NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
33916 | 1j5l | 4754 | cing | 2-parsed | STAR | dihedral angle | 19 |
data_1j5l_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1j5l _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_1j5l 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1j5l _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 1j5l "Master copy" parsed_1j5l stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1j5l _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 1j5l.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j5l 1 1 1j5l.mr . . XPLOR/CNS 2 distance NOE simple 236 parsed_1j5l 1 1 1j5l.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_1j5l 1 1 1j5l.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j5l 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1j5l _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 2 . c . 3 . n . 3 . ca . 3 . c parsed_1j5l 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1j5l 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1j5l 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1j5l 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1j5l 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1j5l 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1j5l 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1j5l 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_1j5l 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1j5l 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 90.0 . . 3 . n . 3 . ca . 3 . cb . 3 . sg parsed_1j5l 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 6 . n . 6 . ca . 6 . cb . 6 . sg parsed_1j5l 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . n . 12 . ca . 12 . cb . 12 . sg parsed_1j5l 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . n . 18 . ca . 18 . cb . 18 . sg parsed_1j5l 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . n . 22 . ca . 22 . cb . 22 . sg parsed_1j5l 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 26 . n . 26 . ca . 26 . cb . 26 . sg parsed_1j5l 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . n . 29 . ca . 29 . cb . 29 . sg parsed_1j5l 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . . 12 . ca . 12 . cb . 12 . sg . 32 . kr1 parsed_1j5l 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . 18 . ca . 18 . cb . 18 . sg . 32 . kr1 parsed_1j5l 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 ; dihedral angle restraints ! ! Phi restraints: minimum deviation = 30 degrees betac domain ! 3 ; 1 1 6 10 parsed_1j5l 1 2 ; changed ! 6 ; 8 78 9 12 parsed_1j5l 1 3 "! 23 exchanged from 8" 12 3 12 30 parsed_1j5l 1 4 ; changed from -120 ! 16 ; 14 81 15 11 parsed_1j5l 1 5 ; changed from -105 ! 18 ; 17 79 18 11 parsed_1j5l 1 6 ; changed from -105 ! 19 ; 20 79 21 11 parsed_1j5l 1 7 "! 21" 24 3 24 11 parsed_1j5l 1 8 "! 22" 27 3 27 12 parsed_1j5l 1 9 "! 29" 30 3 30 11 parsed_1j5l 1 10 "! 31" 33 3 33 11 parsed_1j5l 1 11 ; ! ! Chi1 restraints: minimum deviation = 30 degrees !3 ; 36 1 39 6 parsed_1j5l 1 12 !6 42 3 42 8 parsed_1j5l 1 13 !12 45 3 45 7 parsed_1j5l 1 14 !18 48 3 48 7 parsed_1j5l 1 15 !22 51 3 51 7 parsed_1j5l 1 16 !26 54 3 54 7 parsed_1j5l 1 17 !29 57 3 57 7 parsed_1j5l 1 18 ; ! !metal cluster chi2 restraints !12 ; 61 1 63 7 parsed_1j5l 1 19 !18 66 3 66 7 parsed_1j5l 1 stop_ save_
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