NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
615285 |
5n14   |
34094 | cing | 2-parsed | STAR | dihedral angle | 33 |
data_5n14_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5n14
_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_5n14 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5n14
_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 5n14 "Master copy" parsed_5n14
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5n14
_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 5n14.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5n14 1
1 5n14.mr . . unknown 2 unknown "Not applicable" "Not applicable" 0 parsed_5n14 1
1 5n14.mr . . DYANA/DIANA 3 distance NOE simple 181 parsed_5n14 1
1 5n14.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 36 parsed_5n14 1
1 5n14.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 33 parsed_5n14 1
1 5n14.mr . . AMBER 6 distance NOE simple 0 parsed_5n14 1
1 5n14.mr . . AMBER 7 distance "hydrogen bond" simple 0 parsed_5n14 1
1 5n14.mr . . AMBER 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_5n14 1
1 5n14.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5n14 1
stop_
save_
save_DYANA/DIANA_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5n14
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.2 -53.2 . . 64 ALA . . . . . . . . . . . . . parsed_5n14 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 153.0 . . 64 ALA . . . . . . . . . . . . . parsed_5n14 1
3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.0 153.0 . . 64 ALA . . . . . . . . . . . . . parsed_5n14 1
4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -156.9 -50.7 . . 65 CYS . . . . . . . . . . . . . parsed_5n14 1
5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.8 153.2 . . 65 CYS . . . . . . . . . . . . . parsed_5n14 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 95.8 153.2 . . 65 CYS . . . . . . . . . . . . . parsed_5n14 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.8 -65.8 . . 66 ASP . . . . . . . . . . . . . parsed_5n14 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.1 123.5 . . 66 ASP . . . . . . . . . . . . . parsed_5n14 1
9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 82.1 123.5 . . 66 ASP . . . . . . . . . . . . . parsed_5n14 1
10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.7 -38.4 . . 67 ILE . . . . . . . . . . . . . parsed_5n14 1
11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.8 31.3 . . 67 ILE . . . . . . . . . . . . . parsed_5n14 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.8 31.3 . . 67 ILE . . . . . . . . . . . . . parsed_5n14 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.1 -53.1 . . 69 GLY . . . . . . . . . . . . . parsed_5n14 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.4 224.9 . . 69 GLY . . . . . . . . . . . . . parsed_5n14 1
15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.4 224.9 . . 69 GLY . . . . . . . . . . . . . parsed_5n14 1
16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.4 -49.7 . . 70 ARG . . . . . . . . . . . . . parsed_5n14 1
17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.4 162.0 . . 70 ARG . . . . . . . . . . . . . parsed_5n14 1
18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.4 162.0 . . 70 ARG . . . . . . . . . . . . . parsed_5n14 1
19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.1 -56.6 . . 71 LYS . . . . . . . . . . . . . parsed_5n14 1
20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.2 151.5 . . 71 LYS . . . . . . . . . . . . . parsed_5n14 1
21 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.2 151.5 . . 71 LYS . . . . . . . . . . . . . parsed_5n14 1
22 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -60.7 . . 72 PHE . . . . . . . . . . . . . parsed_5n14 1
23 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.8 160.4 . . 72 PHE . . . . . . . . . . . . . parsed_5n14 1
24 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.8 160.4 . . 72 PHE . . . . . . . . . . . . . parsed_5n14 1
25 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -144.0 -62.5 . . 73 ALA . . . . . . . . . . . . . parsed_5n14 1
26 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 185.0 . . 73 ALA . . . . . . . . . . . . . parsed_5n14 1
27 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.7 185.0 . . 73 ALA . . . . . . . . . . . . . parsed_5n14 1
28 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 74 ARG . . . . . . . . . . . . . parsed_5n14 1
29 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -4.6 . . 74 ARG . . . . . . . . . . . . . parsed_5n14 1
30 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -4.6 . . 74 ARG . . . . . . . . . . . . . parsed_5n14 1
31 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 31.1 . . 85 LYS . . . . . . . . . . . . . parsed_5n14 1
32 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.3 25.8 . . 85 LYS . . . . . . . . . . . . . parsed_5n14 1
33 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.3 25.8 . . 85 LYS . . . . . . . . . . . . . parsed_5n14 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 ========================================== 1 1 1 43 parsed_5n14 1
2 "CL112:DYANA, Dihedral anagles restraints" 2 1 2 42 parsed_5n14 1
3 ========================================== 3 1 3 43 parsed_5n14 1
stop_
save_
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