NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
630918 | 6aza | 30342 | cing | 2-parsed | STAR | dihedral angle | 23 |
data_6aza_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6aza _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_6aza 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6aza _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 6aza "Master copy" parsed_6aza stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6aza _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 6aza.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6aza 1 1 6aza.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 150 parsed_6aza 1 1 6aza.mr . . DYANA/DIANA 3 distance NOE simple 66 parsed_6aza 1 1 6aza.mr . . DYANA/DIANA 4 distance "general distance" simple 12 parsed_6aza 1 1 6aza.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_6aza 1 1 6aza.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6aza 1 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6aza _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.8 -45.3 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.5 166.0 . . 3 LYS . . . . . . . . . . . . . parsed_6aza 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.4 -42.4 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.7 156.7 . . 4 THR . . . . . . . . . . . . . parsed_6aza 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -173.1 -43.4 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.8 174.9 . . 5 CYSS . . . . . . . . . . . . . parsed_6aza 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.0 108.0 . . 8 GLY . . . . . . . . . . . . . parsed_6aza 1 8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -26.4 13.6 . . 8 GLY . . . . . . . . . . . . . parsed_6aza 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.4 -56.7 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1 10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.8 152.8 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 1 11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.9 -41.5 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1 12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.0 160.9 . . 10 CYSS . . . . . . . . . . . . . parsed_6aza 1 13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.8 -47.4 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1 14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 107.0 175.4 . . 11 ARG . . . . . . . . . . . . . parsed_6aza 1 15 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.9 165.9 . . 12 PRO . . . . . . . . . . . . . parsed_6aza 1 16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -42.8 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1 17 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.8 156.8 . . 13 LYS . . . . . . . . . . . . . parsed_6aza 1 18 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.9 -1.9 . . 14 PRO . . . . . . . . . . . . . parsed_6aza 1 19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.8 -65.8 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1 20 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.4 12.6 . . 15 ASN . . . . . . . . . . . . . parsed_6aza 1 21 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.4 -42.1 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1 22 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.3 170.3 . . 6 SER . . . . . . . . . . . . . parsed_6aza 1 23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 9 ARG . . . . . . . . . . . . . parsed_6aza 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 "Restraints file 5: ate.aco" 1 1 1 28 parsed_6aza 1 2 "REMARK error margins are set to conservative default values of double the standard deviation" 2 1 2 96 parsed_6aza 1 3 "observed in TALOS-N capped at a minimum of +/-20 degree." 3 1 3 66 parsed_6aza 1 4 "Phi/Psi Angles From 'Strong' Predictions" 5 1 5 43 parsed_6aza 1 5 "Phi/Psi Angles From 'Generous' Predictions" 27 1 27 45 parsed_6aza 1 6 "Chi1 angle" 31 1 31 11 parsed_6aza 1 stop_ save_
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