data_5KC5

_pdbx_vrpt_database.id    PDB
_pdbx_vrpt_database.code  5KC5
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    5KC5
_pdbx_vrpt_summary.PDB_deposition_date         2016-06-05
_pdbx_vrpt_summary.PDB_revision_number         3
_pdbx_vrpt_summary.PDB_revision_date           2024-01-10
_pdbx_vrpt_summary.report_creation_date        2024-01-04:09:07
_pdbx_vrpt_summary.attempted_validation_steps  molprobity,validation-pack,xtriage,eds,mogul,percentiles,writexml,writecif,writepdf
_pdbx_vrpt_summary.ligands_for_buster_report   N
#
loop_
_pdbx_vrpt_entity.id
_pdbx_vrpt_entity.type
_pdbx_vrpt_entity.description
1  polymer      Cerebellin-1                              
2  non-polymer  2-acetamido-2-deoxy-beta-D-glucopyranose  
3  water        water                                     
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  3  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all    x-ray  
2  2.351  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  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   93.28  141614     ?     ?  
2  2  1   95.21    1232  2.36  2.36  
3  1  2  100.00  138981     ?     ?  
4  2  2  100.00    1211  2.36  2.36  
5  1  3   45.72  138945     ?     ?  
6  2  3   55.86    1212  2.36  2.36  
7  1  4    0.71  130704     ?     ?  
8  2  4    0.09    1164  2.36  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  100.00  
2  4  2  A  1  1  A  100.00  
3  5  3  A  1  1  A   45.72  
4  6  3  A  1  1  A   55.86  
#
_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      0.38
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.22
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   1105
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  1491
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       2.59
_pdbx_vrpt_summary_geometry.clashscore                     1.38
_pdbx_vrpt_summary_geometry.num_H_reduce                   1076
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 1105
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.22
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1491
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.38
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 64.732
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            29.538
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         83.286
_pdbx_vrpt_summary_diffraction.I_over_sigma              0.96(2.34A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        8497
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.751
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.349
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.455
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.307
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.930
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.169
_pdbx_vrpt_summary_diffraction.DCC_R                     0.35
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.35
_pdbx_vrpt_summary_diffraction.EDS_R                     0.40
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.35
_pdbx_vrpt_summary_diffraction.EDS_res_low               50.57
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[85.395,85.395,80.337,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.060
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 11.30% 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         66
_pdbx_vrpt_summary_diffraction.centric_outliers          5
_pdbx_vrpt_summary_diffraction.data_completeness         99.98
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      407
_pdbx_vrpt_summary_diffraction.percent_free_reflections  4.79
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.35
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        50.55
_pdbx_vrpt_summary_diffraction.PDB_R                     0.18
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.20
#
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    3  GLY  A   58  .  ?        ?  
  2  1  1  A    4  SER  A   59  .  ?        ?  
  3  1  1  A    5  ALA  A   60  .  ?        ?  
  4  1  1  A    6  LYS  A   61  .  ?        ?  
  5  1  1  A    7  VAL  A   62  .  ?        ?  
  6  1  1  A    8  ALA  A   63  .  ?        ?  
  7  1  1  A    9  PHE  A   64  .  ?        ?  
  8  1  1  A   10  SER  A   65  .  ?        ?  
  9  1  1  A   11  ALA  A   66  .  ?        ?  
 10  1  1  A   12  ILE  A   67  .  ?        ?  
 11  1  1  A   13  ARG  A   68  .  ?        ?  
 12  1  1  A   14  SER  A   69  .  ?        ?  
 13  1  1  A   15  THR  A   70  .  ?        ?  
 14  1  1  A   16  ASN  A   71  .  ?        ?  
 15  1  1  A   17  HIS  A   72  .  ?        ?  
 16  1  1  A   18  GLU  A   73  .  ?        ?  
 17  1  1  A   19  PRO  A   74  .  ?        ?  
 18  1  1  A   20  SER  A   75  .  ?        ?  
 19  1  1  A   21  GLU  A   76  .  ?        ?  
 20  1  1  A   22  MET  A   77  .  ?        ?  
 21  1  1  A   23  SER  A   78  .  ?        ?  
 22  1  1  A   24  ASN  A   79  .  ?        ?  
 23  1  1  A   25  ARG  A   80  .  ?        ?  
 24  1  1  A   26  THR  A   81  .  ?        ?  
 25  1  1  A   27  MET  A   82  .  ?        ?  
 26  1  1  A   28  ILE  A   83  .  ?        ?  
 27  1  1  A   29  ILE  A   84  .  ?        ?  
 28  1  1  A   30  TYR  A   85  .  ?        ?  
 29  1  1  A   31  PHE  A   86  .  ?        ?  
 30  1  1  A   32  ASP  A   87  .  ?        ?  
 31  1  1  A   33  GLN  A   88  .  ?        ?  
 32  1  1  A   34  VAL  A   89  .  ?        ?  
 33  1  1  A   35  LEU  A   90  .  ?        ?  
 34  1  1  A   36  VAL  A   91  .  ?        ?  
 35  1  1  A   37  ASN  A   92  .  ?        ?  
 36  1  1  A   38  ILE  A   93  .  ?        ?  
 37  1  1  A   39  GLY  A   94  .  ?        ?  
 38  1  1  A   40  ASN  A   95  .  ?        ?  
 39  1  1  A   41  ASN  A   96  .  ?        ?  
 40  1  1  A   42  PHE  A   97  .  ?        ?  
 41  1  1  A   43  ASP  A   98  .  ?        1  
 42  1  1  A   44  SER  A   99  .  ?        ?  
 43  1  1  A   45  GLU  A  100  .  ?        ?  
 44  1  1  A   46  ARG  A  101  .  ?        ?  
 45  1  1  A   47  SER  A  102  .  ?        1  
 46  1  1  A   48  THR  A  103  .  ?        ?  
 47  1  1  A   49  PHE  A  104  .  ?        ?  
 48  1  1  A   50  ILE  A  105  .  ?        ?  
 49  1  1  A   51  ALA  A  106  .  ?        ?  
 50  1  1  A   52  PRO  A  107  .  ?        ?  
 51  1  1  A   53  ARG  A  108  .  ?        ?  
 52  1  1  A   54  LYS  A  109  .  ?        ?  
 53  1  1  A   55  GLY  A  110  .  ?        ?  
 54  1  1  A   56  ILE  A  111  .  ?        ?  
 55  1  1  A   57  TYR  A  112  .  ?        ?  
 56  1  1  A   58  SER  A  113  .  ?        ?  
 57  1  1  A   59  PHE  A  114  .  ?        ?  
 58  1  1  A   60  ASN  A  115  .  ?        ?  
 59  1  1  A   61  PHE  A  116  .  ?        ?  
 60  1  1  A   62  HIS  A  117  .  ?        ?  
 61  1  1  A   63  VAL  A  118  .  ?        ?  
 62  1  1  A   64  VAL  A  119  .  ?        ?  
 63  1  1  A   65  LYS  A  120  .  ?        1  
 64  1  1  A   66  VAL  A  121  .  ?        ?  
 65  1  1  A   67  TYR  A  122  .  ?        ?  
 66  1  1  A   68  ASN  A  123  .  ?        1  
 67  1  1  A   69  ARG  A  124  .  ?        ?  
 68  1  1  A   70  GLN  A  125  .  ?        ?  
 69  1  1  A   71  THR  A  126  .  ?        ?  
 70  1  1  A   72  ILE  A  127  .  ?        ?  
 71  1  1  A   73  GLN  A  128  .  ?        ?  
 72  1  1  A   74  VAL  A  129  .  ?        ?  
 73  1  1  A   75  SER  A  130  .  ?        ?  
 74  1  1  A   76  LEU  A  131  .  ?        ?  
 75  1  1  A   77  MET  A  132  .  ?        ?  
 76  1  1  A   78  LEU  A  133  .  ?        ?  
 77  1  1  A   79  ASN  A  134  .  ?        ?  
 78  1  1  A   80  GLY  A  135  .  ?        ?  
 79  1  1  A   81  TRP  A  136  .  ?        ?  
 80  1  1  A   82  PRO  A  137  .  ?        ?  
 81  1  1  A   83  VAL  A  138  .  ?        ?  
 82  1  1  A   84  ILE  A  139  .  ?        ?  
 83  1  1  A   85  SER  A  140  .  ?        ?  
 84  1  1  A   86  ALA  A  141  .  ?        ?  
 85  1  1  A   87  PHE  A  142  .  ?        ?  
 86  1  1  A   88  ALA  A  143  .  ?        ?  
 87  1  1  A   89  GLY  A  144  .  ?        ?  
 88  1  1  A   90  ASP  A  145  .  ?        ?  
 89  1  1  A   91  GLN  A  146  .  ?        1  
 90  1  1  A   92  ASP  A  147  .  ?        ?  
 91  1  1  A   93  VAL  A  148  .  ?        ?  
 92  1  1  A   94  THR  A  149  .  ?        1  
 93  1  1  A   95  ARG  A  150  .  ?        ?  
 94  1  1  A   96  GLU  A  151  .  ?        ?  
 95  1  1  A   97  ALA  A  152  .  ?        ?  
 96  1  1  A   98  ALA  A  153  .  ?        ?  
 97  1  1  A   99  SER  A  154  .  ?        ?  
 98  1  1  A  100  ASN  A  155  .  ?        ?  
 99  1  1  A  101  GLY  A  156  .  ?        ?  
100  1  1  A  102  VAL  A  157  .  ?        ?  
101  1  1  A  103  LEU  A  158  .  ?        ?  
102  1  1  A  104  ILE  A  159  .  ?        ?  
103  1  1  A  105  GLN  A  160  .  ?        ?  
104  1  1  A  106  MET  A  161  .  ?        ?  
105  1  1  A  107  GLU  A  162  .  ?        ?  
106  1  1  A  108  LYS  A  163  .  ?        ?  
107  1  1  A  109  GLY  A  164  .  ?        ?  
108  1  1  A  110  ASP  A  165  .  ?        ?  
109  1  1  A  111  ARG  A  166  .  ?        ?  
110  1  1  A  112  ALA  A  167  .  ?        ?  
111  1  1  A  113  TYR  A  168  .  ?        ?  
112  1  1  A  114  LEU  A  169  .  ?        ?  
113  1  1  A  115  LYS  A  170  .  ?        ?  
114  1  1  A  116  LEU  A  171  .  ?        ?  
115  1  1  A  117  GLU  A  172  .  ?        ?  
116  1  1  A  118  ARG  A  173  .  ?        ?  
117  1  1  A  119  GLY  A  174  .  ?        ?  
118  1  1  A  120  ASN  A  175  .  ?        ?  
119  1  1  A  121  LEU  A  176  .  ?        ?  
120  1  1  A  122  MET  A  177  .  ?        ?  
121  1  1  A  123  GLY  A  178  .  ?        ?  
122  1  1  A  124  GLY  A  179  .  ?        ?  
123  1  1  A  125  TRP  A  180  .  ?        ?  
124  1  1  A  126  LYS  A  181  .  ?        ?  
125  1  1  A  127  TYR  A  182  .  ?        ?  
126  1  1  A  128  SER  A  183  .  ?        ?  
127  1  1  A  129  THR  A  184  .  ?        ?  
128  1  1  A  130  PHE  A  185  .  ?        ?  
129  1  1  A  131  SER  A  186  .  ?        ?  
130  1  1  A  132  GLY  A  187  .  ?        ?  
131  1  1  A  133  PHE  A  188  .  ?        ?  
132  1  1  A  134  LEU  A  189  .  ?        ?  
133  1  1  A  135  VAL  A  190  .  ?        ?  
134  1  1  A  136  PHE  A  191  .  ?        ?  
135  1  1  A  137  PRO  A  192  .  ?        ?  
136  1  1  A  138  LEU  A  193  .  ?        ?  
137  1  1  A  139  GLY  A  194  .  ?        ?  
138  1  2  B    .  NAG  A  301  .  ?        ?  
139  1  3  C    .  HOH  A  401  .  ?        ?  
140  1  3  C    .  HOH  A  402  .  ?        ?  
141  1  3  C    .  HOH  A  403  .  ?        ?  
142  1  3  C    .  HOH  A  404  .  ?        ?  
143  1  3  C    .  HOH  A  405  .  ?        ?  
144  1  3  C    .  HOH  A  406  .  ?        ?  
145  1  3  C    .  HOH  A  407  .  ?        ?  
146  1  3  C    .  HOH  A  408  .  ?        ?  
147  1  3  C    .  HOH  A  409  .  ?        ?  
148  1  3  C    .  HOH  A  410  .  ?        ?  
149  1  3  C    .  HOH  A  411  .  ?        ?  
150  1  3  C    .  HOH  A  412  .  ?        ?  
151  1  3  C    .  HOH  A  413  .  ?        ?  
152  1  3  C    .  HOH  A  414  .  ?        ?  
153  1  3  C    .  HOH  A  415  .  ?        ?  
154  1  3  C    .  HOH  A  416  .  ?        ?  
155  1  3  C    .  HOH  A  417  .  ?        ?  
156  1  3  C    .  HOH  A  418  .  ?        ?  
157  1  3  C    .  HOH  A  419  .  ?        ?  
158  1  3  C    .  HOH  A  420  .  ?        ?  
159  1  3  C    .  HOH  A  421  .  ?        ?  
160  1  3  C    .  HOH  A  422  .  ?        ?  
161  1  3  C    .  HOH  A  423  .  ?        ?  
162  1  3  C    .  HOH  A  424  .  ?        ?  
163  1  3  C    .  HOH  A  425  .  ?        ?  
164  1  3  C    .  HOH  A  426  .  ?        ?  
165  1  3  C    .  HOH  A  427  .  ?        ?  
166  1  3  C    .  HOH  A  428  .  ?        ?  
167  1  3  C    .  HOH  A  429  .  ?        ?  
168  1  3  C    .  HOH  A  430  .  ?        ?  
169  1  3  C    .  HOH  A  431  .  ?        ?  
170  1  3  C    .  HOH  A  432  .  ?        ?  
171  1  3  C    .  HOH  A  433  .  ?        ?  
172  1  3  C    .  HOH  A  434  .  ?        ?  
173  1  3  C    .  HOH  A  435  .  ?        ?  
174  1  3  C    .  HOH  A  436  .  ?        ?  
175  1  3  C    .  HOH  A  437  .  ?        ?  
176  1  3  C    .  HOH  A  438  .  ?        ?  
177  1  3  C    .  HOH  A  439  .  ?        ?  
178  1  3  C    .  HOH  A  440  .  ?        ?  
179  1  3  C    .  HOH  A  441  .  ?        ?  
180  1  3  C    .  HOH  A  442  .  ?        ?  
181  1  3  C    .  HOH  A  443  .  ?        ?  
182  1  3  C    .  HOH  A  444  .  ?        ?  
183  1  3  C    .  HOH  A  445  .  ?        ?  
184  1  3  C    .  HOH  A  446  .  ?        ?  
185  1  3  C    .  HOH  A  447  .  ?        ?  
186  1  3  C    .  HOH  A  448  .  ?        ?  
187  1  3  C    .  HOH  A  449  .  ?        ?  
188  1  3  C    .  HOH  A  450  .  ?        ?  
189  1  3  C    .  HOH  A  451  .  ?        ?  
190  1  3  C    .  HOH  A  452  .  ?        ?  
191  1  3  C    .  HOH  A  453  .  ?        ?  
192  1  3  C    .  HOH  A  454  .  ?        ?  
193  1  3  C    .  HOH  A  455  .  ?        ?  
#
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.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
  1    1  ?             ?       ?  ?           ?   2   4  0.23   5  0.27  molprobity  
  2    2  t         -69.3   133.8  Favored     ?   5   6  0.17   8  0.24  molprobity  
  3    3  ?         -97.7     4.1  Favored     ?   5   5  0.13   7  0.23  molprobity  
  4    4  mttt     -105.7   100.2  Favored     ?  13   9  0.23  11  0.28  molprobity  
  5    5  t        -137.9   124.0  Favored     ?   9   7  0.13  10  0.42  molprobity  
  6    6  ?        -162.4   149.1  Favored     ?   5   5  0.16   7  0.24  molprobity  
  7    7  p90      -141.5   157.2  Favored     ?   9  12  0.34  16  0.26  molprobity  
  8    8  t        -157.1   125.3  Favored     ?   5   6  0.19   8  0.26  molprobity  
  9    9  ?        -135.7   150.6  Favored     ?   5   5  0.13   7  0.27  molprobity  
 10   10  pt       -136.8   155.7  Favored     ?  11   8  0.15  11  0.52  molprobity  
 11   11  tpt180    -97.4   115.0  Favored     ?  13  11  0.15  14  0.39  molprobity  
 12   12  p        -107.6    21.6  Favored     ?   5   6  0.18   8  0.44  molprobity  
 13   13  m        -151.6   155.0  Favored     ?   7   7  0.28  10  0.70  molprobity  
 14   14  m-20      -87.8     5.9  Favored     ?   6   8  0.24  11  0.31  molprobity  
 15   15  m170      -59.5   150.4  Favored     ?   7  11  0.16  15  0.28  molprobity  
 16   16  mm-40     -75.1   163.7  Favored     ?   6   9  0.22  13  0.39  molprobity  
 17   17  Cg_exo    -61.0   147.8  Favored     ?   7   8  0.18  11  0.23  molprobity  
 18   18  p         -77.2   173.1  Favored     ?   5   6  0.19   8  0.22  molprobity  
 19   19  tm-20     -69.1   -38.3  Favored     ?   6   9  0.33  12  0.37  molprobity  
 20   20  tpp       -73.0   -33.3  Favored     ?   9   8  0.26  10  0.38  molprobity  
 21   21  m         -68.6   -33.2  Favored     ?   5   6  0.17   8  0.26  molprobity  
 22   22  m-20      -63.2   -22.1  Favored     ?   5   8  0.33  11  0.25  molprobity  
 23   23  mtp180    -92.2   -48.4  Favored     ?  13  11  0.17  14  0.42  molprobity  
 24   24  p         -82.3   -19.8  Favored     ?   7   7  0.22  10  0.66  molprobity  
 25   25  mmm        60.6    15.3  Favored     ?   9   8  0.26  10  0.40  molprobity  
 26   26  mt        -87.5   136.5  Favored     ?  11   8  0.17  11  0.46  molprobity  
 27   27  mt        -85.7   125.9  Favored     ?  11   8  0.15  11  0.44  molprobity  
 28   28  t80       -96.9   144.6  Favored     ?   9  13  0.23  18  0.32  molprobity  
 29   29  m-85     -128.2   112.6  Favored     ?   9  12  0.30  16  0.23  molprobity  
 30   30  p-10      -74.9   -35.5  Favored     ?   4   8  0.15  11  0.33  molprobity  
 31   31  tt0      -104.4   119.8  Favored     ?   8   9  0.21  12  0.35  molprobity  
 32   32  t        -106.8   107.9  Favored     ?   9   7  0.14  10  0.41  molprobity  
 33   33  mt        -78.5   -37.1  Favored     ?  11   8  0.19  11  0.28  molprobity  
 34   34  t        -135.7   144.6  Favored     ?   9   7  0.14  10  0.40  molprobity  
 35   35  t-20     -164.6    55.9  Allowed     ?   6   8  0.25  11  0.28  molprobity  
 36   36  mm        -69.9   125.5  Favored     ?  11   8  0.16  11  0.42  molprobity  
 37   37  ?          98.3   -19.3  Favored     ?   3   4  0.23   5  0.45  molprobity  
 38   38  OUTLIER    62.8    30.7  Favored     ?   6   8  0.21  11  0.32  molprobity  
 39   39  m120      -90.7    -3.9  Favored     ?   6   8  0.23  11  0.39  molprobity  
 40   40  t80      -100.2   117.4  Favored     ?   9  12  0.31  16  0.21  molprobity  
 41   41  t0        -82.8    98.5  Favored     ?   4   8  0.16  11  0.36  molprobity  
 42   42  p         -64.6   -29.2  Favored     ?   5   6  0.19   8  0.23  molprobity  
 43   43  tt0       -68.2   -30.0  Favored     ?   6   9  0.19  12  0.29  molprobity  
 44   44  mtt-85   -115.6    -3.1  Favored     ?  13  11  0.17  14  0.63  molprobity  
 45   45  m          56.1    43.9  Favored     ?   5   6  0.21   8  0.32  molprobity  
 46   46  m        -130.6   139.2  Favored     ?   7   7  0.27  10  0.49  molprobity  
 47   47  t80      -100.8   125.2  Favored     ?   9  12  0.37  16  0.24  molprobity  
 48   48  mp       -108.8   116.5  Favored     ?  11   8  0.16  11  0.44  molprobity  
 49   49  ?         -62.5   123.7  Favored     ?   5   5  0.26   8  0.30  molprobity  
 50   50  Cg_endo   -79.2   -13.5  Favored     ?   7   8  0.16  11  0.33  molprobity  
 51   51  ptm180   -163.7   167.6  Favored     ?  13  11  0.16  14  0.33  molprobity  
 52   52  tttt      -71.9   133.9  Favored     ?  13   9  0.21  11  0.19  molprobity  
 53   53  ?         170.3   178.4  Favored     ?   3   4  0.23   5  0.32  molprobity  
 54   54  mm        -95.3   124.0  Favored     ?  11   8  0.18  11  0.45  molprobity  
 55   55  m-85     -113.3   141.4  Favored     ?   9  13  0.22  18  0.27  molprobity  
 56   56  t        -101.0   142.0  Favored     ?   5   6  0.16   8  0.25  molprobity  
 57   57  m-85     -137.5   139.0  Favored     ?   9  12  0.30  16  0.26  molprobity  
 58   58  m-80     -142.1   139.5  Favored     ?   6   8  0.23  11  0.25  molprobity  
 59   59  p90      -143.0   148.1  Favored     ?   9  12  0.31  16  0.31  molprobity  
 60   60  m80      -138.5   107.5  Favored     ?   7  11  0.14  15  0.32  molprobity  
 61   61  t        -101.6   107.8  Favored     ?   9   7  0.15  10  0.46  molprobity  
 62   62  t         -91.7   143.5  Favored     ?   9   7  0.12  10  0.42  molprobity  
 63   63  OUTLIER  -139.0   173.5  Favored     ?  13   9  0.24  11  0.42  molprobity  
 64   64  m        -119.0  -179.0  Allowed     ?   9   7  0.14  10  0.39  molprobity  
 65   65  t80       -66.0   128.8  Favored     ?   9  13  0.24  18  0.20  molprobity  
 66   66  p30      -159.0    31.8  Allowed     ?   6   8  0.25  11  0.33  molprobity  
 67   67  mtp85      56.9    25.3  Favored     ?  13  11  0.20  14  0.47  molprobity  
 68   68  mm-40    -145.7   132.9  Favored     ?   8   9  0.22  12  0.51  molprobity  
 69   69  p         -94.5   149.4  Favored     ?   7   7  0.21  10  0.62  molprobity  
 70   70  pt       -126.2   158.7  Favored     ?  11   8  0.14  11  0.74  molprobity  
 71   71  tt0      -133.8   119.2  Favored     ?   8   9  0.22  12  0.38  molprobity  
 72   72  t        -106.0   144.3  Favored     ?   9   7  0.13  10  0.38  molprobity  
 73   73  m        -139.8   139.1  Favored     ?   5   6  0.21   8  0.34  molprobity  
 74   74  tp        -80.8   112.3  Favored     ?  11   8  0.22  11  0.31  molprobity  
 75   75  mmt       -89.8   134.0  Favored     ?   9   8  0.20  10  0.36  molprobity  
 76   76  tp       -118.1   101.0  Favored     ?  11   8  0.23  11  0.38  molprobity  
 77   77  m-20       56.8    41.6  Favored     ?   6   8  0.25  11  0.21  molprobity  
 78   78  ?          92.4    -4.9  Favored     ?   3   4  0.19   5  0.34  molprobity  
 79   79  m-90     -113.9   136.8  Favored     ?  10  16  0.18  24  0.21  molprobity  
 80   80  Cg_endo   -76.1   131.6  Favored     ?   7   8  0.17  11  0.28  molprobity  
 81   81  t         -99.3   -52.4  Favored     ?   9   7  0.12  10  0.45  molprobity  
 82   82  pt       -131.3   162.1  Favored     ?  11   8  0.15  11  0.47  molprobity  
 83   83  m        -138.9   163.4  Favored     ?   5   6  0.19   8  0.35  molprobity  
 84   84  ?        -146.7   157.7  Favored     ?   5   5  0.11   7  0.31  molprobity  
 85   85  m-85     -135.1   154.3  Favored     ?   9  12  0.33  16  0.38  molprobity  
 86   86  ?        -147.4   137.7  Favored     ?   5   5  0.11   7  0.30  molprobity  
 87   87  ?         -76.1  -143.9  Allowed     ?   3   4  0.22   5  0.24  molprobity  
 88   88  t70      -163.3   119.5  Allowed     ?   4   8  0.17  11  0.32  molprobity  
 89   89  OUTLIER  -163.2   158.2  Favored     1   8   9  0.23  12  0.39  molprobity  
 90   90  p30       -93.8    19.6  Favored     ?   4   8  0.18  11  0.31  molprobity  
 91   91  t         -83.3   -52.0  Favored     ?   9   7  0.19  10  0.46  molprobity  
 92   92  t        -152.9   170.5  Favored     ?   7   7  0.25  10  0.66  molprobity  
 93   93  mtt-85    -74.5   146.8  Favored     ?  13  11  0.22  14  0.65  molprobity  
 94   94  pt-20    -135.7   157.8  Favored     ?   6   9  0.21  12  0.28  molprobity  
 95   95  ?        -128.6   137.7  Favored     ?   5   5  0.14   7  0.54  molprobity  
 96   96  ?         -93.2   109.2  Favored     ?   5   5  0.13   7  0.47  molprobity  
 97   97  m        -124.3   144.0  Favored     ?   5   6  0.16   8  0.48  molprobity  
 98   98  t-20     -168.9   167.1  Favored     ?   6   8  0.20  11  0.22  molprobity  
 99   99  ?        -154.9   162.1  Favored     ?   3   4  0.19   5  0.43  molprobity  
100  100  p        -167.1   152.2  Allowed     ?   9   7  0.24  10  0.53  molprobity  
101  101  mt       -102.2   132.7  Favored     ?  11   8  0.15  11  0.44  molprobity  
102  102  pt       -140.8   154.1  Favored     ?  11   8  0.15  11  0.56  molprobity  
103  103  tt0       -89.0   124.5  Favored     ?   8   9  0.23  12  0.33  molprobity  
104  104  mtp      -120.3   137.9  Favored     ?   9   8  0.22  10  0.41  molprobity  
105  105  mm-40     -89.4   164.6  Favored     ?   6   9  0.23  12  0.32  molprobity  
106  106  tttm      -61.1   115.8  Favored     ?  13   9  0.21  11  0.16  molprobity  
107  107  ?         110.7   -13.8  Favored     ?   3   4  0.19   5  0.12  molprobity  
108  108  m-20      -61.8   138.0  Favored     ?   4   8  0.15  11  0.27  molprobity  
109  109  mtt-85   -110.4   131.0  Favored     ?  13  11  0.19  14  0.63  molprobity  
110  110  ?        -123.3   131.0  Favored     ?   5   5  0.16   7  0.24  molprobity  
111  111  p90      -159.7   167.6  Favored     ?   9  13  0.24  18  0.22  molprobity  
112  112  mt       -103.5   131.8  Favored     ?  11   8  0.19  11  0.33  molprobity  
113  113  ttpt     -123.7   143.2  Favored     ?  13   9  0.27  11  0.27  molprobity  
114  114  tp        -89.5   101.0  Favored     ?  11   8  0.17  11  0.47  molprobity  
115  115  tt0       -78.6   -31.2  Favored     ?   6   9  0.23  12  0.31  molprobity  
116  116  mtp-105  -139.5   154.0  Favored     ?  13  11  0.22  14  0.59  molprobity  
117  117  ?          69.3  -177.8  Favored     ?   3   4  0.21   5  0.32  molprobity  
118  118  p30      -130.8   169.8  Favored     ?   6   8  0.22  11  0.29  molprobity  
119  119  mt       -113.2    37.9  Favored     ?  11   8  0.21  11  0.25  molprobity  
120  120  mmm       -65.0   130.0  Favored     ?   9   8  0.25  10  0.42  molprobity  
121  121  ?         105.1     2.6  Favored     ?   3   4  0.23   5  0.45  molprobity  
122  122  ?          81.8   165.4  Favored     ?   3   4  0.24   5  0.32  molprobity  
123  123  p90      -134.0    45.8  Favored     ?  10  16  0.14  23  0.32  molprobity  
124  124  tttt      -55.1   154.8  Favored     ?  13   9  0.20  11  0.46  molprobity  
125  125  m-85       70.3     4.3  Favored     ?   9  13  0.26  18  0.37  molprobity  
126  126  m         -70.8   148.2  Favored     ?   5   6  0.15   8  0.20  molprobity  
127  127  p        -133.7   151.7  Favored     ?   7   7  0.25  10  0.68  molprobity  
128  128  t80      -156.4   113.1  Favored     ?   9  12  0.28  16  0.25  molprobity  
129  129  p        -140.9   161.2  Favored     ?   5   6  0.17   8  0.19  molprobity  
130  130  ?        -166.4   164.4  Favored     ?   3   4  0.27   5  0.34  molprobity  
131  131  p90      -158.2   158.9  Favored     ?   9  12  0.29  16  0.26  molprobity  
132  132  tp        -80.2   116.9  Favored     ?  11   8  0.21  11  0.33  molprobity  
133  133  t         -73.8   -51.1  Favored     ?   9   7  0.14  10  0.42  molprobity  
134  134  p90      -166.6   149.5  Favored     ?   9  12  0.30  17  0.28  molprobity  
135  135  Cg_endo   -78.9   168.4  Favored     ?   7   8  0.15  11  0.27  molprobity  
136  136  mt       -130.4   138.1  Favored     ?  11   8  0.17  11  0.25  molprobity  
137  137  ?             ?       ?  ?           ?   3   3  0.20   2  0.32  molprobity  
138  138  ?             ?       ?  ?           ?  13  14  0.26  17  0.52  mogul       
#
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  41  O    1  0.47  2.48  
2  45  N    1  0.47  2.48  
3  63  NZ   2  0.54  2.40  
4  66  OD1  2  0.54  2.40  
5  89  NE2  3  0.42  2.52  
6  92  O    3  0.42  2.52  
#
loop_
_pdbx_vrpt_software.ordinal
_pdbx_vrpt_software.name
_pdbx_vrpt_software.version
_pdbx_vrpt_software.success_y_or_n
1  molprobity   4.02b-467                                                             Y  
2  mogul        "1.8.4, CSD as541be (2020)"                                           Y  
3  eds          2.36                                                                  Y  
4  dcc          '"2.27  (2023-04-10)"'                                                Y  
5  xtriage      1.13                                                                  Y  
6  percentiles  "20191225.v01 (using entries in the PDB archive December 25th 2019)"  Y  
##
