Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
618612 | 5w54 RC | 30306 | cing | 2-parsed | STAR | dihedral angle | 20 |
data_5w54_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5w54
_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_5w54 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5w54
_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 5w54 "Master copy" parsed_5w54
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5w54
_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 5w54.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5w54 1
1 5w54.mr . . XPLOR/CNS 2 distance NOE simple 194 parsed_5w54 1
1 5w54.mr . . XPLOR/CNS 3 distance "general distance" simple 2 parsed_5w54 1
1 5w54.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 8 parsed_5w54 1
1 5w54.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_5w54 1
1 5w54.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5w54 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5w54
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -40.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_5w54 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_5w54 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_5w54 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_5w54 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -80.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_5w54 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_5w54 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 120.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_5w54 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_5w54 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_5w54 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0 -90.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_5w54 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_5w54 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_5w54 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_5w54 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_5w54 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_5w54 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 60.0 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_5w54 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_5w54 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_5w54 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_5w54 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 180.0 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_5w54 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
;
Phi
P9
;
2 1 3 4 parsed_5w54 1
2 R12 7 1 7 5 parsed_5w54 1
3 V13 11 1 11 5 parsed_5w54 1
4 R14 15 1 15 5 parsed_5w54 1
5 R15 19 1 19 5 parsed_5w54 1
6 L16 23 1 23 5 parsed_5w54 1
7 G17 28 1 28 5 parsed_5w54 1
8 I18 34 1 34 5 parsed_5w54 1
9 C19 38 1 38 5 parsed_5w54 1
10 V20 42 1 42 5 parsed_5w54 1
11
;
Psi
P9
;
46 1 48 4 parsed_5w54 1
12 R12 52 1 52 5 parsed_5w54 1
13 V13 56 1 56 5 parsed_5w54 1
14 R14 59 1 59 5 parsed_5w54 1
15 R15 63 1 63 5 parsed_5w54 1
16 L16 67 1 67 5 parsed_5w54 1
17 G17 72 1 72 5 parsed_5w54 1
18 I18 76 1 76 5 parsed_5w54 1
19 C19 80 1 80 5 parsed_5w54 1
20 V20 84 1 84 5 parsed_5w54 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 2: SRP2Dihedral_SbqKBfF.tbl" 1 1 1 45 parsed_5w54 1
stop_
save_