Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
644893 | 6obw RC | 30593 | cing | 2-parsed | STAR | dihedral angle | 19 |
data_6obw_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6obw
_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_6obw 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6obw
_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 6obw "Master copy" parsed_6obw
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6obw
_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 6obw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6obw 1
1 6obw.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_6obw 1
1 6obw.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_6obw 1
1 6obw.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6obw 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6obw
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 4 . n . 4 . ca . 4 . cb . 4 . cg parsed_6obw 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 7 . n . 7 . ca . 7 . cb . 7 . cg parsed_6obw 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 10 . n . 10 . ca . 10 . cb . 10 . cg parsed_6obw 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -43.7 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6obw 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -19.7 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6obw 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6obw 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.5 -10.5 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6obw 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.5 -50.5 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6obw 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.7 -7.7 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6obw 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.6 -87.6 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6obw 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -33.5 11.9 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6obw 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.4 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6obw 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.1 -11.1 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6obw 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6obw 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -16.9 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6obw 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6obw 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.5 -11.3 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6obw 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.3 -38.1 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6obw 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 16.1 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6obw 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 L4 2 1 2 4 parsed_6obw 1
2 F7 7 1 7 4 parsed_6obw 1
3 D10 12 1 12 5 parsed_6obw 1
4
;
Phi/Psi Angles From 'Strong' TALOS-N Predictions:
error margins are set to conservative default values of double the
standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
17 1 19 81 parsed_6obw 1
5
;
Phi/Psi Angles From 'Generous' TALOS-N Predictions:
error margins are set to default values of triple the standard
deviation observed in TALOS-N capped at a minimum of +/-20 degree.
;
53 1 55 72 parsed_6obw 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 1: CSP1CYCK6D10_chi1.tbl" 1 1 1 42 parsed_6obw 1
2 "# Restraints file 2: CSP1CYCK6D10_phi_psi_dih.tbl" 16 1 16 49 parsed_6obw 1
stop_
save_