data_1UUE

loop_
_pdbx_vrpt_database.id
_pdbx_vrpt_database.code
PDB   1UUE       
PDBE  EBI-14243  
#
_pdbx_vrpt_exptl.ordinal  1
_pdbx_vrpt_exptl.method   x-ray
#
_pdbx_vrpt_summary.entry_id                    1UUE
_pdbx_vrpt_summary.PDB_deposition_date         2003-12-18
_pdbx_vrpt_summary.PDB_revision_number         8
_pdbx_vrpt_summary.PDB_revision_date           2023-12-13
_pdbx_vrpt_summary.report_creation_date        2023-12-04:21:31
_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  "SPECTRIN ALPHA CHAIN"  
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  2.6  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         
#
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  17.26  141614     ?     ?  
2  2  1  33.83    3518  2.60  2.60  
3  1  2   8.16  138981     ?     ?  
4  2  2  16.44    3455  2.60  2.60  
5  1  3   3.39  138945     ?     ?  
6  2  3   5.93    3455  2.60  2.60  
7  1  4  43.62  127900     ?     ?  
8  2  4  36.44    3104  2.60  2.60  
#
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   8.16  
2  4  2  A  1  1  A  16.44  
3  5  3  A  1  1  A   3.39  
4  6  3  A  1  1  A   5.93  
5  7  4  A  1  1  A  43.62  
6  8  4  A  1  1  A  36.44  
#
_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      0.60
_pdbx_vrpt_summary_entity_geometry.bonds_RMSZ       0.36
_pdbx_vrpt_summary_entity_geometry.num_bonds_RMSZ   477
_pdbx_vrpt_summary_entity_geometry.num_angles_RMSZ  642
#
_pdbx_vrpt_summary_geometry.ordinal                        1
_pdbx_vrpt_summary_geometry.percent_ramachandran_outliers  1.82
_pdbx_vrpt_summary_geometry.percent_rotamer_outliers       13.73
_pdbx_vrpt_summary_geometry.clashscore                     13.76
_pdbx_vrpt_summary_geometry.num_H_reduce                   477
_pdbx_vrpt_summary_geometry.num_bonds_RMSZ                 477
_pdbx_vrpt_summary_geometry.bonds_RMSZ                     0.36
_pdbx_vrpt_summary_geometry.num_angles_RMSZ                642
_pdbx_vrpt_summary_geometry.angles_RMSZ                    0.60
#
_pdbx_vrpt_summary_diffraction.exp_method                x-ray
_pdbx_vrpt_summary_diffraction.ordinal                   1
_pdbx_vrpt_summary_diffraction.Babinet_b                 129.372
_pdbx_vrpt_summary_diffraction.bulk_solvent_b            36.933
_pdbx_vrpt_summary_diffraction.Wilson_B_estimate         24.800
_pdbx_vrpt_summary_diffraction.I_over_sigma              12.51(2.59A)
_pdbx_vrpt_summary_diffraction.num_miller_indices        2184
_pdbx_vrpt_summary_diffraction.Babinet_k                 0.237
_pdbx_vrpt_summary_diffraction.bulk_solvent_k            0.285
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L_mean     0.469
_pdbx_vrpt_summary_diffraction.Padilla_Yeates_L2_mean    0.308
_pdbx_vrpt_summary_diffraction.Fo_Fc_correlation         0.892
_pdbx_vrpt_summary_diffraction.DCC_R                     0.25
_pdbx_vrpt_summary_diffraction.EDS_R                     0.24
_pdbx_vrpt_summary_diffraction.EDS_res_high              2.60
_pdbx_vrpt_summary_diffraction.EDS_res_low               11.70
_pdbx_vrpt_summary_diffraction.Wilson_B_aniso            "[28.891,21.665,23.863,0.000,0.000,0.000]"
_pdbx_vrpt_summary_diffraction.data_anisotropy           0.291
_pdbx_vrpt_summary_diffraction.trans_NCS_details         "The largest off-origin peak in the Patterson function is 9.34% 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         95.04
_pdbx_vrpt_summary_diffraction.number_reflns_R_free      0
_pdbx_vrpt_summary_diffraction.percent_free_reflections  0.00
_pdbx_vrpt_summary_diffraction.percent_RSRZ_outliers     3.51
_pdbx_vrpt_summary_diffraction.PDB_resolution_high       2.60
_pdbx_vrpt_summary_diffraction.PDB_resolution_low        20.00
_pdbx_vrpt_summary_diffraction.PDB_R                     0.24
_pdbx_vrpt_summary_diffraction.PDB_Rfree                 0.27
#
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   6  LYS  A     6  .  ?        1  
 2  1  1  A   7  GLU  A     7  .  ?        1  
 3  1  1  A   8  LEU  A     8  .  ?        ?  
 4  1  1  A   9  VAL  A     9  .  ?        1  
 5  1  1  A  10  LEU  A    10  .  ?        1  
 6  1  1  A  11  ALA  A    11  .  ?        ?  
 7  1  1  A  12  LEU  A    12  .  ?        ?  
 8  1  1  A  13  TYR  A    13  .  ?        ?  
 9  1  1  A  14  ASP  A    14  .  ?        ?  
10  1  1  A  15  TYR  A    15  .  ?        ?  
11  1  1  A  16  GLN  A    16  .  ?        1  
12  1  1  A  17  GLU  A    17  .  ?        ?  
13  1  1  A  18  LYS  A    18  .  ?        ?  
14  1  1  A  19  SER  A    19  .  ?        ?  
15  1  1  A  20  PRO  A    20  .  ?        ?  
16  1  1  A  21  ARG  A    21  .  ?        ?  
17  1  1  A  22  GLU  A    22  .  ?        ?  
18  1  1  A  23  VAL  A    23  .  ?        ?  
19  1  1  A  24  THR  A    24  .  ?        1  
20  1  1  A  25  MET  A    25  .  ?        ?  
21  1  1  A  26  LYS  A    26  .  ?        1  
22  1  1  A  27  LYS  A    27  .  ?        ?  
23  1  1  A  28  GLY  A    28  .  ?        1  
24  1  1  A  29  ASP  A    29  .  ?        2  
25  1  1  A  30  ILE  A    30  .  ?        ?  
26  1  1  A  31  LEU  A    31  .  ?        5  
27  1  1  A  32  THR  A    32  .  ?        ?  
28  1  1  A  33  LEU  A    33  .  ?        ?  
29  1  1  A  34  LEU  A    34  .  ?        1  
30  1  1  A  35  ASN  A    35  .  ?        1  
31  1  1  A  36  SER  A    36  .  ?        ?  
32  1  1  A  37  THR  A    37  .  ?        1  
33  1  1  A  38  ASN  A    38  .  ?        ?  
34  1  1  A  39  LYS  A    39  .  ?        ?  
35  1  1  A  40  ASP  A    40  .  ?        ?  
36  1  1  A  41  TRP  A    41  .  ?        ?  
37  1  1  A  42  TRP  A    42  .  ?        ?  
38  1  1  A  43  LYS  A    43  .  ?        ?  
39  1  1  A  44  THR  A    44  .  ?        ?  
40  1  1  A  45  GLU  A    45  .  ?        ?  
41  1  1  A  46  VAL  A    46  .  ?        5  
42  1  1  A  47  ASN  A    47  .  ?        2  
43  1  1  A  48  GLY  A    48  .  ?        ?  
44  1  1  A  49  ARG  A    49  .  ?        ?  
45  1  1  A  50  GLN  A    50  .  ?        1  
46  1  1  A  51  GLY  A    51  .  ?        ?  
47  1  1  A  52  PHE  A    52  .  ?        ?  
48  1  1  A  53  VAL  A    53  .  ?        ?  
49  1  1  A  54  PRO  A    54  .  ?        ?  
50  1  1  A  55  ALA  A    55  .  ?        ?  
51  1  1  A  56  ALA  A    56  .  ?        ?  
52  1  1  A  57  TYR  A    57  .  ?        ?  
53  1  1  A  58  VAL  A    58  .  ?        ?  
54  1  1  A  59  LYS  A    59  .  ?        ?  
55  1  1  A  60  LYS  A    60  .  ?        ?  
56  1  1  A  61  LEU  A    61  .  ?        ?  
57  1  1  A  62  ASP  A    62  .  ?        ?  
58  1  2  B   .  HOH  A  2001  .  ?        ?  
59  1  2  B   .  HOH  A  2002  .  ?        ?  
60  1  2  B   .  HOH  A  2003  .  ?        ?  
61  1  2  B   .  HOH  A  2004  .  ?        ?  
62  1  2  B   .  HOH  A  2005  .  ?        ?  
63  1  2  B   .  HOH  A  2006  .  ?        ?  
64  1  2  B   .  HOH  A  2007  .  ?        ?  
65  1  2  B   .  HOH  A  2008  .  ?        ?  
66  1  2  B   .  HOH  A  2009  .  ?        ?  
67  1  2  B   .  HOH  A  2010  .  ?        ?  
68  1  2  B   .  HOH  A  2011  .  ?        ?  
69  1  2  B   .  HOH  A  2012  .  ?        ?  
70  1  2  B   .  HOH  A  2013  .  ?        ?  
71  1  2  B   .  HOH  A  2014  .  ?        ?  
72  1  2  B   .  HOH  A  2015  .  ?        ?  
73  1  2  B   .  HOH  A  2016  .  ?        ?  
74  1  2  B   .  HOH  A  2017  .  ?        ?  
75  1  2  B   .  HOH  A  2018  .  ?        ?  
76  1  2  B   .  HOH  A  2019  .  ?        ?  
77  1  2  B   .  HOH  A  2020  .  ?        ?  
78  1  2  B   .  HOH  A  2021  .  ?        ?  
79  1  2  B   .  HOH  A  2022  .  ?        ?  
80  1  2  B   .  HOH  A  2023  .  ?        ?  
81  1  2  B   .  HOH  A  2024  .  ?        ?  
#
loop_
_pdbx_vrpt_model_instance_geometry.ordinal
_pdbx_vrpt_model_instance_geometry.instance_id
_pdbx_vrpt_model_instance_geometry.rotamer_class
_pdbx_vrpt_model_instance_geometry.phi
_pdbx_vrpt_model_instance_geometry.psi
_pdbx_vrpt_model_instance_geometry.ramachandran_class
_pdbx_vrpt_model_instance_geometry.flippable_sidechain
_pdbx_vrpt_model_instance_geometry.num_H_reduce
_pdbx_vrpt_model_instance_geometry.OWAB
_pdbx_vrpt_model_instance_geometry.num_bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.bonds_RMSZ
_pdbx_vrpt_model_instance_geometry.num_angles_RMSZ
_pdbx_vrpt_model_instance_geometry.angles_RMSZ
_pdbx_vrpt_model_instance_geometry.program_for_bond_angle_geometry
_pdbx_vrpt_model_instance_geometry.average_occupancy
 1   1  OUTLIER       ?      ?  ?           ?    12  56.510     9  0.73    11  0.59  molprobity  1.000  
 2   2  mt-10     -78.8  169.8  Favored     ?     6  55.470     9  1.37    12  0.97  molprobity  1.000  
 3   3  mt       -120.6  140.5  Favored     ?    11  17.430     8  0.43    11  0.63  molprobity  1.000  
 4   4  m        -124.9  148.5  Favored     ?     9  14.200     7  0.27    10  0.61  molprobity  1.000  
 5   5  tp       -103.7  127.4  Favored     ?    11  19.020     8  0.23    11  0.40  molprobity  1.000  
 6   6  ?         -74.7  122.9  Favored     ?     5  14.320     5  0.20     7  0.51  molprobity  1.000  
 7   7  mt        -87.3  -24.1  Favored     ?    11  13.610     8  0.22    11  0.40  molprobity  1.000  
 8   8  m-85     -143.0  168.4  Favored     ?     9  19.620    13  0.34    18  0.49  molprobity  1.000  
 9   9  m-20      -79.4  164.3  Favored     ?     4  35.490     8  0.25    11  0.80  molprobity  1.000  
10  10  t80      -166.6  114.8  Allowed     ?     9  14.210    13  0.36    18  0.36  molprobity  1.000  
11  11  tt0       -94.3  128.2  Favored     ?     8  47.890     9  0.26    12  0.43  molprobity  1.000  
12  12  OUTLIER   -48.9  138.7  Favored     ?     6  37.410     9  0.30    12  0.60  molprobity  1.000  
13  13  mttm     -124.8   11.9  Favored     ?    13  32.160     9  0.53    11  0.64  molprobity  1.000  
14  14  OUTLIER  -153.8  153.5  Favored     ?     5  23.870     6  0.42     9  0.72  molprobity  1.000  
15  15  Cg_exo    -48.8  -37.8  Favored     ?     7  30.740     8  0.18    11  0.66  molprobity  1.000  
16  16  OUTLIER   -85.8   -4.4  Favored     ?    13  42.740    11  0.19    14  0.52  molprobity  1.000  
17  17  mt-10     -87.8  169.9  Favored     ?     6  15.890     9  0.28    12  0.52  molprobity  1.000  
18  18  p        -134.9  155.9  Favored     ?     9  16.780     7  0.32    10  0.44  molprobity  1.000  
19  19  m         -98.0  143.7  Favored     ?     7  11.900     7  0.31    10  0.56  molprobity  1.000  
20  20  ptt?     -145.7  153.9  Favored     ?     9  10.190     8  0.20    10  0.73  molprobity  1.000  
21  21  mttp     -110.9  145.4  Favored     ?    13  35.980     9  0.23    11  0.64  molprobity  1.000  
22  22  tttm      -49.3  133.9  Favored     ?    13  28.500     9  0.21    11  0.59  molprobity  1.000  
23  23  ?          90.2  -10.7  Favored     ?     3  21.850     4  0.21     5  0.17  molprobity  1.000  
24  24  m-20      -60.3  140.6  Favored     ?     4  21.050     8  0.15    11  0.37  molprobity  1.000  
25  25  mm       -104.7  104.3  Favored     ?    11  16.710     8  0.17    11  0.70  molprobity  1.000  
26  26  mt       -103.0  146.2  Favored     ?    11  18.260     8  0.22    11  0.75  molprobity  1.000  
27  27  m         -84.0  117.0  Favored     ?     7  12.320     7  0.30    10  0.78  molprobity  1.000  
28  28  tp        -77.2  116.8  Favored     ?    11  15.820     8  0.22    11  0.65  molprobity  1.000  
29  29  mt        -94.4  -39.3  Favored     ?    11  20.460     8  0.19    11  0.43  molprobity  1.000  
30  30  OUTLIER  -152.4  124.5  Favored     1     6  14.320     8  0.20    11  0.36  molprobity  1.000  
31  31  p        -124.5   28.1  Favored     ?     5  14.650     6  0.26     8  0.26  molprobity  1.000  
32  32  p         -70.5  -28.2  Favored     ?     7  11.870     7  0.31    10  0.64  molprobity  1.000  
33  33  t-20      -91.8  136.9  Favored     ?     6  11.000     8  0.17    11  0.30  molprobity  1.000  
34  34  tttt      -67.1  -30.4  Favored     ?    13  34.740     9  0.26    11  0.82  molprobity  1.000  
35  35  m-20     -103.0  -23.3  Favored     ?     4  24.090     8  0.16    11  0.63  molprobity  1.000  
36  36  m95      -132.8  130.3  Favored     ?    10  11.540    16  0.38    23  0.34  molprobity  1.000  
37  37  m0       -115.8  135.3  Favored     ?    10  11.910    16  0.30    23  0.25  molprobity  1.000  
38  38  tttt      -80.7  132.7  Favored     ?    13  25.230     9  0.24    11  0.44  molprobity  1.000  
39  39  p        -141.1  173.2  Favored     ?     7  12.860     7  0.31    10  0.74  molprobity  1.000  
40  40  tt0      -128.0  117.3  Favored     ?     6  29.060     9  0.23    12  0.47  molprobity  1.000  
41  41  t        -121.5  132.7  Favored     ?     9  33.820     7  0.20    10  0.66  molprobity  1.000  
42  42  p-10       13.9   74.3  OUTLIER     ?     6  78.540     8  0.32    11  0.71  molprobity  1.000  
43  43  ?          92.3   -7.2  Favored     ?     3  64.400     4  0.32     5  1.43  molprobity  1.000  
44  44  OUTLIER  -149.5  145.4  Favored     ?    13  69.510    11  0.18    14  1.22  molprobity  1.000  
45  45  mt-30     -96.9  157.6  Favored     ?     8  37.280     9  0.32    12  0.46  molprobity  1.000  
46  46  ?         161.7  170.1  Favored     ?     3  19.520     4  0.24     5  0.64  molprobity  1.000  
47  47  m-85      -91.4  158.2  Favored     ?     9  16.350    12  0.61    16  0.51  molprobity  1.000  
48  48  m        -143.5  159.5  Favored     ?     9   7.580     7  0.29    11  0.81  molprobity  1.000  
49  49  Cg_exo    -63.4  117.5  Favored     ?     7   5.670     8  0.17    11  0.58  molprobity  1.000  
50  50  ?         -49.5  -39.3  Favored     ?     5  11.660     5  0.22     7  0.29  molprobity  1.000  
51  51  ?         -65.3  -16.2  Favored     ?     5  15.100     5  0.21     7  0.50  molprobity  1.000  
52  52  m-30      -93.2   10.9  Favored     ?     9   8.490    13  0.36    18  0.47  molprobity  1.000  
53  53  m        -139.5  154.8  Favored     ?     9   6.900     7  0.30    10  0.62  molprobity  1.000  
54  54  OUTLIER  -122.3  138.9  Favored     ?    13  32.840     9  0.18    11  0.29  molprobity  1.000  
55  55  mttt      -75.6  134.8  Favored     ?    13  34.500     9  0.24    11  0.44  molprobity  1.000  
56  56  mt       -110.1   75.0  Allowed     ?    11  24.370     8  0.19    11  0.75  molprobity  1.000  
57  57  p30           ?      ?  ?           ?     4  86.010     8  0.54     8  0.52  molprobity  1.000  
58  58  ?             ?      ?  ?           ?     ?  20.310     ?     ?     ?     ?  ?           1.000  
59  59  ?             ?      ?  ?           ?     ?  30.270     ?     ?     ?     ?  ?           1.000  
60  60  ?             ?      ?  ?           ?     ?  44.980     ?     ?     ?     ?  ?           1.000  
61  61  ?             ?      ?  ?           ?     ?  20.980     ?     ?     ?     ?  ?           1.000  
62  62  ?             ?      ?  ?           ?     ?  20.820     ?     ?     ?     ?  ?           1.000  
63  63  ?             ?      ?  ?           ?     ?  40.290     ?     ?     ?     ?  ?           1.000  
64  64  ?             ?      ?  ?           ?     ?  20.600     ?     ?     ?     ?  ?           1.000  
65  65  ?             ?      ?  ?           ?     ?  20.550     ?     ?     ?     ?  ?           1.000  
66  66  ?             ?      ?  ?           ?     ?  20.980     ?     ?     ?     ?  ?           1.000  
67  67  ?             ?      ?  ?           ?     ?  20.410     ?     ?     ?     ?  ?           1.000  
68  68  ?             ?      ?  ?           ?     ?  20.230     ?     ?     ?     ?  ?           1.000  
69  69  ?             ?      ?  ?           ?     ?  39.420     ?     ?     ?     ?  ?           1.000  
70  70  ?             ?      ?  ?           ?     ?  33.690     ?     ?     ?     ?  ?           1.000  
71  71  ?             ?      ?  ?           ?     ?  51.820     ?     ?     ?     ?  ?           1.000  
72  72  ?             ?      ?  ?           ?     ?  49.150     ?     ?     ?     ?  ?           1.000  
73  73  ?             ?      ?  ?           ?     ?  20.820     ?     ?     ?     ?  ?           1.000  
74  74  ?             ?      ?  ?           ?     ?  20.220     ?     ?     ?     ?  ?           1.000  
75  75  ?             ?      ?  ?           ?     ?  45.730     ?     ?     ?     ?  ?           1.000  
76  76  ?             ?      ?  ?           ?     ?  21.020     ?     ?     ?     ?  ?           1.000  
77  77  ?             ?      ?  ?           ?     ?  27.470     ?     ?     ?     ?  ?           1.000  
78  78  ?             ?      ?  ?           ?     ?  30.270     ?     ?     ?     ?  ?           1.000  
79  79  ?             ?      ?  ?           ?     ?  21.280     ?     ?     ?     ?  ?           1.000  
80  80  ?             ?      ?  ?           ?     ?  26.940     ?     ?     ?     ?  ?           1.000  
81  81  ?             ?      ?  ?           ?     ?  24.110     ?     ?     ?     ?  ?           1.000  
#
loop_
_pdbx_vrpt_instance_clashes.ordinal
_pdbx_vrpt_instance_clashes.instance_id
_pdbx_vrpt_instance_clashes.label_atom_id
_pdbx_vrpt_instance_clashes.cid
_pdbx_vrpt_instance_clashes.clashmag
_pdbx_vrpt_instance_clashes.dist
 1   1  HB3    1  0.41  1.58  
 2   2  H      1  0.41  1.58  
 3   4  HG23   2  0.45  1.99  
 4   5  HD11   3  0.44  2.00  
 5  11  HA     4  0.45  1.98  
 6  19  HG23   4  0.45  1.98  
 7  21  O      5  0.45  2.15  
 8  23  HA2    3  0.44  2.00  
 9  24  HB2    5  0.45  2.15  
10  24  HB3    6  0.41  2.03  
11  26  HD22   7  0.62  1.81  
12  26  HD22   8  0.47  1.97  
13  26  HB2    2  0.45  1.99  
14  26  CD2    9  0.44  2.48  
15  26  HD21   6  0.41  2.03  
16  29  HD11  10  0.48  1.95  
17  30  ND2   11  0.56  2.02  
18  32  H     11  0.56  2.02  
19  41  HG22   7  0.62  1.81  
20  41  HG12  12  0.51  2.11  
21  41  HG13   8  0.47  1.97  
22  41  HG13   9  0.44  2.48  
23  41  O     13  0.41  2.59  
24  42  OD1   12  0.51  2.11  
25  42  C     13  0.41  2.59  
26  45  HG2   10  0.48  1.95  
#
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   9  0.657  0.353   1.511  
 2   2   9  0.914  0.192  -0.174  
 3   3   8  0.920  0.168  -0.336  
 4   4   7  0.952  0.127  -0.799  
 5   5   8  0.931  0.131  -0.861  
 6   6   5  0.944  0.139  -0.405  
 7   7   8  0.908  0.150  -0.591  
 8   8  12  0.917  0.171  -0.076  
 9   9   8  0.829  0.189   0.142  
10  10  12  0.874  0.174  -0.030  
11  11   9  0.932  0.206   0.139  
12  12   9  0.894  0.217   0.126  
13  13   9  0.795  0.219  -0.017  
14  14   6  0.934  0.142  -0.330  
15  15   7  0.903  0.190   0.332  
16  16  11  0.880  0.213   0.108  
17  17   9  0.943  0.132  -0.897  
18  18   7  0.937  0.167  -0.213  
19  19   7  0.968  0.091  -1.140  
20  20   8  0.969  0.086  -1.281  
21  21   9  0.904  0.173  -0.542  
22  22   9  0.897  0.199  -0.245  
23  23   4  0.962  0.110  -0.672  
24  24   8  0.953  0.117  -0.820  
25  25   8  0.930  0.142  -0.696  
26  26   8  0.941  0.125  -0.946  
27  27   7  0.950  0.124  -0.659  
28  28   8  0.931  0.174  -0.251  
29  29   8  0.904  0.165  -0.379  
30  30   8  0.949  0.129  -0.652  
31  31   6  0.958  0.094  -0.999  
32  32   7  0.958  0.133  -0.528  
33  33   8  0.974  0.102  -1.023  
34  34   9  0.894  0.193  -0.314  
35  35   8  0.878  0.146  -0.433  
36  36  14  0.905  0.151  -0.325  
37  37  14  0.930  0.145  -0.415  
38  38   9  0.943  0.135  -0.975  
39  39   7  0.911  0.140  -0.426  
40  40   9  0.885  0.175  -0.379  
41  41   7  0.853  0.180  -0.022  
42  42   8  0.657  0.358   2.493  
43  43   4  0.862  0.238   1.028  
44  44  11  0.842  0.293   1.106  
45  45   9  0.903  0.201   0.077  
46  46   4  0.949  0.154  -0.088  
47  47  11  0.932  0.153  -0.428  
48  48   7  0.953  0.123  -0.858  
49  49   7  0.972  0.072  -1.365  
50  50   5  0.952  0.107  -0.868  
51  51   5  0.964  0.086  -1.172  
52  52  12  0.946  0.119  -0.869  
53  53   7  0.947  0.111  -1.034  
54  54   9  0.881  0.218  -0.029  
55  55   9  0.925  0.138  -0.941  
56  56   8  0.868  0.205   0.189  
57  57   9  0.612  0.371   2.571  
58  58   1  0.959  0.087       ?  
59  59   1  0.858  0.254       ?  
60  60   1  0.764  0.297       ?  
61  61   1  0.795  0.201       ?  
62  62   1  0.917  0.157       ?  
63  63   1  0.871  0.140       ?  
64  64   1  0.853  0.191       ?  
65  65   1  0.929  0.325       ?  
66  66   1  0.899  0.252       ?  
67  67   1  0.746  0.354       ?  
68  68   1  0.826  0.324       ?  
69  69   1  0.841  0.170       ?  
70  70   1  0.868  0.302       ?  
71  71   1  0.590  0.694       ?  
72  72   1  0.879  0.535       ?  
73  73   1  0.765  0.143       ?  
74  74   1  0.947  0.111       ?  
75  75   1  0.899  0.305       ?  
76  76   1  0.869  0.305       ?  
77  77   1  0.954  0.348       ?  
78  78   1  0.654  0.455       ?  
79  79   1  0.914  0.104       ?  
80  80   1  0.969  0.255       ?  
81  81   1  0.881  0.293       ?  
#
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  
##
