Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
570939 | 2rt4 RC | 11524 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_2rt4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2rt4
_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_2rt4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2rt4
_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 2rt4 "Master copy" parsed_2rt4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2rt4
_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 2rt4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2rt4 1
1 2rt4.mr . . XPLOR/CNS 2 distance NOE ambi 258 parsed_2rt4 1
1 2rt4.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_2rt4 1
1 2rt4.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_2rt4 1
1 2rt4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2rt4 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2rt4
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 1 . c . 2 . n . 2 . ca . 2 . c parsed_2rt4 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_2rt4 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 3 . c . 4 . n . 4 . ca . 4 . c parsed_2rt4 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -30.0 . . 4 . c . 5 . n . 5 . ca . 5 . c parsed_2rt4 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_2rt4 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -30.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2rt4 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -30.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2rt4 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2rt4 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -30.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2rt4 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2rt4 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2rt4 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2rt4 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2rt4 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2rt4 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2rt4 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2rt4 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -30.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2rt4 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -30.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2rt4 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
-120 +- 50 for > 8.0
-65 +- 35 for < 6.5
-100 +- 70 for 6.5-8.0
! 2
;
1 1 6 8 parsed_2rt4 1
2 "! 3" 9 1 9 8 parsed_2rt4 1
3 "! 4" 12 1 12 8 parsed_2rt4 1
4 "! 5" 15 1 15 8 parsed_2rt4 1
5 "! 6" 18 1 18 8 parsed_2rt4 1
6 "! 7" 21 1 21 8 parsed_2rt4 1
7 "! 9" 24 1 24 8 parsed_2rt4 1
8 "! 10" 27 1 27 9 parsed_2rt4 1
9 "! 12" 30 1 30 9 parsed_2rt4 1
10 "! 13" 33 1 33 9 parsed_2rt4 1
11 "! 15" 36 1 36 9 parsed_2rt4 1
12 "! 16" 39 1 39 9 parsed_2rt4 1
13 "! 17" 42 1 42 9 parsed_2rt4 1
14 "! 18" 45 1 45 9 parsed_2rt4 1
15 "! 19" 48 1 48 9 parsed_2rt4 1
16 "! 20" 51 1 51 9 parsed_2rt4 1
17 "! 21" 54 1 54 9 parsed_2rt4 1
18 "! 22" 57 1 57 9 parsed_2rt4 1
stop_
save_