NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
617923 | 5tbq | 30178 | cing | 2-parsed | STAR | dihedral angle | 32 |
data_5tbq_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5tbq _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_5tbq 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5tbq _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 5tbq "Master copy" parsed_5tbq stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5tbq _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 5tbq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5tbq 1 1 5tbq.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 32 parsed_5tbq 1 1 5tbq.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_5tbq 1 1 5tbq.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5tbq 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_5tbq _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.4 -39.4 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5tbq 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.7 -15.7 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5tbq 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5tbq 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 -17.7 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5tbq 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.5 -48.5 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5tbq 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.4 -19.4 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5tbq 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5tbq 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -20.7 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5tbq 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5tbq 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -19.7 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5tbq 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5tbq 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5tbq 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -48.1 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5tbq 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.9 -17.9 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5tbq 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5tbq 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5tbq 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -47.5 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5tbq 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -18.3 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5tbq 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5tbq 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.2 -23.2 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5tbq 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.3 -45.3 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5tbq 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -17.4 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5tbq 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5tbq 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.4 -22.4 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5tbq 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.2 -48.2 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5tbq 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5tbq 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.5 -46.5 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5tbq 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5tbq 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -47.4 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5tbq 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -8.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5tbq 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.5 -56.5 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5tbq 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.9 2.1 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5tbq 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 ; Phi/Psi Angles From 'Strong' TALOS-N Predictions: error margins are set to conservative default values of double the standard deviation observed in TALOS-N capped at a minimum of +/-20 degree. ; 2 1 4 81 parsed_5tbq 1 2 ; Phi/Psi Angles From 'Generous' TALOS-N Predictions: error margins are set to default values of triple the standard deviation observed in TALOS-N capped at a minimum of +/-20 degree. ; 70 1 72 72 parsed_5tbq 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 "# Restraints file 1: conrlbka_talos.tab" 1 1 1 39 parsed_5tbq 1 stop_ save_
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