Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
490360 | 2ksa RC | 20116 | cing | 2-parsed | STAR | dihedral angle | 9 |
data_2ksa_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ksa
_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_2ksa 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ksa
_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 2ksa "Master copy" parsed_2ksa
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ksa
_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 2ksa.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ksa 1
1 2ksa.mr . . XPLOR/CNS 2 distance NOE simple 119 parsed_2ksa 1
1 2ksa.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_2ksa 1
1 2ksa.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ksa 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ksa
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -52.0 . . 365 . c . 366 . n . 366 . ca . 366 . c parsed_2ksa 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 366 . c . 367 . n . 367 . ca . 367 . c parsed_2ksa 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -52.0 . . 367 . c . 368 . n . 368 . ca . 368 . c parsed_2ksa 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 368 . c . 369 . n . 369 . ca . 369 . c parsed_2ksa 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 369 . c . 370 . n . 370 . ca . 370 . c parsed_2ksa 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 370 . c . 371 . n . 371 . ca . 371 . c parsed_2ksa 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 371 . c . 372 . n . 372 . ca . 372 . c parsed_2ksa 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -55.0 . . 373 . c . 374 . n . 374 . ca . 374 . c parsed_2ksa 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 374 . c . 375 . n . 375 . ca . 375 . c parsed_2ksa 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 restraints: minimum deviation = 30 degrees
! 366
;
1 1 4 12 parsed_2ksa 1
2 "! 367" 7 3 7 12 parsed_2ksa 1
3 "! 368" 10 3 10 12 parsed_2ksa 1
4 "! 369" 13 3 13 12 parsed_2ksa 1
5 "! 370" 16 3 16 12 parsed_2ksa 1
6 "! 371" 19 4 19 13 parsed_2ksa 1
7 "! 372" 22 4 22 12 parsed_2ksa 1
8 "! 374" 25 3 25 11 parsed_2ksa 1
9 "! 375" 28 3 28 11 parsed_2ksa 1
10 ! 31 3 31 5 parsed_2ksa 1
stop_
save_