NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
646197 | 6okx | 30599 | cing | 2-parsed | STAR | dihedral angle | 62 |
data_6okx_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6okx _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_6okx 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6okx _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 6okx "Master copy" parsed_6okx stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6okx _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 6okx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6okx 1 1 6okx.mr . . XPLOR/CNS 2 distance NOE simple 237 parsed_6okx 1 1 6okx.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_6okx 1 1 6okx.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6okx 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6okx _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.0 -41.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6okx 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.2 -13.2 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6okx 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.4 -47.4 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6okx 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -18.2 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6okx 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -48.7 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6okx 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6okx 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6okx 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 -18.7 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6okx 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6okx 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6okx 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6okx 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 -18.8 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6okx 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6okx 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6okx 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.1 -49.1 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6okx 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.1 -16.1 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6okx 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6okx 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.6 -16.6 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6okx 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.3 -48.3 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6okx 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 -18.8 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6okx 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6okx 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6okx 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6okx 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.6 -18.6 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6okx 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -47.6 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6okx 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.5 -17.5 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6okx 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6okx 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.2 -19.2 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6okx 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6okx 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6okx 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_6okx 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_6okx 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.1 -47.1 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_6okx 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.9 -19.9 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_6okx 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6okx 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 -18.8 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6okx 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6okx 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.1 -19.1 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6okx 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -49.0 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6okx 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -15.5 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6okx 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6okx 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.2 -18.2 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6okx 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -48.1 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_6okx 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_6okx 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.2 -48.2 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_6okx 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.4 -16.4 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_6okx 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.5 -47.5 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_6okx 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.7 -18.7 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_6okx 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.3 -46.3 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_6okx 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.7 -16.7 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_6okx 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_6okx 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 -18.8 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_6okx 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -48.1 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_6okx 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.8 -16.8 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_6okx 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.2 -46.2 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_6okx 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.4 -18.4 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_6okx 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.7 -45.7 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_6okx 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.7 -16.7 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_6okx 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 -48.4 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_6okx 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.9 -11.9 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_6okx 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.7 -50.7 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_6okx 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -45.3 -5.3 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_6okx 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_6okx 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. ; 130 1 132 72 parsed_6okx 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 2: VEK50RH1_talos_deposit.txt" 1 1 1 47 parsed_6okx 1 stop_ save_
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