NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
615999 | 5vav | 30274 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_5vav_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5vav _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_5vav 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5vav _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 5vav "Master copy" parsed_5vav stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5vav _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 5vav.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5vav 1 1 5vav.mr . . DYANA/DIANA 2 distance NOE simple 74 parsed_5vav 1 1 5vav.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_5vav 1 1 5vav.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5vav 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_5vav _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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -46.7 . . 2 ARG . . . . . . . . . . . . . parsed_5vav 1 2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 123.4 167.1 . . 2 ARG . . . . . . . . . . . . . parsed_5vav 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.5 -116.5 . . 3 CYS . . . . . . . . . . . . . parsed_5vav 1 4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.8 171.8 . . 3 CYS . . . . . . . . . . . . . parsed_5vav 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -46.2 . . 7 TRP . . . . . . . . . . . . . parsed_5vav 1 6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 111.4 162.6 . . 7 TRP . . . . . . . . . . . . . parsed_5vav 1 7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.8 173.3 . . 8 PRO . . . . . . . . . . . . . parsed_5vav 1 8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.3 -51.0 . . 10 ILE . . . . . . . . . . . . . parsed_5vav 1 9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.4 160.9 . . 10 ILE . . . . . . . . . . . . . parsed_5vav 1 10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 CYS . . . . . . . . . . . . . parsed_5vav 1 11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.9 170.9 . . 11 CYS . . . . . . . . . . . . . parsed_5vav 1 12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.5 -39.6 . . 12 PHE . . . . . . . . . . . . . parsed_5vav 1 13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.6 187.7 . . 12 PHE . . . . . . . . . . . . . parsed_5vav 1 14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.9 -9.9 . . 13 PRO . . . . . . . . . . . . . parsed_5vav 1 15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 5 GLN . . . . . . . . . . . . . parsed_5vav 1 16 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 4 THR . . . . . . . . . . . . . parsed_5vav 1 17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -90 . . 6 ALA . . . . . . . . . . . . . parsed_5vav 1 18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -20 . . 14 ASP . . . . . . . . . . . . . parsed_5vav 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 2: cmc12talos2.aco" 1 1 1 36 parsed_5vav 1 2 "Phi/Psi Angles From 'Strong' TALOS-N Predictions:" 3 1 3 52 parsed_5vav 1 3 "error margins are set to conservative default values of double the" 4 1 4 72 parsed_5vav 1 4 "standard deviation observed in TALOS-N capped at a minimum of +/-20 degree." 5 1 5 80 parsed_5vav 1 5 "Phi/Psi Angles From 'Generous' TALOS-N Predictions:" 25 1 25 54 parsed_5vav 1 6 "error margins are set to default values of triple the standard" 26 1 26 67 parsed_5vav 1 7 "deviation observed in TALOS-N capped at a minimum of +/-30 degree." 27 1 27 71 parsed_5vav 1 stop_ save_
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