NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
505421 |
2yre   |
cing | 2-parsed | STAR | dihedral angle | 72 |
data_2yre_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2yre
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2yre 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2yre
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2yre "Master copy" parsed_2yre
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2yre
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2yre.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2yre 1
1 2yre.mr . . DYANA/DIANA 2 distance "general distance" simple 61 parsed_2yre 1
1 2yre.mr . . DYANA/DIANA 3 distance "general distance" simple 51 parsed_2yre 1
1 2yre.mr . . DYANA/DIANA 4 "dihedral combo" ambi "Not applicable" 0 parsed_2yre 1
1 2yre.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 354 parsed_2yre 1
1 2yre.mr . . DYANA/DIANA 6 distance NOE simple 1542 parsed_2yre 1
1 2yre.mr . . DYANA/DIANA 7 "dihedral angle" "Not applicable" "Not applicable" 72 parsed_2yre 1
1 2yre.mr . . DYANA/DIANA 8 distance NOE simple 0 parsed_2yre 1
1 2yre.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2yre 1
stop_
save_
save_DYANA/DIANA_dihedral_7
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2yre
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 7
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.0 -62.0 . . 14 HIST . . . . . . . . . . . . . parsed_2yre 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.9 168.9 . . 14 HIST . . . . . . . . . . . . . parsed_2yre 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.4 -29.4 . . 15 SER . . . . . . . . . . . . . parsed_2yre 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.6 -5.6 . . 15 SER . . . . . . . . . . . . . parsed_2yre 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.7 -36.7 . . 16 HIS . . . . . . . . . . . . . parsed_2yre 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.1 -8.1 . . 16 HIS . . . . . . . . . . . . . parsed_2yre 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.3 -31.4 . . 17 CYSS . . . . . . . . . . . . . parsed_2yre 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.2 -12.2 . . 17 CYSS . . . . . . . . . . . . . parsed_2yre 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.4 -37.4 . . 18 VAL . . . . . . . . . . . . . parsed_2yre 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.7 8.3 . . 18 VAL . . . . . . . . . . . . . parsed_2yre 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.4 -44.4 . . 22 SER . . . . . . . . . . . . . parsed_2yre 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.1 182.1 . . 22 SER . . . . . . . . . . . . . parsed_2yre 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.7 -38.7 . . 25 CYSS . . . . . . . . . . . . . parsed_2yre 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.0 163.0 . . 25 CYSS . . . . . . . . . . . . . parsed_2yre 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.2 -44.2 . . 27 THR . . . . . . . . . . . . . parsed_2yre 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.8 159.8 . . 27 THR . . . . . . . . . . . . . parsed_2yre 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 165.5 . . 29 PRO . . . . . . . . . . . . . parsed_2yre 1
18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.2 -86.2 . . 34 SER . . . . . . . . . . . . . parsed_2yre 1
19 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.6 172.6 . . 34 SER . . . . . . . . . . . . . parsed_2yre 1
20 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.1 -85.1 . . 47 VAL . . . . . . . . . . . . . parsed_2yre 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.5 177.5 . . 47 VAL . . . . . . . . . . . . . parsed_2yre 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.8 -73.8 . . 48 PHE . . . . . . . . . . . . . parsed_2yre 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.2 183.2 . . 48 PHE . . . . . . . . . . . . . parsed_2yre 1
24 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.5 -32.5 . . 50 SER . . . . . . . . . . . . . parsed_2yre 1
25 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.1 -9.1 . . 50 SER . . . . . . . . . . . . . parsed_2yre 1
26 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.3 -39.3 . . 51 CYSS . . . . . . . . . . . . . parsed_2yre 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.2 5.8 . . 51 CYSS . . . . . . . . . . . . . parsed_2yre 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.5 -28.5 . . 53 ALA . . . . . . . . . . . . . parsed_2yre 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.1 -7.1 . . 53 ALA . . . . . . . . . . . . . parsed_2yre 1
30 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.1 -33.1 . . 54 ASP . . . . . . . . . . . . . parsed_2yre 1
31 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.1 -11.1 . . 54 ASP . . . . . . . . . . . . . parsed_2yre 1
32 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.2 -39.2 . . 55 GLU . . . . . . . . . . . . . parsed_2yre 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.7 -9.7 . . 55 GLU . . . . . . . . . . . . . parsed_2yre 1
34 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.4 -34.4 . . 56 HIS . . . . . . . . . . . . . parsed_2yre 1
35 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -12.0 . . 56 HIS . . . . . . . . . . . . . parsed_2yre 1
36 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.4 -33.4 . . 57 ARG . . . . . . . . . . . . . parsed_2yre 1
37 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.6 -5.6 . . 57 ARG . . . . . . . . . . . . . parsed_2yre 1
38 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.8 -36.8 . . 58 LEU . . . . . . . . . . . . . parsed_2yre 1
39 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 3.0 . . 58 LEU . . . . . . . . . . . . . parsed_2yre 1
40 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -56.0 . . 64 ARG . . . . . . . . . . . . . parsed_2yre 1
41 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.2 161.2 . . 64 ARG . . . . . . . . . . . . . parsed_2yre 1
42 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.6 -85.6 . . 65 VAL . . . . . . . . . . . . . parsed_2yre 1
43 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.5 173.5 . . 65 VAL . . . . . . . . . . . . . parsed_2yre 1
44 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.2 169.2 . . 66 PRO . . . . . . . . . . . . . parsed_2yre 1
45 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.5 -33.5 . . 68 LEU . . . . . . . . . . . . . parsed_2yre 1
46 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -0.7 . . 68 LEU . . . . . . . . . . . . . parsed_2yre 1
47 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.9 -31.9 . . 70 SER . . . . . . . . . . . . . parsed_2yre 1
48 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 3.9 . . 70 SER . . . . . . . . . . . . . parsed_2yre 1
49 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.2 -37.2 . . 71 ASP . . . . . . . . . . . . . parsed_2yre 1
50 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.6 4.4 . . 71 ASP . . . . . . . . . . . . . parsed_2yre 1
51 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.9 -56.9 . . 74 CYSS . . . . . . . . . . . . . parsed_2yre 1
52 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.5 169.5 . . 74 CYSS . . . . . . . . . . . . . parsed_2yre 1
53 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.1 -103.1 . . 78 MET . . . . . . . . . . . . . parsed_2yre 1
54 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 129.3 189.3 . . 78 MET . . . . . . . . . . . . . parsed_2yre 1
55 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.1 -54.1 . . 79 ALA . . . . . . . . . . . . . parsed_2yre 1
56 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 118.0 178.0 . . 79 ALA . . . . . . . . . . . . . parsed_2yre 1
57 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.2 -28.2 . . 80 ARG . . . . . . . . . . . . . parsed_2yre 1
58 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.5 -6.5 . . 80 ARG . . . . . . . . . . . . . parsed_2yre 1
59 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.3 -38.3 . . 81 ASN . . . . . . . . . . . . . parsed_2yre 1
60 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.1 9.9 . . 81 ASN . . . . . . . . . . . . . parsed_2yre 1
61 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -28.7 . . 83 VAL . . . . . . . . . . . . . parsed_2yre 1
62 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.4 -5.4 . . 83 VAL . . . . . . . . . . . . . parsed_2yre 1
63 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.3 -32.3 . . 84 ALA . . . . . . . . . . . . . parsed_2yre 1
64 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.2 -8.2 . . 84 ALA . . . . . . . . . . . . . parsed_2yre 1
65 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -36.3 . . 85 GLU . . . . . . . . . . . . . parsed_2yre 1
66 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.2 -10.2 . . 85 GLU . . . . . . . . . . . . . parsed_2yre 1
67 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.7 -35.7 . . 86 HIS . . . . . . . . . . . . . parsed_2yre 1
68 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.9 -12.9 . . 86 HIS . . . . . . . . . . . . . parsed_2yre 1
69 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.5 -32.5 . . 87 LEU . . . . . . . . . . . . . parsed_2yre 1
70 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 87 LEU . . . . . . . . . . . . . parsed_2yre 1
71 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.3 -36.3 . . 88 GLU . . . . . . . . . . . . . parsed_2yre 1
72 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -0.7 . . 88 GLU . . . . . . . . . . . . . parsed_2yre 1
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save_
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