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 |
|
|
29661 |
1b9r   |
cing | 2-parsed | STAR | dihedral angle | 39 |
data_1b9r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1b9r
_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_1b9r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1b9r
_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 1b9r "Master copy" parsed_1b9r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1b9r
_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 1b9r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1b9r 1
1 1b9r.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 123 parsed_1b9r 1
1 1b9r.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1b9r 1
1 1b9r.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 39 parsed_1b9r 1
1 1b9r.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1b9r 1
1 1b9r.mr . . XPLOR/CNS 6 distance NOE simple 0 parsed_1b9r 1
1 1b9r.mr . . XPLOR/CNS 7 distance "general distance" simple 0 parsed_1b9r 1
1 1b9r.mr . . XPLOR/CNS 8 distance "general distance" simple 0 parsed_1b9r 1
1 1b9r.mr . . XPLOR/CNS 9 distance NOE simple 0 parsed_1b9r 1
1 1b9r.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1b9r 1
1 1b9r.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1b9r 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1b9r
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.000 112.000 . . 39 . n . 39 . ca . 39 . cb . 39 . sg parsed_1b9r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56.000 96.000 . . 45 . n . 45 . ca . 45 . cb . 45 . sg parsed_1b9r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44.000 84.000 . . 48 . n . 48 . ca . 48 . cb . 48 . sg parsed_1b9r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47.000 87.000 . . 86 . n . 86 . ca . 86 . cb . 86 . sg parsed_1b9r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.000 -65.000 . . 39 . ca . 39 . cb . 39 . sg . 106 . fe1 parsed_1b9r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.000 -28.000 . . 45 . ca . 45 . cb . 45 . sg . 106 . fe1 parsed_1b9r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.000 -114.000 . . 48 . ca . 48 . cb . 48 . sg . 106 . fe2 parsed_1b9r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.000 -96.000 . . 86 . ca . 86 . cb . 86 . sg . 106 . fe2 parsed_1b9r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.000 -15.000 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1b9r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.000 -1.000 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_1b9r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -121.000 -41.000 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1b9r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.000 44.000 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1b9r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23.000 103.000 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1b9r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.000 77.000 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_1b9r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37.000 117.000 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1b9r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16.000 64.000 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1b9r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.000 -59.000 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1b9r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.000 52.000 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1b9r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.000 101.000 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1b9r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.000 80.000 . . 43 . n . 43 . ca . 43 . c . 44 . n parsed_1b9r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165.000 -85.000 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1b9r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.000 53.000 . . 44 . n . 44 . ca . 44 . c . 45 . n parsed_1b9r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -191.000 -111.000 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1b9r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -213.000 -133.000 . . 45 . n . 45 . ca . 45 . c . 46 . n parsed_1b9r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.000 -96.000 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1b9r 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -12.000 68.000 . . 46 . n . 46 . ca . 46 . c . 47 . n parsed_1b9r 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.000 -33.000 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1b9r 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.000 26.000 . . 47 . n . 47 . ca . 47 . c . 48 . n parsed_1b9r 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.000 -56.000 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1b9r 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -28.000 52.000 . . 48 . n . 48 . ca . 48 . c . 49 . n parsed_1b9r 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.000 -12.000 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1b9r 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.000 -43.000 . . 83 . c . 84 . n . 84 . ca . 84 . c parsed_1b9r 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.000 154.000 . . 84 . n . 84 . ca . 84 . c . 85 . n parsed_1b9r 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.000 -12.000 . . 84 . c . 85 . n . 85 . ca . 85 . c parsed_1b9r 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.000 9.000 . . 85 . n . 85 . ca . 85 . c . 86 . n parsed_1b9r 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.000 -34.000 . . 85 . c . 86 . n . 86 . ca . 86 . c parsed_1b9r 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.000 30.000 . . 86 . n . 86 . ca . 86 . c . 87 . n parsed_1b9r 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.000 -59.000 . . 86 . c . 87 . n . 87 . ca . 87 . c parsed_1b9r 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.000 39.000 . . 87 . n . 87 . ca . 87 . c . 88 . n parsed_1b9r 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "for fe2s2 loops modeled from ADX" 1 1 1 34 parsed_1b9r 1
stop_
save_
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