data_2VJZ

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   2VJZ       
PDBE  EBI-34771  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    2VJZ
_pdbx_vrpt_summary.PDB_deposition_date         2007-12-14
_pdbx_vrpt_summary.PDB_revision_number         4
_pdbx_vrpt_summary.PDB_revision_date           2023-12-13
_pdbx_vrpt_summary.report_creation_date        2023-12-08:03:23
_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      "INSULIN A CHAIN"  
2  polymer      "INSULIN B CHAIN"  
3  non-polymer  "ZINC ION"  
4  non-polymer  "CHLORIDE ION"  
5  water        water  
#
loop_
_pdbx_vrpt_asym.label_asym_id
_pdbx_vrpt_asym.entity_id
A  1  
B  2  
C  1  
D  2  
E  3  
F  4  
G  4  
H  3  
I  4  
J  4  
K  5  
L  5  
M  5  
N  5  
#
loop_
_pdbx_vrpt_percentile_list.id
_pdbx_vrpt_percentile_list.range
_pdbx_vrpt_percentile_list.exp_method
1  all  x-ray  
2  1.8  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   50.53  141614     ?     ?  
2  2  1   41.66    6793  1.80  1.80  
3  1  2  100.00  138981     ?     ?  
4  2  2  100.00    6697  1.80  1.80  
5  1  3   73.39  138945     ?     ?  
6  2  3   68.03    6696  1.80  1.80  
7  1  4   57.97  130704     ?     ?  
8  2  4   39.07    5950  1.80  1.80  
#
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  3  2  B  1  2  B  100.00  
 6  4  2  B  1  2  B  100.00  
 7  5  3  B  1  2  B  100.00  
 8  6  3  B  1  2  B  100.00  
 9  3  2  C  1  1  C  100.00  
10  4  2  C  1  1  C  100.00  
11  5  3  C  1  1  C   24.16  
12  6  3  C  1  1  C   10.29  
13  3  2  D  1  2  D  100.00  
14  4  2  D  1  2  D  100.00  
15  5  3  D  1  2  D  100.00  
16  6  3  D  1  2  D  100.00  
#
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  0.60  0.74  181  243  
2  1  2  B  B  0.71  0.91  248  335  
3  1  1  C  C  0.83  0.67  164  220  
4  1  2  D  D  0.68  0.77  232  314  
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  0.00
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       1.12
_pdbx_vrpt_summary_geometry.clashscore                     5.72
_pdbx_vrpt_summary_geometry.num_H_reduce                   762
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 825
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.79
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                1112
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.70
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 56.409
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            29.867
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         27.671
_pdbx_vrpt_summary_diffraction.I_over_sigma              1.55(1.80A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        7129
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.491
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.355
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.457
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.285
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.935
_pdbx_vrpt_summary_diffraction.twin_fraction             h,-h-k,-l:0.062
_pdbx_vrpt_summary_diffraction.DCC_R                     0.18
_pdbx_vrpt_summary_diffraction.DCC_Rfree                 0.23
_pdbx_vrpt_summary_diffraction.EDS_R                     0.27
_pdbx_vrpt_summary_diffraction.EDS_res_high              1.80
_pdbx_vrpt_summary_diffraction.EDS_res_low               32.42
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[27.645,27.645,27.746,-0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.004
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The analyses of the Patterson function reveals a significant off-origin peak that is 19.95 % of the origin peak, indicating pseudo-translational symmetry.  The chance of finding a peak of this or larger height by random in a structure without pseudo-translational symmetry is equal to 9.6678e-03."
_pdbx_vrpt_summary_diffraction.B_factor_type             PARTIAL
_pdbx_vrpt_summary_diffraction.acentric_outliers         0
_pdbx_vrpt_summary_diffraction.centric_outliers          0
_pdbx_vrpt_summary_diffraction.data_completeness         88.24
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      357
_pdbx_vrpt_summary_diffraction.percent_free_reflections  5.01
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       1.80
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        32.43
_pdbx_vrpt_summary_diffraction.PDB_R                     0.17
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.24
#
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_angle_outliers
_pdbx_vrpt_model_instance.count_clashes
  1  1  1  A   1  GLY  A     1  .  ?        ?     ?  
  2  1  1  A   2  ILE  A     2  .  ?        ?     ?  
  3  1  1  A   3  VAL  A     3  .  ?        ?     ?  
  4  1  1  A   4  GLU  A     4  .  ?        ?     ?  
  5  1  1  A   5  GLN  A     5  A  ?        ?     ?  
  6  1  1  A   5  GLN  A     5  B  ?        ?     1  
  7  1  1  A   6  CYS  A     6  .  ?        ?     ?  
  8  1  1  A   7  CYS  A     7  .  ?        ?     ?  
  9  1  1  A   8  THR  A     8  .  ?        ?     ?  
 10  1  1  A   9  SER  A     9  .  ?        ?     ?  
 11  1  1  A  10  ILE  A    10  .  ?        ?     ?  
 12  1  1  A  11  CYS  A    11  .  ?        ?     ?  
 13  1  1  A  12  SER  A    12  .  ?        ?     ?  
 14  1  1  A  13  LEU  A    13  .  ?        ?     ?  
 15  1  1  A  14  TYR  A    14  .  ?        ?     ?  
 16  1  1  A  15  GLN  A    15  .  ?        ?     ?  
 17  1  1  A  16  LEU  A    16  A  ?        ?     ?  
 18  1  1  A  16  LEU  A    16  B  ?        ?     ?  
 19  1  1  A  17  GLU  A    17  .  ?        ?     ?  
 20  1  1  A  18  ASN  A    18  .  ?        ?     ?  
 21  1  1  A  19  TYR  A    19  .  ?        ?     1  
 22  1  1  A  20  CYS  A    20  .  ?        ?     ?  
 23  1  1  A  21  ASN  A    21  .  ?        ?     ?  
 24  1  2  B   1  PHE  B     1  .  ?        ?     ?  
 25  1  2  B   2  VAL  B     2  .  ?        ?     ?  
 26  1  2  B   3  ASN  B     3  .  ?        ?     ?  
 27  1  2  B   4  GLN  B     4  .  ?        ?     ?  
 28  1  2  B   5  HIS  B     5  .  ?        ?     ?  
 29  1  2  B   6  LEU  B     6  .  ?        ?     ?  
 30  1  2  B   7  CYS  B     7  .  ?        ?     ?  
 31  1  2  B   8  GLY  B     8  .  ?        ?     ?  
 32  1  2  B   9  SER  B     9  .  ?        ?     ?  
 33  1  2  B  10  HIS  B    10  .  ?        ?     ?  
 34  1  2  B  11  LEU  B    11  .  ?        ?     ?  
 35  1  2  B  12  VAL  B    12  A  ?        ?     ?  
 36  1  2  B  12  VAL  B    12  B  ?        ?     ?  
 37  1  2  B  13  GLU  B    13  .  ?        ?     ?  
 38  1  2  B  14  ALA  B    14  .  ?        ?     1  
 39  1  2  B  15  LEU  B    15  .  ?        ?     ?  
 40  1  2  B  16  TYR  B    16  .  ?        ?     ?  
 41  1  2  B  17  LEU  B    17  .  ?        ?     ?  
 42  1  2  B  18  VAL  B    18  .  ?        ?     1  
 43  1  2  B  19  CYS  B    19  .  ?        ?     ?  
 44  1  2  B  20  GLY  B    20  .  ?        ?     ?  
 45  1  2  B  21  GLU  B    21  .  ?        ?     ?  
 46  1  2  B  22  ARG  B    22  .  ?        ?     ?  
 47  1  2  B  23  GLY  B    23  .  ?        ?     ?  
 48  1  2  B  24  PHE  B    24  .  ?        ?     ?  
 49  1  2  B  25  PHE  B    25  .  ?        ?     ?  
 50  1  2  B  26  TYR  B    26  .  ?        ?     ?  
 51  1  2  B  27  THR  B    27  .  ?        ?     1  
 52  1  2  B  28  PRO  B    28  .  ?        ?     ?  
 53  1  2  B  29  LYS  B    29  .  ?        ?     ?  
 54  1  1  C   1  GLY  C     1  .  ?        ?     ?  
 55  1  1  C   2  ILE  C     2  .  ?        ?     ?  
 56  1  1  C   3  VAL  C     3  .  ?        ?     ?  
 57  1  1  C   4  GLU  C     4  .  ?        ?     2  
 58  1  1  C   5  GLN  C     5  .  ?        ?     2  
 59  1  1  C   6  CYS  C     6  .  ?        ?     ?  
 60  1  1  C   7  CYS  C     7  .  ?        ?     ?  
 61  1  1  C   8  THR  C     8  .  ?        ?     ?  
 62  1  1  C   9  SER  C     9  .  ?        ?     ?  
 63  1  1  C  10  ILE  C    10  .  ?        ?     ?  
 64  1  1  C  11  CYS  C    11  .  ?        ?     ?  
 65  1  1  C  12  SER  C    12  .  ?        ?     ?  
 66  1  1  C  13  LEU  C    13  .  ?        1     1  
 67  1  1  C  14  TYR  C    14  .  ?        ?     ?  
 68  1  1  C  15  GLN  C    15  .  ?        ?     2  
 69  1  1  C  16  LEU  C    16  .  ?        ?     ?  
 70  1  1  C  17  GLU  C    17  .  ?        ?     ?  
 71  1  1  C  18  ASN  C    18  .  ?        ?     ?  
 72  1  1  C  19  TYR  C    19  .  ?        ?     ?  
 73  1  1  C  20  CYS  C    20  .  ?        ?     ?  
 74  1  1  C  21  ASN  C    21  .  ?        ?     ?  
 75  1  2  D   1  PHE  D     1  .  ?        ?     ?  
 76  1  2  D   2  VAL  D     2  .  ?        ?     ?  
 77  1  2  D   3  ASN  D     3  .  ?        ?     1  
 78  1  2  D   4  GLN  D     4  .  ?        ?     ?  
 79  1  2  D   5  HIS  D     5  .  ?        ?     ?  
 80  1  2  D   6  LEU  D     6  .  ?        ?     ?  
 81  1  2  D   7  CYS  D     7  .  ?        ?     ?  
 82  1  2  D   8  GLY  D     8  .  ?        ?     ?  
 83  1  2  D   9  SER  D     9  .  ?        ?     ?  
 84  1  2  D  10  HIS  D    10  .  ?        ?     ?  
 85  1  2  D  11  LEU  D    11  .  ?        ?     ?  
 86  1  2  D  12  VAL  D    12  .  ?        ?     ?  
 87  1  2  D  13  GLU  D    13  .  ?        ?     ?  
 88  1  2  D  14  ALA  D    14  .  ?        ?     ?  
 89  1  2  D  15  LEU  D    15  .  ?        ?     ?  
 90  1  2  D  16  TYR  D    16  .  ?        ?     ?  
 91  1  2  D  17  LEU  D    17  .  ?        ?     ?  
 92  1  2  D  18  VAL  D    18  .  ?        ?     1  
 93  1  2  D  19  CYS  D    19  .  ?        ?     ?  
 94  1  2  D  20  GLY  D    20  .  ?        ?     ?  
 95  1  2  D  21  GLU  D    21  .  ?        ?     ?  
 96  1  2  D  22  ARG  D    22  .  ?        ?     ?  
 97  1  2  D  23  GLY  D    23  .  ?        ?     ?  
 98  1  2  D  24  PHE  D    24  .  ?        ?     ?  
 99  1  2  D  25  PHE  D    25  .  ?        ?     ?  
100  1  2  D  26  TYR  D    26  .  ?        ?     ?  
101  1  2  D  27  THR  D    27  .  ?        ?     ?  
102  1  2  D  28  PRO  D    28  .  ?        ?     ?  
103  1  3  E   .  ZN   B  1030  .  ?        ?     ?  
104  1  4  F   .  CL   B  1031  .  ?        ?     ?  
105  1  4  G   .  CL   B  1034  .  ?        ?     1  
106  1  3  H   .  ZN   D  1029  .  ?        ?     ?  
107  1  4  I   .  CL   D  1030  .  ?        ?     ?  
108  1  4  J   .  CL   D  1031  .  ?        ?     ?  
109  1  5  K   .  HOH  A  2001  .  ?        ?     ?  
110  1  5  K   .  HOH  A  2002  .  ?        ?     ?  
111  1  5  K   .  HOH  A  2003  .  ?        ?     ?  
112  1  5  K   .  HOH  A  2004  .  ?        ?     ?  
113  1  5  K   .  HOH  A  2005  .  ?        ?     ?  
114  1  5  K   .  HOH  A  2006  .  ?        ?     ?  
115  1  5  K   .  HOH  A  2007  .  ?        ?     ?  
116  1  5  K   .  HOH  A  2008  .  ?        ?     ?  
117  1  5  K   .  HOH  A  2009  .  ?        ?     ?  
118  1  5  K   .  HOH  A  2010  .  ?        ?     ?  
119  1  5  K   .  HOH  A  2011  .  ?        ?     ?  
120  1  5  K   .  HOH  A  2012  .  ?        ?     ?  
121  1  5  K   .  HOH  A  2013  .  ?        ?     ?  
122  1  5  K   .  HOH  A  2014  .  ?        ?     ?  
123  1  5  K   .  HOH  A  2015  .  ?        ?     ?  
124  1  5  K   .  HOH  A  2016  .  ?        ?     ?  
125  1  5  K   .  HOH  A  2017  .  ?        ?     ?  
126  1  5  K   .  HOH  A  2018  .  ?        ?     ?  
127  1  5  K   .  HOH  A  2019  .  ?        ?     ?  
128  1  5  K   .  HOH  A  2020  .  ?        ?     ?  
129  1  5  K   .  HOH  A  2021  .  ?        ?     ?  
130  1  5  K   .  HOH  A  2022  .  ?        ?     ?  
131  1  5  K   .  HOH  A  2023  .  ?        ?     ?  
132  1  5  K   .  HOH  A  2024  .  ?        ?     ?  
133  1  5  L   .  HOH  B  2001  .  ?        ?     ?  
134  1  5  L   .  HOH  B  2002  .  ?        ?     ?  
135  1  5  L   .  HOH  B  2003  .  ?        ?     ?  
136  1  5  L   .  HOH  B  2004  .  ?        ?     ?  
137  1  5  L   .  HOH  B  2005  .  ?        ?     ?  
138  1  5  L   .  HOH  B  2006  .  ?        ?     ?  
139  1  5  L   .  HOH  B  2007  .  ?        ?     ?  
140  1  5  L   .  HOH  B  2008  .  ?        ?     ?  
141  1  5  L   .  HOH  B  2009  .  ?        ?     ?  
142  1  5  L   .  HOH  B  2010  .  ?        ?     ?  
143  1  5  L   .  HOH  B  2011  .  ?        ?     ?  
144  1  5  L   .  HOH  B  2012  .  ?        ?     ?  
145  1  5  L   .  HOH  B  2013  .  ?        ?     ?  
146  1  5  L   .  HOH  B  2014  .  ?        ?     ?  
147  1  5  L   .  HOH  B  2015  .  ?        ?     ?  
148  1  5  L   .  HOH  B  2016  .  ?        ?     ?  
149  1  5  L   .  HOH  B  2017  .  ?        ?     1  
150  1  5  L   .  HOH  B  2018  .  ?        ?     ?  
151  1  5  L   .  HOH  B  2019  .  ?        ?     ?  
152  1  5  L   .  HOH  B  2020  .  ?        ?     ?  
153  1  5  L   .  HOH  B  2021  .  ?        ?     ?  
154  1  5  L   .  HOH  B  2022  .  ?        ?     ?  
155  1  5  L   .  HOH  B  2023  .  ?        ?     ?  
156  1  5  L   .  HOH  B  2024  .  ?        ?     ?  
157  1  5  L   .  HOH  B  2025  .  ?        ?     ?  
158  1  5  L   .  HOH  B  2026  .  ?        ?     ?  
159  1  5  L   .  HOH  B  2027  .  ?        ?     ?  
160  1  5  L   .  HOH  B  2028  .  ?        ?     ?  
161  1  5  L   .  HOH  B  2029  .  ?        ?     ?  
162  1  5  L   .  HOH  B  2030  .  ?        ?     ?  
163  1  5  L   .  HOH  B  2031  .  ?        ?     ?  
164  1  5  L   .  HOH  B  2032  .  ?        ?     ?  
165  1  5  L   .  HOH  B  2033  .  ?        ?     ?  
166  1  5  M   .  HOH  C  2001  .  ?        ?     ?  
167  1  5  M   .  HOH  C  2002  .  ?        ?     ?  
168  1  5  M   .  HOH  C  2003  .  ?        ?     ?  
169  1  5  M   .  HOH  C  2004  .  ?        ?     ?  
170  1  5  M   .  HOH  C  2005  .  ?        ?     ?  
171  1  5  M   .  HOH  C  2006  .  ?        ?     ?  
172  1  5  M   .  HOH  C  2007  .  ?        ?     ?  
173  1  5  M   .  HOH  C  2008  .  ?        ?     ?  
174  1  5  M   .  HOH  C  2009  .  ?        ?     ?  
175  1  5  M   .  HOH  C  2010  .  ?        ?     ?  
176  1  5  M   .  HOH  C  2011  .  ?        ?     ?  
177  1  5  M   .  HOH  C  2012  .  ?        ?     ?  
178  1  5  M   .  HOH  C  2013  .  ?        ?     ?  
179  1  5  M   .  HOH  C  2014  .  ?        ?     ?  
180  1  5  M   .  HOH  C  2015  .  ?        ?     ?  
181  1  5  M   .  HOH  C  2016  .  ?        ?     ?  
182  1  5  M   .  HOH  C  2017  .  ?        ?     1  
183  1  5  N   .  HOH  D  2001  .  ?        ?     ?  
184  1  5  N   .  HOH  D  2002  .  ?        ?     ?  
185  1  5  N   .  HOH  D  2003  .  ?        ?     1  
186  1  5  N   .  HOH  D  2004  .  ?        ?     ?  
187  1  5  N   .  HOH  D  2005  .  ?        ?     ?  
188  1  5  N   .  HOH  D  2006  .  ?        ?     ?  
189  1  5  N   .  HOH  D  2007  .  ?        ?     ?  
190  1  5  N   .  HOH  D  2008  .  ?        ?     ?  
191  1  5  N   .  HOH  D  2009  .  ?        ?     ?  
192  1  5  N   .  HOH  D  2010  .  ?        ?     ?  
193  1  5  N   .  HOH  D  2011  .  ?        ?     ?  
194  1  5  N   .  HOH  D  2012  .  ?        ?     ?  
195  1  5  N   .  HOH  D  2013  .  ?        ?     ?  
196  1  5  N   .  HOH  D  2014  .  ?        ?     ?  
197  1  5  N   .  HOH  D  2015  .  ?        ?     ?  
198  1  5  N   .  HOH  D  2016  .  ?        ?     ?  
199  1  5  N   .  HOH  D  2017  .  ?        ?     ?  
200  1  5  N   .  HOH  D  2018  .  ?        ?     ?  
201  1  5  N   .  HOH  D  2019  .  ?        ?     ?  
202  1  5  N   .  HOH  D  2020  .  ?        ?     ?  
203  1  5  N   .  HOH  D  2021  .  ?        ?     ?  
204  1  5  N   .  HOH  D  2022  .  ?        ?     ?  
205  1  5  N   .  HOH  D  2023  .  ?        ?     ?  
#
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  ?             ?       ?  ?           ?   5   4  1.19   5  0.61  molprobity  
  2    2  tt        -67.1   -34.5  Favored     ?  11   8  0.43  11  0.46  molprobity  
  3    3  t         -66.7   -44.6  Favored     ?   9   7  1.19  10  0.52  molprobity  
  4    4  mt-10     -62.8   -42.7  Favored     ?   6   9  1.11  12  0.34  molprobity  
  5    5  mm100     -76.1   -44.3  Favored     1   8   9  0.36  12  0.65  molprobity  
  6    6  mm100     -76.1   -44.3  Favored     1   8   9  0.36  12  0.65  molprobity  
  7    7  m        -111.3   -16.5  Favored     ?   3   6  0.73   8  1.05  molprobity  
  8    8  t        -104.5   -59.3  Allowed     ?   4   6  1.23   8  0.39  molprobity  
  9    9  m         -60.9   -46.2  Favored     ?   7   7  0.26  10  0.59  molprobity  
 10   10  t        -106.5  -173.7  Favored     ?   5   6  0.24   8  0.50  molprobity  
 11   11  mt       -109.3   130.7  Favored     ?  11   8  0.47  11  0.44  molprobity  
 12   12  m         -92.8   142.3  Favored     ?   4   6  1.27   8  0.90  molprobity  
 13   13  p         -74.7   168.4  Favored     ?   5   6  0.33   8  0.44  molprobity  
 14   14  tp        -58.5   -45.7  Favored     ?  11   8  0.53  11  0.68  molprobity  
 15   15  t80       -57.0   -44.8  Favored     ?   9  13  0.74  18  0.44  molprobity  
 16   16  mt-30     -63.1   -41.9  Favored     ?   8   9  0.56  12  0.44  molprobity  
 17   17  tp        -60.6   -38.1  Favored     ?  11   8  0.54  11  0.63  molprobity  
 18   18  tp        -60.6   -38.1  Favored     ?  11   8  0.54  11  0.63  molprobity  
 19   19  mt-10     -67.1   -14.9  Favored     ?   6   9  0.79  12  0.59  molprobity  
 20   20  m120      -62.6   -14.2  Favored     1   6   8  0.73  11  0.83  molprobity  
 21   21  m-85     -106.2     6.7  Favored     ?   9  13  0.83  18  0.57  molprobity  
 22   22  m         -77.8   156.5  Favored     ?   4   6  1.03   8  0.50  molprobity  
 23   23  m-20          ?       ?  ?           ?   6   8  0.24   8  0.57  molprobity  
 24   24  t80           ?       ?  ?           ?  11  12  1.04  16  0.37  molprobity  
 25   25  p         -57.4   147.4  Favored     ?   9   7  1.02  10  0.71  molprobity  
 26   26  t-20     -115.3    88.4  Favored     1   6   8  0.64  11  0.47  molprobity  
 27   27  pt20     -162.6   162.8  Favored     ?   8   9  0.45  12  0.57  molprobity  
 28   28  m-70      -64.1   130.2  Favored     ?   7  11  0.57  15  0.58  molprobity  
 29   29  mt       -120.9   123.8  Favored     ?  11   8  0.65  11  0.99  molprobity  
 30   30  m        -139.2   153.1  Favored     ?   4   6  1.25   8  1.08  molprobity  
 31   31  ?          61.6  -135.0  Favored     ?   3   4  0.67   5  0.76  molprobity  
 32   32  p         -58.8   -29.8  Favored     ?   5   6  1.12   8  0.76  molprobity  
 33   33  m-70      -69.2   -35.9  Favored     ?   7  11  0.64  15  0.49  molprobity  
 34   34  tp        -66.1   -45.6  Favored     ?  11   8  0.51  11  0.71  molprobity  
 35   35  m         -63.9   -39.4  Favored     ?   9   7  0.68  10  0.83  molprobity  
 36   36  m         -63.9   -39.4  Favored     ?   9   7  0.68  10  0.83  molprobity  
 37   37  tp10      -65.2   -40.6  Favored     ?   6   9  2.55  12  0.79  molprobity  
 38   38  ?         -55.4   -51.1  Favored     ?   5   5  0.74   7  0.64  molprobity  
 39   39  mt        -55.1   -46.2  Favored     ?  11   8  0.91  11  0.44  molprobity  
 40   40  t80       -56.7   -45.6  Favored     ?   9  13  0.82  18  0.56  molprobity  
 41   41  tp        -67.6   -52.5  Favored     ?  11   8  0.83  11  0.79  molprobity  
 42   42  m         -67.6   -36.8  Favored     ?   9   7  0.79  10  0.70  molprobity  
 43   43  m         -85.5   -22.9  Favored     ?   4   6  0.52   8  0.48  molprobity  
 44   44  ?          47.1  -129.1  Favored     ?   3   4  0.60   5  0.43  molprobity  
 45   45  mt-10     -60.4   -25.6  Favored     ?   6   9  0.83  12  0.89  molprobity  
 46   46  mtm180    -64.5   -35.2  Favored     ?  13  11  0.34  14  1.05  molprobity  
 47   47  ?          75.2  -173.6  Favored     ?   3   4  0.68   5  0.75  molprobity  
 48   48  p90      -155.2   170.3  Favored     ?   9  12  0.96  16  0.46  molprobity  
 49   49  p90      -126.6   130.9  Favored     ?   9  12  0.79  16  0.64  molprobity  
 50   50  t80      -115.6    99.6  Favored     ?   9  13  1.10  18  0.97  molprobity  
 51   51  p        -130.3    79.6  Favored     ?   7   7  0.64  11  0.75  molprobity  
 52   52  Cg_endo   -65.2   151.3  Favored     ?   7   8  0.30  11  0.37  molprobity  
 53   53  ttmp?         ?       ?  ?           ?  13   8  0.78   8  0.59  molprobity  
 54   54  ?             ?       ?  ?           ?   5   4  1.37   5  0.44  molprobity  
 55   55  tt        -54.2   -39.4  Favored     ?  11   8  0.57  11  0.46  molprobity  
 56   56  t         -66.0   -44.2  Favored     ?   9   7  0.39  10  0.43  molprobity  
 57   57  mp0       -62.2   -40.8  Favored     ?   6   9  0.15  12  0.34  molprobity  
 58   58  tt0       -79.2   -38.5  Favored     1   8   9  0.62  12  0.59  molprobity  
 59   59  m        -117.1     9.8  Favored     ?   4   6  0.51   8  1.08  molprobity  
 60   60  m         -98.7   -38.0  Favored     ?   4   6  0.27   8  0.86  molprobity  
 61   61  p         -97.1   -13.7  Favored     ?   7   7  0.44  10  0.77  molprobity  
 62   62  p        -130.2   160.1  Favored     ?   5   6  0.56   8  0.66  molprobity  
 63   63  mt        -86.4   122.5  Favored     ?  11   8  0.66  11  0.69  molprobity  
 64   64  m         -89.1   123.7  Favored     ?   4   6  0.91   8  0.89  molprobity  
 65   65  p         -68.1   167.7  Favored     ?   5   6  0.46   8  0.87  molprobity  
 66   66  OUTLIER   -44.5   -41.7  Favored     ?  11   8  0.42  11  2.22  molprobity  
 67   67  m-85      -66.0   -38.4  Favored     ?   9  13  0.53  18  0.68  molprobity  
 68   68  mt-30     -77.1   -35.3  Favored     ?   8   9  0.70  12  0.51  molprobity  
 69   69  mt        -66.5   -30.5  Favored     ?  11   8  0.83  11  0.53  molprobity  
 70   70  mt-10     -58.0   -29.9  Favored     ?   6   9  0.78  12  0.68  molprobity  
 71   71  t30       -52.5   -30.7  Favored     ?   6   8  0.54  11  0.53  molprobity  
 72   72  m-85      -90.7     0.1  Favored     ?   9  13  0.73  18  0.89  molprobity  
 73   73  m         -77.1   155.8  Favored     ?   4   6  1.46   8  0.59  molprobity  
 74   74  m-20          ?       ?  ?           ?   6   8  0.43   8  0.56  molprobity  
 75   75  m-85          ?       ?  ?           ?  11  12  1.08  16  0.57  molprobity  
 76   76  m        -116.6   143.7  Favored     ?   9   7  0.83  10  0.52  molprobity  
 77   77  t-20      -52.5   116.7  Favored     ?   6   8  0.77  11  0.49  molprobity  
 78   78  tt0       -65.5   -37.6  Favored     ?   8   9  0.54  12  0.75  molprobity  
 79   79  t60       -63.4   -38.4  Favored     ?   7  11  0.50  15  0.36  molprobity  
 80   80  mt        -72.6   -38.7  Favored     ?  11   8  0.54  11  1.06  molprobity  
 81   81  t         -61.4   -48.6  Favored     ?   4   6  0.61   8  1.39  molprobity  
 82   82  ?         -54.4   -44.7  Favored     ?   3   4  0.09   5  0.31  molprobity  
 83   83  t         -54.6   -43.9  Favored     ?   5   6  0.73   8  0.85  molprobity  
 84   84  t60       -68.0   -45.0  Favored     ?   7  11  0.66  15  0.48  molprobity  
 85   85  mt        -64.1   -39.1  Favored     ?  11   8  0.72  11  0.51  molprobity  
 86   86  m         -66.8   -35.8  Favored     ?   9   7  0.89  10  0.81  molprobity  
 87   87  mt-10     -66.3   -41.6  Favored     ?   6   9  1.54  12  0.86  molprobity  
 88   88  ?         -63.0   -45.3  Favored     ?   5   5  1.13   7  0.38  molprobity  
 89   89  mt        -59.1   -40.9  Favored     ?  11   8  0.88  11  0.66  molprobity  
 90   90  t80       -54.2   -51.1  Favored     ?   9  13  0.95  18  0.64  molprobity  
 91   91  mt        -62.5   -49.9  Favored     ?  11   8  0.41  11  0.53  molprobity  
 92   92  t         -67.0   -46.0  Favored     ?   9   7  0.70  10  0.58  molprobity  
 93   93  m         -76.6   -30.2  Favored     ?   4   6  0.31   8  0.68  molprobity  
 94   94  ?          47.4  -129.6  Favored     ?   3   4  0.41   5  0.49  molprobity  
 95   95  pt-20     -71.9   -13.3  Favored     ?   6   9  0.43  12  0.72  molprobity  
 96   96  mtp180    -58.6   -35.8  Favored     ?  13  11  0.69  14  0.68  molprobity  
 97   97  ?          73.1  -174.5  Favored     ?   3   4  0.65   5  0.51  molprobity  
 98   98  p90      -166.3   158.0  Favored     ?   9  12  0.96  16  0.68  molprobity  
 99   99  m-85     -102.5   140.4  Favored     ?   9  12  0.67  16  0.74  molprobity  
100  100  t80      -138.9   135.9  Favored     ?   9  13  0.69  18  0.45  molprobity  
101  101  m        -139.7   131.1  Favored     ?   7   7  0.60  11  0.76  molprobity  
102  102  Cg_exo        ?       ?  ?           ?   7   7  0.35   8  0.66  molprobity  
#
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    6  NE2   1  0.49  2.42  
 2   21  OH    1  0.49  2.42  
 3   38  O     2  0.78  1.84  
 4   42  HG22  2  0.78  1.84  
 5   51  HG22  3  0.85  1.76  
 6   57  H     4  0.43  2.21  
 7   57  CD    4  0.43  2.21  
 8   58  HE21  5  0.48  1.61  
 9   58  NE2   6  0.41  2.17  
10   66  HD22  7  0.42  2.01  
11   68  HE21  5  0.48  1.61  
12   68  HE21  6  0.41  2.17  
13   77  ND2   8  0.42  2.47  
14   92  HG22  7  0.42  2.01  
15  105  CL    9  0.79  2.37  
16  149  O     9  0.79  2.37  
17  182  O     3  0.85  1.76  
18  185  O     8  0.42  2.47  
#
_pdbx_vrpt_instance_intra_angle_outliers.ordinal      1
_pdbx_vrpt_instance_intra_angle_outliers.instance_id  66
_pdbx_vrpt_instance_intra_angle_outliers.atom_1       CA
_pdbx_vrpt_instance_intra_angle_outliers.atom_2       CB
_pdbx_vrpt_instance_intra_angle_outliers.atom_3       CG
_pdbx_vrpt_instance_intra_angle_outliers.obs          128.683
_pdbx_vrpt_instance_intra_angle_outliers.mean         115.300
_pdbx_vrpt_instance_intra_angle_outliers.stdev        2.300
_pdbx_vrpt_instance_intra_angle_outliers.Z            5.82
#
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        unknown                                                               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  
##
