NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
53357 | 2qh3 | 7404 | cing | 2-parsed | STAR | dihedral angle | 17 |
data_2qh3_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2qh3 _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_2qh3 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2qh3 _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 2qh3 "Master copy" parsed_2qh3 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2qh3 _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 2qh3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2qh3 1 1 2qh3.mr . . XPLOR/CNS 2 distance NOE simple 497 parsed_2qh3 1 1 2qh3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 166 parsed_2qh3 1 1 2qh3.mr . . XPLOR/CNS 4 planarity "Not applicable" "Not applicable" 0 parsed_2qh3 1 1 2qh3.mr . . XPLOR/CNS 5 stereochemistry chirality "Not applicable" 0 parsed_2qh3 1 1 2qh3.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 17 parsed_2qh3 1 1 2qh3.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2qh3 1 stop_ save_ save_CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2qh3 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H21 . $namin . N2 . $namin . C2 . $namin . N1 parsed_2qh3 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H22 . $namin . N2 . $namin . C2 . $namin . N3 parsed_2qh3 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin2 . H41 . $namin2 . N4 . $namin2 . C4 . $namin2 . N3 parsed_2qh3 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin2 . H42 . $namin2 . N4 . $namin2 . C4 . $namin2 . C5 parsed_2qh3 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin3 . H61 . $namin3 . N6 . $namin3 . C6 . $namin3 . N1 parsed_2qh3 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin3 . H62 . $namin3 . N6 . $namin3 . C6 . $namin3 . C5 parsed_2qh3 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 90.0 . . $nchir . O4' . $nchir ADE N9 . $nchir . C2' . $nchir . H1' parsed_2qh3 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 90.0 . . $nchir . C1' . $nchir . C3' . $nchir . O2' . $nchir . H2' parsed_2qh3 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 90.0 . . $nchir . C2' . $nchir . C4' . $nchir . O3' . $nchir . H3' parsed_2qh3 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 90.0 . . $nchir . C3' . $nchir . C5' . $nchir . O4' . $nchir . H4' parsed_2qh3 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 90.0 . . $nchir . C4' . $nchir . O5' . $nchir . H5'' . $nchir . H5' parsed_2qh3 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H21 . $namin . N2 . $namin . C2 . $namin . N1 parsed_2qh3 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H22 . $namin . N2 . $namin . C2 . $namin . N3 parsed_2qh3 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin2 . H41 . $namin2 . N4 . $namin2 . C4 . $namin2 . N3 parsed_2qh3 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin2 . H42 . $namin2 . N4 . $namin2 . C4 . $namin2 . C5 parsed_2qh3 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin3 . H61 . $namin3 . N6 . $namin3 . C6 . $namin3 . N1 parsed_2qh3 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin3 . H62 . $namin3 . N6 . $namin3 . C6 . $namin3 . C5 parsed_2qh3 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 "{* keep Gua amino groups flat *}" 1 1 1 34 parsed_2qh3 1 2 "{* keep cytosine amino flat *}" 22 1 22 32 parsed_2qh3 1 3 "{* keep adenine amino flat *}" 44 1 44 31 parsed_2qh3 1 4 RDC 63 1 63 5 parsed_2qh3 1 5 "changed from H2'' for use on ribose--jem" 77 38 77 38 parsed_2qh3 1 6 "{* keep Gua amino groups flat *}" 103 1 103 34 parsed_2qh3 1 7 "{* keep cytosine amino flat *}" 124 1 124 32 parsed_2qh3 1 8 "{* keep adenine amino flat *}" 146 1 146 31 parsed_2qh3 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 ; for $namin in (1 2 4 6 14 16 17) loop amino restraints dihedral scale= 1.0 ; 2 1 6 11 parsed_2qh3 1 2 ; end end loop amino !{* keep cytosine amino flat *} for $namin2 in (7 8 12 18 20 22 23) loop amino2 restraints dihedral scale= 1.0 ; 18 1 27 11 parsed_2qh3 1 3 ; end end loop amino2 !{* keep adenine amino flat *} for $namin3 in (3 11 19) loop amino3 restraints dihedral scale= 1.0 ; 40 1 49 11 parsed_2qh3 1 4 ; end end loop chiral !{* keep Gua amino groups flat *} for $namin in (1 2 4 6 14 16 17) loop amino restraints dihedral scale= 1.0 ; 98 1 108 11 parsed_2qh3 1 5 ; end end loop amino !{* keep cytosine amino flat *} for $namin2 in (7 8 12 18 20 22 23) loop amino2 restraints dihedral scale= 1.0 ; 120 1 129 11 parsed_2qh3 1 6 ; end end loop amino2 !{* keep adenine amino flat *} for $namin3 in (3 11 19) loop amino3 restraints dihedral scale= 1.0 ; 142 1 151 11 parsed_2qh3 1 7 "Entry H atom name Submitted Coord H atom name" 166 3 166 55 parsed_2qh3 1 stop_ save_
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