1  0.710  0.901       ?  
164  164   1  0.593  0.628       ?  
165  165   1  0.835  0.145       ?  
166  166   1  0.757  0.417       ?  
167  167   1  0.875  0.656       ?  
168  168   1  0.647  0.880       ?  
169  169   1  0.771  0.319       ?  
170  170   1  0.604  0.759       ?  
171  171   1  0.978  0.260       ?  
172  172   1  0.811  1.284       ?  
173  173   1  0.438  0.703       ?  
174  174   1  0.725  0.446       ?  
175  175   1  0.549  0.593       ?  
176  176   1  0.931  0.642       ?  
177  177   1  0.672  0.506       ?  
178  178   1  0.817  0.829       ?  
179  179   1  0.732  0.260       ?  
180  180   1  0.123  1.523       ?  
181  181   1  0.815  0.749       ?  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  eds          2.35                                                                  Y  
3  dcc          '"2.27  (2023-04-10)"'                                                Y  
4  xtriage      1.13                                                                  Y  
5  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
