NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
35829 | 1me0 | cing | 2-parsed | STAR | dihedral angle | 60 |
data_1me0_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1me0 _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_1me0 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1me0 _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 1me0 "Master copy" parsed_1me0 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1me0 _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 1me0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1me0 1 1 1me0.mr . . XPLOR/CNS 2 distance NOE simple 174 parsed_1me0 1 1 1me0.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_1me0 1 1 1me0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 60 parsed_1me0 1 1 1me0.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1me0 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1me0 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 1 . c4' . 1 . o4' . 1 . c1' . 1 . c2' parsed_1me0 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 2 . c4' . 2 . o4' . 2 . c1' . 2 . c2' parsed_1me0 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 3 . c4' . 3 . o4' . 3 . c1' . 3 . c2' parsed_1me0 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 4 . c4' . 4 . o4' . 4 . c1' . 4 . c2' parsed_1me0 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.3 8.7 . . 5 . c4' . 5 . o4' . 5 . c1' . 5 . c2' parsed_1me0 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 6 . c4' . 6 . o4' . 6 . c1' . 6 . c2' parsed_1me0 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 7 . c4' . 7 . o4' . 7 . c1' . 7 . c2' parsed_1me0 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -11.3 8.7 . . 8 . c4' . 8 . o4' . 8 . c1' . 8 . c2' parsed_1me0 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 9 . c4' . 9 . o4' . 9 . c1' . 9 . c2' parsed_1me0 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 10 . c4' . 10 . o4' . 10 . c1' . 10 . c2' parsed_1me0 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 11 . c4' . 11 . o4' . 11 . c1' . 11 . c2' parsed_1me0 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.5 -17.5 . . 12 . c4' . 12 . o4' . 12 . c1' . 12 . c2' parsed_1me0 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 1 . o4' . 1 . c1' . 1 . c2' . 1 . c3' parsed_1me0 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 2 . o4' . 2 . c1' . 2 . c2' . 2 . c3' parsed_1me0 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 3 . o4' . 3 . c1' . 3 . c2' . 3 . c3' parsed_1me0 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 4 . o4' . 4 . c1' . 4 . c2' . 4 . c3' parsed_1me0 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.7 -10.7 . . 5 . o4' . 5 . c1' . 5 . c2' . 5 . c3' parsed_1me0 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 6 . o4' . 6 . c1' . 6 . c2' . 6 . c3' parsed_1me0 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 7 . o4' . 7 . c1' . 7 . c2' . 7 . c3' parsed_1me0 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.7 -10.7 . . 8 . o4' . 8 . c1' . 8 . c2' . 8 . c3' parsed_1me0 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 9 . o4' . 9 . c1' . 9 . c2' . 9 . c3' parsed_1me0 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 10 . o4' . 10 . c1' . 10 . c2' . 10 . c3' parsed_1me0 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 11 . o4' . 11 . c1' . 11 . c2' . 11 . c3' parsed_1me0 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26.8 46.8 . . 12 . o4' . 12 . c1' . 12 . c2' . 12 . c3' parsed_1me0 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 1 . c1' . 1 . c2' . 1 . c3' . 1 . c4' parsed_1me0 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 2 . c1' . 2 . c2' . 2 . c3' . 2 . c4' parsed_1me0 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 3 . c1' . 3 . c2' . 3 . c3' . 3 . c4' parsed_1me0 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 4 . c1' . 4 . c2' . 4 . c3' . 4 . c4' parsed_1me0 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.8 44.8 . . 5 . c1' . 5 . c2' . 5 . c3' . 5 . c4' parsed_1me0 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 6 . c1' . 6 . c2' . 6 . c3' . 6 . c4' parsed_1me0 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 7 . c1' . 7 . c2' . 7 . c3' . 7 . c4' parsed_1me0 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24.8 44.8 . . 8 . c1' . 8 . c2' . 8 . c3' . 8 . c4' parsed_1me0 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 9 . c1' . 9 . c2' . 9 . c3' . 9 . c4' parsed_1me0 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 10 . c1' . 10 . c2' . 10 . c3' . 10 . c4' parsed_1me0 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 11 . c1' . 11 . c2' . 11 . c3' . 11 . c4' parsed_1me0 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.0 -22.0 . . 12 . c1' . 12 . c2' . 12 . c3' . 12 . c4' parsed_1me0 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 1 . c2' . 1 . c3' . 1 . c4' . 1 . o4' parsed_1me0 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 2 . c2' . 2 . c3' . 2 . c4' . 2 . o4' parsed_1me0 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 3 . c2' . 3 . c3' . 3 . c4' . 3 . o4' parsed_1me0 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 4 . c2' . 4 . c3' . 4 . c4' . 4 . o4' parsed_1me0 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.6 -25.6 . . 5 . c2' . 5 . c3' . 5 . c4' . 5 . o4' parsed_1me0 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 6 . c2' . 6 . c3' . 6 . c4' . 6 . o4' parsed_1me0 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 7 . c2' . 7 . c3' . 7 . c4' . 7 . o4' parsed_1me0 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.6 -25.6 . . 8 . c2' . 8 . c3' . 8 . c4' . 8 . o4' parsed_1me0 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 9 . c2' . 9 . c3' . 9 . c4' . 9 . o4' parsed_1me0 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 10 . c2' . 10 . c3' . 10 . c4' . 10 . o4' parsed_1me0 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 11 . c2' . 11 . c3' . 11 . c4' . 11 . o4' parsed_1me0 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5.1 25.1 . . 12 . c2' . 12 . c3' . 12 . c4' . 12 . o4' parsed_1me0 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 1 . c3' . 1 . c4' . 1 . o4' . 1 . c1' parsed_1me0 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 2 . c3' . 2 . c4' . 2 . o4' . 2 . c1' parsed_1me0 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 3 . c3' . 3 . c4' . 3 . o4' . 3 . c1' parsed_1me0 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 4 . c3' . 4 . c4' . 4 . o4' . 4 . c1' parsed_1me0 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.8 32.8 . . 5 . c3' . 5 . c4' . 5 . o4' . 5 . c1' parsed_1me0 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 6 . c3' . 6 . c4' . 6 . o4' . 6 . c1' parsed_1me0 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 7 . c3' . 7 . c4' . 7 . o4' . 7 . c1' parsed_1me0 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12.8 32.8 . . 8 . c3' . 8 . c4' . 8 . o4' . 8 . c1' parsed_1me0 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 9 . c3' . 9 . c4' . 9 . o4' . 9 . c1' parsed_1me0 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 10 . c3' . 10 . c4' . 10 . o4' . 10 . c1' parsed_1me0 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 11 . c3' . 11 . c4' . 11 . o4' . 11 . c1' parsed_1me0 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.3 17.7 . . 12 . c3' . 12 . c4' . 12 . o4' . 12 . c1' parsed_1me0 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 ; constraints on sugar v0, v1, v2, v3 and v4 torsion angles Calculated from this formula: vj = vmax*cos(P+(j-2)*144), where j=0,1,2,3,4 and P is the pseudorotational angle and vmax=37 P are 150, 150, 150, 150, 20, 150, 150, 20, 150, 150, 150, 150 respectively v0 ; 3 1 8 4 parsed_1me0 1 2 v1 34 1 34 4 parsed_1me0 1 3 v2 60 1 60 4 parsed_1me0 1 4 v3 86 1 86 4 parsed_1me0 1 5 v4 112 1 112 4 parsed_1me0 1 6 ------------------------------------------------------------------------ 138 1 138 74 parsed_1me0 1 stop_ save_
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