data_5Y3C

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5Y3C
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5Y3C
_pdbx_vrpt_summary.PDB_deposition_date         2017-07-28
_pdbx_vrpt_summary.PDB_revision_number         2
_pdbx_vrpt_summary.PDB_revision_date           2023-11-22
_pdbx_vrpt_summary.report_creation_date        2023-11-13:11:51
_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  Dixin-A  
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  1.96  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   97.26  141614     ?     ?  
 2  2  1   97.08    2705  1.96  1.96  
 3  1  2  100.00  138981     ?     ?  
 4  2  2  100.00    2678  1.96  1.96  
 5  1  3  100.00  138945     ?     ?  
 6  2  3  100.00    2678  1.96  1.96  
 7  1  4    5.44  127900     ?     ?  
 8  2  4    9.14    2539  1.96  1.96  
 9  1  5   77.02  130704     ?     ?  
10  2  5   81.58    2580  1.96  1.96  
#
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    5.44  
6  8  4  A  1  1  A    9.14  
#
_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      0.41
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.25
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   687
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  933
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       0.00
_pdbx_vrpt_summary_geometry.clashscore                     0.76
_pdbx_vrpt_summary_geometry.num_H_reduce                   651
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 687
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.25
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                933
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.41
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 122.339
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            49.690
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         25.027
_pdbx_vrpt_summary_diffraction.I_over_sigma              5.35(1.96A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7062
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.284
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.346
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.487
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.319
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.959
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.106
_pdbx_vrpt_summary_diffraction.DCC_R                     0.17
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.21
_pdbx_vrpt_summary_diffraction.EDS_R                     0.18
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.96
_pdbx_vrpt_summary_diffraction.EDS_res_low               23.36
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[26.242,26.242,22.772,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.138
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 6.09% 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         98.31
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      722
_pdbx_vrpt_summary_diffraction.percent_free_reflections  10.22
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     10.84
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.96
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        23.36
_pdbx_vrpt_summary_diffraction.PDB_R                     0.17
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.22
#
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   2  PRO  A  355  .  ?        ?  
  2  1  1  A   3  ALA  A  356  .  ?        ?  
  3  1  1  A   4  ALA  A  357  .  ?        ?  
  4  1  1  A   5  ALA  A  358  .  ?        ?  
  5  1  1  A   6  SER  A  359  .  ?        ?  
  6  1  1  A   7  THR  A  360  .  ?        ?  
  7  1  1  A   8  LYS  A  361  .  ?        ?  
  8  1  1  A   9  VAL  A  362  .  ?        ?  
  9  1  1  A  10  LEU  A  363  .  ?        ?  
 10  1  1  A  11  TYR  A  364  .  ?        1  
 11  1  1  A  12  TYR  A  365  .  ?        ?  
 12  1  1  A  13  THR  A  366  .  ?        ?  
 13  1  1  A  14  ASP  A  367  .  ?        ?  
 14  1  1  A  15  ARG  A  368  .  ?        ?  
 15  1  1  A  16  SER  A  369  .  ?        ?  
 16  1  1  A  17  LEU  A  370  .  ?        ?  
 17  1  1  A  18  THR  A  371  .  ?        ?  
 18  1  1  A  19  PRO  A  372  .  ?        ?  
 19  1  1  A  20  PHE  A  373  .  ?        ?  
 20  1  1  A  21  LEU  A  374  .  ?        ?  
 21  1  1  A  22  VAL  A  375  .  ?        ?  
 22  1  1  A  23  ASN  A  376  .  ?        ?  
 23  1  1  A  24  ILE  A  377  .  ?        ?  
 24  1  1  A  25  PRO  A  378  .  ?        ?  
 25  1  1  A  26  LYS  A  379  .  ?        ?  
 26  1  1  A  27  ARG  A  380  .  ?        ?  
 27  1  1  A  28  LEU  A  381  .  ?        ?  
 28  1  1  A  29  GLY  A  382  .  ?        ?  
 29  1  1  A  30  ASP  A  383  .  ?        ?  
 30  1  1  A  31  VAL  A  384  .  ?        ?  
 31  1  1  A  32  THR  A  385  .  ?        ?  
 32  1  1  A  33  LEU  A  386  .  ?        ?  
 33  1  1  A  34  GLN  A  387  .  ?        ?  
 34  1  1  A  35  ASP  A  388  .  ?        ?  
 35  1  1  A  36  PHE  A  389  .  ?        ?  
 36  1  1  A  37  LYS  A  390  .  ?        ?  
 37  1  1  A  38  ALA  A  391  .  ?        ?  
 38  1  1  A  39  ALA  A  392  .  ?        ?  
 39  1  1  A  40  VAL  A  393  .  ?        ?  
 40  1  1  A  41  ASP  A  394  .  ?        ?  
 41  1  1  A  42  ARG  A  395  .  ?        1  
 42  1  1  A  43  HIS  A  396  .  ?        ?  
 43  1  1  A  44  GLY  A  397  .  ?        ?  
 44  1  1  A  45  SER  A  398  .  ?        ?  
 45  1  1  A  46  PHE  A  399  .  ?        ?  
 46  1  1  A  47  ARG  A  400  .  ?        ?  
 47  1  1  A  48  TYR  A  401  .  ?        ?  
 48  1  1  A  49  HIS  A  402  .  ?        ?  
 49  1  1  A  50  PHE  A  403  .  ?        ?  
 50  1  1  A  51  LYS  A  404  .  ?        ?  
 51  1  1  A  52  SER  A  405  .  ?        ?  
 52  1  1  A  53  LEU  A  406  .  ?        ?  
 53  1  1  A  54  ASP  A  407  .  ?        ?  
 54  1  1  A  55  PRO  A  408  .  ?        ?  
 55  1  1  A  56  GLU  A  409  .  ?        ?  
 56  1  1  A  57  PHE  A  410  .  ?        ?  
 57  1  1  A  58  GLY  A  411  .  ?        ?  
 58  1  1  A  59  THR  A  412  .  ?        ?  
 59  1  1  A  60  VAL  A  413  .  ?        ?  
 60  1  1  A  61  LYS  A  414  .  ?        ?  
 61  1  1  A  62  GLU  A  415  .  ?        ?  
 62  1  1  A  63  GLU  A  416  .  ?        ?  
 63  1  1  A  64  VAL  A  417  .  ?        ?  
 64  1  1  A  65  PHE  A  418  .  ?        ?  
 65  1  1  A  66  GLN  A  419  .  ?        ?  
 66  1  1  A  67  ASP  A  420  .  ?        ?  
 67  1  1  A  68  ASP  A  421  .  ?        ?  
 68  1  1  A  69  ALA  A  422  .  ?        ?  
 69  1  1  A  70  VAL  A  423  .  ?        ?  
 70  1  1  A  71  ILE  A  424  .  ?        ?  
 71  1  1  A  72  PRO  A  425  .  ?        ?  
 72  1  1  A  73  GLY  A  426  .  ?        ?  
 73  1  1  A  74  TRP  A  427  .  ?        ?  
 74  1  1  A  75  GLU  A  428  .  ?        ?  
 75  1  1  A  76  GLY  A  429  .  ?        ?  
 76  1  1  A  77  LYS  A  430  .  ?        ?  
 77  1  1  A  78  ILE  A  431  .  ?        ?  
 78  1  1  A  79  VAL  A  432  .  ?        ?  
 79  1  1  A  80  ALA  A  433  .  ?        ?  
 80  1  1  A  81  TRP  A  434  .  ?        ?  
 81  1  1  A  82  VAL  A  435  .  ?        ?  
 82  1  1  A  83  GLU  A  436  .  ?        ?  
 83  1  1  A  84  GLU  A  437  .  ?        ?  
 84  1  2  B   .  HOH  A  501  .  ?        ?  
 85  1  2  B   .  HOH  A  502  .  ?        ?  
 86  1  2  B   .  HOH  A  503  .  ?        ?  
 87  1  2  B   .  HOH  A  504  .  ?        ?  
 88  1  2  B   .  HOH  A  505  .  ?        ?  
 89  1  2  B   .  HOH  A  506  .  ?        ?  
 90  1  2  B   .  HOH  A  507  .  ?        ?  
 91  1  2  B   .  HOH  A  508  .  ?        ?  
 92  1  2  B   .  HOH  A  509  .  ?        ?  
 93  1  2  B   .  HOH  A  510  .  ?        ?  
 94  1  2  B   .  HOH  A  511  .  ?        ?  
 95  1  2  B   .  HOH  A  512  .  ?        ?  
 96  1  2  B   .  HOH  A  513  .  ?        ?  
 97  1  2  B   .  HOH  A  514  .  ?        ?  
 98  1  2  B   .  HOH  A  515  .  ?        ?  
 99  1  2  B   .  HOH  A  516  .  ?        ?  
100  1  2  B   .  HOH  A  517  .  ?        ?  
101  1  2  B   .  HOH  A  518  .  ?        ?  
102  1  2  B   .  HOH  A  519  .  ?        ?  
103  1  2  B   .  HOH  A  520  .  ?        ?  
104  1  2  B   .  HOH  A  521  .  ?        ?  
105  1  2  B   .  HOH  A  522  .  ?        ?  
106  1  2  B   .  HOH  A  523  .  ?        ?  
107  1  2  B   .  HOH  A  524  .  ?        ?  
108  1  2  B   .  HOH  A  525  .  ?        ?  
109  1  2  B   .  HOH  A  526  .  ?        ?  
110  1  2  B   .  HOH  A  527  .  ?        ?  
111  1  2  B   .  HOH  A  528  .  ?        ?  
112  1  2  B   .  HOH  A  529  .  ?        ?  
113  1  2  B   .  HOH  A  530  .  ?        ?  
114  1  2  B   .  HOH  A  531  .  ?        ?  
115  1  2  B   .  HOH  A  532  .  ?        ?  
116  1  2  B   .  HOH  A  533  .  ?        ?  
117  1  2  B   .  HOH  A  534  .  ?        ?  
118  1  2  B   .  HOH  A  535  .  ?        ?  
119  1  2  B   .  HOH  A  536  .  ?        ?  
120  1  2  B   .  HOH  A  537  .  ?        ?  
121  1  2  B   .  HOH  A  538  .  ?        ?  
122  1  2  B   .  HOH  A  539  .  ?        ?  
123  1  2  B   .  HOH  A  540  .  ?        ?  
124  1  2  B   .  HOH  A  541  .  ?        ?  
125  1  2  B   .  HOH  A  542  .  ?        ?  
126  1  2  B   .  HOH  A  543  .  ?        ?  
127  1  2  B   .  HOH  A  544  .  ?        ?  
128  1  2  B   .  HOH  A  545  .  ?        ?  
129  1  2  B   .  HOH  A  546  .  ?        ?  
130  1  2  B   .  HOH  A  547  .  ?        ?  
131  1  2  B   .  HOH  A  548  .  ?        ?  
132  1  2  B   .  HOH  A  549  .  ?        ?  
133  1  2  B   .  HOH  A  550  .  ?        ?  
134  1  2  B   .  HOH  A  551  .  ?        ?  
135  1  2  B   .  HOH  A  552  .  ?        ?  
136  1  2  B   .  HOH  A  553  .  ?        ?  
137  1  2  B   .  HOH  A  554  .  ?        ?  
138  1  2  B   .  HOH  A  555  .  ?        ?  
139  1  2  B   .  HOH  A  556  .  ?        ?  
140  1  2  B   .  HOH  A  557  .  ?        ?  
141  1  2  B   .  HOH  A  558  .  ?        ?  
142  1  2  B   .  HOH  A  559  .  ?        ?  
143  1  2  B   .  HOH  A  560  .  ?        ?  
144  1  2  B   .  HOH  A  561  .  ?        ?  
145  1  2  B   .  HOH  A  562  .  ?        ?  
146  1  2  B   .  HOH  A  563  .  ?        ?  
147  1  2  B   .  HOH  A  564  .  ?        ?  
148  1  2  B   .  HOH  A  565  .  ?        ?  
149  1  2  B   .  HOH  A  566  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
  1    1  Cg_exo        ?       ?  ?           7  93.530     8  0.15    11  0.21  molprobity  1.000  
  2    2  ?         -63.9   149.1  Favored     5  83.680     5  0.18     7  0.26  molprobity  1.000  
  3    3  ?         -70.6   151.2  Favored     5  67.030     5  0.20     7  0.28  molprobity  1.000  
  4    4  ?         -64.0   151.3  Favored     5  58.620     5  0.16     7  0.27  molprobity  1.000  
  5    5  t        -157.6   137.5  Favored     5  51.600     6  0.19     8  0.34  molprobity  1.000  
  6    6  m        -129.6   130.1  Favored     7  24.950     7  0.29    10  0.62  molprobity  1.000  
  7    7  tttt      -79.8   128.4  Favored    13  36.430     9  0.28    11  0.48  molprobity  1.000  
  8    8  t        -124.5   119.3  Favored     9  17.560     7  0.21    10  0.58  molprobity  1.000  
  9    9  tp       -106.0   130.3  Favored    11  19.680     8  0.20    11  0.63  molprobity  1.000  
 10   10  p90      -139.8   144.4  Favored     9  17.800    13  0.27    18  0.65  molprobity  1.000  
 11   11  m-85     -104.9   140.4  Favored     9  20.380    13  0.17    18  0.38  molprobity  1.000  
 12   12  p        -116.3   166.8  Favored     7  28.060     7  0.23    10  0.66  molprobity  1.000  
 13   13  m-20      -65.6   -28.1  Favored     4  69.920     8  0.15    11  0.29  molprobity  1.000  
 14   14  tmm_?     -71.7   -45.0  Favored    13  84.430    11  0.20    14  0.39  molprobity  1.000  
 15   15  t        -110.3   138.1  Favored     5  53.980     6  0.25     8  0.45  molprobity  1.000  
 16   16  mm?       -74.5   -27.9  Favored    11  51.360     8  0.22    11  0.42  molprobity  1.000  
 17   17  m         -86.2   131.6  Favored     7  30.340     7  0.18    11  0.40  molprobity  1.000  
 18   18  Cg_endo   -78.6   159.7  Favored     7  20.080     8  0.20    11  0.42  molprobity  1.000  
 19   19  m-85      -95.2   148.1  Favored     9  23.060    12  0.41    16  0.27  molprobity  1.000  
 20   20  tp       -121.0   128.7  Favored    11  23.030     8  0.20    11  0.24  molprobity  1.000  
 21   21  p        -143.7   157.1  Favored     9  25.360     7  0.26    10  0.39  molprobity  1.000  
 22   22  m-80     -115.3   135.6  Favored     6  45.570     8  0.26    11  0.29  molprobity  1.000  
 23   23  mt       -107.2   128.8  Favored    11  29.930     8  0.17    12  0.60  molprobity  1.000  
 24   24  Cg_endo   -75.0    46.6  Allowed     7  43.940     8  0.18    11  0.29  molprobity  1.000  
 25   25  mtpt     -144.4   154.5  Favored    13  41.050     9  0.25    11  0.40  molprobity  1.000  
 26   26  ttt85     -71.8   138.0  Favored    13  58.250    11  0.21    14  0.38  molprobity  1.000  
 27   27  tp        -59.4   126.6  Favored    11  35.280     8  0.19    11  0.39  molprobity  1.000  
 28   28  ?         113.8   -32.0  Favored     3  43.010     4  0.28     5  0.64  molprobity  1.000  
 29   29  m-20      -97.9   -22.2  Favored     4  45.650     8  0.16    11  0.29  molprobity  1.000  
 30   30  t         -63.2   126.2  Favored     9  32.760     7  0.14    10  0.40  molprobity  1.000  
 31   31  p        -112.1   169.5  Favored     7  31.940     7  0.21    10  0.61  molprobity  1.000  
 32   32  tp        -57.6   -38.8  Favored    11  25.650     8  0.25    11  0.30  molprobity  1.000  
 33   33  pt20      -67.9   -32.5  Favored     8  33.180     9  0.33    12  0.50  molprobity  1.000  
 34   34  m-20      -62.6   -43.5  Favored     4  31.410     8  0.17    11  0.42  molprobity  1.000  
 35   35  t80       -65.7   -48.1  Favored     9  20.150    12  0.38    16  0.28  molprobity  1.000  
 36   36  mttt      -54.7   -39.9  Favored    13  29.970     9  0.21    11  0.49  molprobity  1.000  
 37   37  ?         -67.5   -35.8  Favored     5  25.520     5  0.14     7  0.22  molprobity  1.000  
 38   38  ?         -70.7   -41.2  Favored     5  23.120     5  0.15     7  0.28  molprobity  1.000  
 39   39  t         -67.6   -44.8  Favored     9  28.630     7  0.22    10  0.50  molprobity  1.000  
 40   40  t0         52.2    56.3  Favored     4  58.770     8  0.15    11  0.30  molprobity  1.000  
 41   41  mtt85    -129.2   112.5  Favored    13  52.720    11  0.18    14  0.33  molprobity  1.000  
 42   42  m170      -70.0   146.5  Favored     7  87.320    11  0.15    15  0.28  molprobity  1.000  
 43   43  ?         138.6   173.3  Favored     3  67.570     4  0.26     5  0.30  molprobity  1.000  
 44   44  p         -89.6   101.0  Favored     5  64.250     6  0.24     8  0.26  molprobity  1.000  
 45   45  m-85     -117.5   158.1  Favored     9  45.410    12  0.35    16  0.40  molprobity  1.000  
 46   46  mtp180   -112.2   148.2  Favored    13  34.440    11  0.24    14  0.50  molprobity  1.000  
 47   47  m-85     -123.0   118.0  Favored     9  26.560    13  0.26    18  0.28  molprobity  1.000  
 48   48  m-70     -115.4   140.7  Favored     7  27.390    11  0.21    15  0.22  molprobity  1.000  
 49   49  m-85     -128.3   134.8  Favored     9  17.110    12  0.29    16  0.31  molprobity  1.000  
 50   50  tttt      -65.5   132.3  Favored    13  25.930     9  0.36    11  0.37  molprobity  1.000  
 51   51  t        -151.8   158.4  Favored     5  24.720     6  0.36     8  0.37  molprobity  1.000  
 52   52  tp       -102.9   111.1  Favored    11  26.690     8  0.27    11  0.28  molprobity  1.000  
 53   53  t70       -89.2   135.8  Favored     4  33.250     8  0.20    12  0.45  molprobity  1.000  
 54   54  Cg_endo   -64.5   -23.1  Favored     7  38.410     8  0.20    11  0.39  molprobity  1.000  
 55   55  mt-10     -98.8   -39.5  Favored     6  43.500     9  0.27    12  0.42  molprobity  1.000  
 56   56  m-85     -103.9   -11.8  Favored     9  32.330    12  0.35    16  0.51  molprobity  1.000  
 57   57  ?          87.0  -140.4  Favored     3  22.300     4  0.22     5  0.19  molprobity  1.000  
 58   58  m         -70.8   124.6  Favored     7  24.950     7  0.28    10  0.67  molprobity  1.000  
 59   59  m        -136.2   167.4  Favored     9  18.820     7  0.23    10  0.66  molprobity  1.000  
 60   60  mttt     -105.7   116.3  Favored    13  26.340     9  0.22    11  0.29  molprobity  1.000  
 61   61  tt0      -107.7   134.8  Favored     6  37.450     9  0.20    12  0.30  molprobity  1.000  
 62   62  tt0       -90.1   142.3  Favored     6  35.970     9  0.26    12  0.32  molprobity  1.000  
 63   63  t        -125.0   134.6  Favored     9  35.890     7  0.37    10  0.36  molprobity  1.000  
 64   64  m-85     -113.1   -41.9  Favored     9  51.990    12  0.37    16  0.45  molprobity  1.000  
 65   65  mm-40     -86.2   139.9  Favored     8  61.100     9  0.20    12  0.29  molprobity  1.000  
 66   66  m-20      -59.6   -34.9  Favored     4  48.980     8  0.17    11  0.37  molprobity  1.000  
 67   67  p30       -91.1     2.6  Favored     4  57.990     8  0.13    11  0.31  molprobity  1.000  
 68   68  ?         -75.3   137.7  Favored     5  41.750     5  0.21     7  0.51  molprobity  1.000  
 69   69  t         -72.0   132.5  Favored     9  34.110     7  0.15    10  0.53  molprobity  1.000  
 70   70  mm        -83.8   128.5  Favored    11  25.550     8  0.18    12  0.48  molprobity  1.000  
 71   71  Cg_endo   -69.9   151.2  Favored     7  26.470     8  0.19    11  0.34  molprobity  1.000  
 72   72  ?        -114.2   167.1  Favored     3  29.170     4  0.48     5  0.53  molprobity  1.000  
 73   73  t90      -134.6   119.7  Favored    10  43.910    16  0.23    23  0.39  molprobity  1.000  
 74   74  mt-10      47.0    46.5  Favored     6  44.750     9  0.21    12  0.23  molprobity  1.000  
 75   75  ?          78.2     2.8  Favored     3  30.990     4  0.25     5  0.45  molprobity  1.000  
 76   76  mtmm     -125.0   177.9  Favored    13  32.110     9  0.30    11  0.24  molprobity  1.000  
 77   77  mt       -115.8   128.2  Favored    11  17.060     8  0.22    11  0.45  molprobity  1.000  
 78   78  t        -121.9   121.3  Favored     9  15.380     7  0.25    10  0.60  molprobity  1.000  
 79   79  ?        -130.9   151.8  Favored     5  16.540     5  0.33     7  0.67  molprobity  1.000  
 80   80  m-90     -119.7   122.6  Favored    10  23.990    16  0.28    23  0.40  molprobity  1.000  
 81   81  t        -108.0   106.4  Favored     9  25.930     7  0.20    10  0.33  molprobity  1.000  
 82   82  mt-10    -112.3   132.1  Favored     6  56.190     9  0.21    12  0.36  molprobity  1.000  
 83   83  pt-20         ?       ?  ?           6  66.870     8  0.20     9  0.27  molprobity  1.000  
 84   84  ?             ?       ?  ?           ?  53.050     ?     ?     ?     ?  ?           1.000  
 85   85  ?             ?       ?  ?           ?  54.510     ?     ?     ?     ?  ?           1.000  
 86   86  ?             ?       ?  ?           ?  28.070     ?     ?     ?     ?  ?           1.000  
 87   87  ?             ?       ?  ?           ?  43.500     ?     ?     ?     ?  ?           1.000  
 88   88  ?             ?       ?  ?           ?  43.620     ?     ?     ?     ?  ?           1.000  
 89   89  ?             ?       ?  ?           ?  45.000     ?     ?     ?     ?  ?           1.000  
 90   90  ?             ?       ?  ?           ?  52.410     ?     ?     ?     ?  ?           1.000  
 91   91  ?             ?       ?  ?           ?  44.250     ?     ?     ?     ?  ?           1.000  
 92   92  ?             ?       ?  ?           ?  34.010     ?     ?     ?     ?  ?           1.000  
 93   93  ?             ?       ?  ?           ?  51.410     ?     ?     ?     ?  ?           1.000  
 94   94  ?             ?       ?  ?           ?  31.770     ?     ?     ?     ?  ?           1.000  
 95   95  ?             ?       ?  ?           ?  19.230     ?     ?     ?     ?  ?           1.000  
 96   96  ?             ?       ?  ?           ?  35.250     ?     ?     ?     ?  ?           1.000  
 97   97  ?             ?       ?  ?           ?  32.190     ?     ?     ?     ?  ?           1.000  
 98   98  ?             ?       ?  ?           ?  31.010     ?     ?     ?     ?  ?           1.000  
 99   99  ?             ?       ?  ?           ?  32.820     ?     ?     ?     ?  ?           1.000  
100  100  ?             ?       ?  ?           ?  44.920     ?     ?     ?     ?  ?           1.000  
101  101  ?             ?       ?  ?           ?  28.030     ?     ?     ?     ?  ?           1.000  
102  102  ?             ?       ?  ?           ?  30.860     ?     ?     ?     ?  ?           1.000  
103  103  ?             ?       ?  ?           ?  39.210     ?     ?     ?     ?  ?           1.000  
104  104  ?             ?       ?  ?           ?  31.070     ?     ?     ?     ?  ?           1.000  
105  105  ?             ?       ?  ?           ?  34.310     ?     ?     ?     ?  ?           1.000  
106  106  ?             ?       ?  ?           ?  50.360     ?     ?     ?     ?  ?           1.000  
107  107  ?             ?       ?  ?           ?  33.440     ?     ?     ?     ?  ?           1.000  
108  108  ?             ?       ?  ?           ?  38.580     ?     ?     ?     ?  ?           1.000  
109  109  ?             ?       ?  ?           ?  56.670     ?     ?     ?     ?  ?           1.000  
110  110  ?             ?       ?  ?           ?  21.920     ?     ?     ?     ?  ?           1.000  
111  111  ?             ?       ?  ?           ?  37.130     ?     ?     ?     ?  ?           1.000  
112  112  ?             ?       ?  ?           ?  40.360     ?     ?     ?     ?  ?           1.000  
113  113  ?             ?       ?  ?           ?  40.760     ?     ?     ?     ?  ?           1.000  
114  114  ?             ?       ?  ?           ?  41.960     ?     ?     ?     ?  ?           1.000  
115  115  ?             ?       ?  ?           ?  39.110     ?     ?     ?     ?  ?           1.000  
116  116  ?             ?       ?  ?           ?  52.280     ?     ?     ?     ?  ?           1.000  
117  117  ?             ?       ?  ?           ?  33.250     ?     ?     ?     ?  ?           1.000  
118  118  ?             ?       ?  ?           ?  39.420     ?     ?     ?     ?  ?           1.000  
119  119  ?             ?       ?  ?           ?  51.190     ?     ?     ?     ?  ?           1.000  
120  120  ?             ?       ?  ?           ?  45.520     ?     ?     ?     ?  ?           1.000  
121  121  ?             ?       ?  ?           ?  48.280     ?     ?     ?     ?  ?           1.000  
122  122  ?             ?       ?  ?           ?  32.850     ?     ?     ?     ?  ?           1.000  
123  123  ?             ?       ?  ?           ?  48.340     ?     ?     ?     ?  ?           1.000  
124  124  ?             ?       ?  ?           ?  49.530     ?     ?     ?     ?  ?           1.000  
125  125  ?             ?       ?  ?           ?  54.310     ?     ?     ?     ?  ?           1.000  
126  126  ?             ?       ?  ?           ?  51.080     ?     ?     ?     ?  ?           1.000  
127  127  ?             ?       ?  ?           ?  47.620     ?     ?     ?     ?  ?           1.000  
128  128  ?             ?       ?  ?           ?  50.310     ?     ?     ?     ?  ?           1.000  
129  129  ?             ?       ?  ?           ?  39.210     ?     ?     ?     ?  ?           1.000  
130  130  ?             ?       ?  ?           ?  32.750     ?     ?     ?     ?  ?           1.000  
131  131  ?             ?       ?  ?           ?  38.680     ?     ?     ?     ?  ?           1.000  
132  132  ?             ?       ?  ?           ?  48.020     ?     ?     ?     ?  ?           1.000  
133  133  ?             ?       ?  ?           ?  54.340     ?     ?     ?     ?  ?           1.000  
134  134  ?             ?       ?  ?           ?  46.020     ?     ?     ?     ?  ?           1.000  
135  135  ?             ?       ?  ?           ?  60.620     ?     ?     ?     ?  ?           1.000  
136  136  ?             ?       ?  ?           ?  48.520     ?     ?     ?     ?  ?           1.000  
137  137  ?             ?       ?  ?           ?  48.900     ?     ?     ?     ?  ?           1.000  
138  138  ?             ?       ?  ?           ?  58.950     ?     ?     ?     ?  ?           1.000  
139  139  ?             ?       ?  ?           ?  47.440     ?     ?     ?     ?  ?           1.000  
140  140  ?             ?       ?  ?           ?  53.380     ?     ?     ?     ?  ?           1.000  
141  141  ?             ?       ?  ?           ?  36.620     ?     ?     ?     ?  ?           1.000  
142  142  ?             ?       ?  ?           ?  51.860     ?     ?     ?     ?  ?           1.000  
143  143  ?             ?       ?  ?           ?  39.250     ?     ?     ?     ?  ?           1.000  
144  144  ?             ?       ?  ?           ?  62.350     ?     ?     ?     ?  ?           1.000  
145  145  ?             ?       ?  ?           ?  37.340     ?     ?     ?     ?  ?           1.000  
146  146  ?             ?       ?  ?           ?  52.210     ?     ?     ?     ?  ?           1.000  
147  147  ?             ?       ?  ?           ?  58.180     ?     ?     ?     ?  ?           1.000  
148  148  ?             ?       ?  ?           ?  60.030     ?     ?     ?     ?  ?           1.000  
149  149  ?             ?       ?  ?           ?  40.800     ?     ?     ?     ?  ?           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  10  OH   1  0.66  2.29  
2  41  NH1  1  0.66  2.29  
#
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   7  0.624  0.363   4.826  
  2    2   5  0.689  0.427   6.619  
  3    3   5  0.947  0.271   3.442  
  4    4   5  0.950  0.248   2.974  
  5    5   6  0.934  0.137   0.500  
  6    6   7  0.940  0.084  -0.421  
  7    7   9  0.966  0.110  -0.525  
  8    8   7  0.984  0.099  -0.204  
  9    9   8  0.981  0.118   0.130  
 10   10  12  0.979  0.101  -0.044  
 11   11  12  0.959  0.086  -0.388  
 12   12   7  0.974  0.063  -0.832  
 13   13   8  0.914  0.159   0.640  
 14   14  11  0.831  0.275   2.220  
 15   15   6  0.918  0.132   0.410  
 16   16   8  0.907  0.202   2.009  
 17   17   7  0.949  0.107   0.029  
 18   18   7  0.989  0.114   0.163  
 19   19  11  0.984  0.117   0.276  
 20   20   8  0.977  0.113   0.018  
 21   21   7  0.964  0.135   0.596  
 22   22   8  0.932  0.132   0.286  
 23   23   8  0.968  0.089  -0.525  
 24   24   7  0.908  0.142   0.687  
 25   25   9  0.958  0.109  -0.540  
 26   26  11  0.943  0.147   0.238  
 27   27   8  0.924  0.105  -0.161  
 28   28   4  0.941  0.101  -0.020  
 29   29   8  0.963  0.140   0.337  
 30   30   7  0.980  0.059  -1.093  
 31   31   7  0.977  0.076  -0.577  
 32   32   8  0.965  0.086  -0.586  
 33   33   9  0.963  0.090  -0.598  
 34   34   8  0.980  0.062  -0.907  
 35   35  11  0.966  0.084  -0.490  
 36   36   9  0.956  0.097  -0.715  
 37   37   5  0.981  0.080  -0.448  
 38   38   5  0.974  0.061  -0.835  
 39   39   7  0.973  0.089  -0.427  
 40   40   8  0.958  0.113  -0.094  
 41   41  11  0.909  0.140   0.130  
 42   42  10  0.694  0.363   4.444  
 43   43   4  0.885  0.132   0.534  
 44   44   6  0.900  0.190   1.450  
 45   45  11  0.939  0.115   0.230  
 46   46  11  0.962  0.094  -0.582  
 47   47  12  0.962  0.102  -0.021  
 48   48  10  0.978  0.101  -0.153  
 49   49  11  0.983  0.105  -0.002  
 50   50   9  0.964  0.111  -0.511  
 51   51   6  0.958  0.094  -0.271  
 52   52   8  0.979  0.069  -0.966  
 53   53   8  0.961  0.086  -0.525  
 54   54   7  0.969  0.080  -0.474  
 55   55   9  0.910  0.150   0.123  
 56   56  11  0.967  0.083  -0.513  
 57   57   4  0.988  0.052  -0.895  
 58   58   7  0.979  0.079  -0.519  
 59   59   7  0.963  0.107  -0.027  
 60   60   9  0.975  0.122  -0.351  
 61   61   9  0.939  0.130  -0.160  
 62   62   9  0.931  0.098  -0.612  
 63   63   7  0.943  0.086  -0.493  
 64   64  11  0.942  0.112   0.160  
 65   65   9  0.899  0.216   1.359  
 66   66   8  0.957  0.129   0.161  
 67   67   8  0.890  0.269   2.394  
 68   68   5  0.944  0.077  -0.509  
 69   69   7  0.971  0.088  -0.449  
 70   70   8  0.972  0.072  -0.913  
 71   71   7  0.967  0.081  -0.455  
 72   72   4  0.972  0.069  -0.591  
 73   73  14  0.920  0.125   0.634  
 74   74   9  0.948  0.097  -0.626  
 75   75   4  0.980  0.068  -0.609  
 76   76   9  0.951  0.099  -0.686  
 77   77   8  0.982  0.101  -0.251  
 78   78   7  0.973  0.116   0.173  
 79   79   5  0.979  0.127   0.509  
 80   80  14  0.971  0.096  -0.093  
 81   81   7  0.975  0.085  -0.516  
 82   82   9  0.902  0.142   0.010  
 83   83   9  0.599  0.302   2.270  
 84   84   1  0.663  0.258       ?  
 85   85   1  0.586  0.320       ?  
 86   86   1  0.937  0.092       ?  
 87   87   1  0.930  0.292       ?  
 88   88   1  0.934  0.122       ?  
 89   89   1  0.903  0.128       ?  
 90   90   1  0.842  0.143       ?  
 91   91   1  0.881  0.126       ?  
 92   92   1  0.898  0.116       ?  
 93   93   1  0.878  0.114       ?  
 94   94   1  0.934  0.120       ?  
 95   95   1  0.974  0.135       ?  
 96   96   1  0.982  0.090       ?  
 97   97   1  0.951  0.166       ?  
 98   98   1  0.924  0.097       ?  
 99   99   1  0.974  0.079       ?  
100  100   1  0.918  0.222       ?  
101  101   1  0.980  0.160       ?  
102  102   1  0.975  0.081       ?  
103  103   1  0.926  0.116       ?  
104  104   1  0.966  0.063       ?  
105  105   1  0.971  0.060       ?  
106  106   1  0.965  0.148       ?  
107  107   1  0.946  0.117       ?  
108  108   1  0.959  0.114       ?  
109  109   1  0.902  0.251       ?  
110  110   1  0.981  0.084       ?  
111  111   1  0.961  0.090       ?  
112  112   1  0.835  0.176       ?  
113  113   1  0.951  0.142       ?  
114  114   1  0.840  0.266       ?  
115  115   1  0.850  0.267       ?  
116  116   1  0.846  0.155       ?  
117  117   1  0.901  0.107       ?  
118  118   1  0.966  0.077       ?  
119  119   1  0.927  0.146       ?  
120  120   1  0.852  0.170       ?  
121  121   1  0.858  0.109       ?  
122  122   1  0.931  0.114       ?  
123  123   1  0.930  0.096       ?  
124  124   1  0.926  0.152       ?  
125  125   1  0.907  0.313       ?  
126  126   1  0.848  0.251       ?  
127  127   1  0.773  0.177       ?  
128  128   1  0.911  0.121       ?  
129  129   1  0.812  0.143       ?  
130  130   1  0.964  0.078       ?  
131  131   1  0.938  0.095       ?  
132  132   1  0.903  0.078       ?  
133  133   1  0.816  0.121       ?  
134  134   1  0.872  0.192       ?  
135  135   1  0.872  0.083       ?  
136  136   1  0.841  0.173       ?  
137  137   1  0.909  0.185       ?  
138  138   1  0.798  0.142       ?  
139  139   1  0.939  0.100       ?  
140  140   1  0.767  0.357       ?  
141  141   1  0.895  0.163       ?  
142  142   1  0.767  0.238       ?  
143  143   1  0.771  0.184       ?  
144  144   1  0.785  0.180       ?  
145  145   1  0.885  0.155       ?  
146  146   1  0.728  0.155       ?  
147  147   1  0.927  0.138       ?  
148  148   1  0.876  0.245       ?  
149  149   1  0.927  0.158       ?  
#
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  
##
