NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
630419 | 6coo | 30427 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_6coo_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6coo _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_6coo 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6coo _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 6coo "Master copy" parsed_6coo stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6coo _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 6coo.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6coo 1 1 6coo.mr . . XPLOR/CNS 2 distance NOE ambi 651 parsed_6coo 1 1 6coo.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_6coo 1 1 6coo.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6coo 1 1 6coo.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6coo 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6coo _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6coo 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.6 -17.6 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6coo 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.5 -44.5 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6coo 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.8 -17.8 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6coo 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.1 -47.1 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6coo 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6coo 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.1 -45.1 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6coo 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.9 -24.9 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6coo 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6coo 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.5 -18.5 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6coo 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.5 -42.5 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6coo 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.5 -21.5 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6coo 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -45.2 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6coo 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.3 -18.3 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6coo 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6coo 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6coo 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6coo 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6coo 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -45.2 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6coo 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6coo 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.5 -49.5 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6coo 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8 -9.8 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6coo 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -65.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6coo 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.3 11.9 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6coo 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.7 -39.7 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6coo 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.5 170.9 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6coo 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . CG parsed_6coo 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . CG parsed_6coo 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_6coo 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_6coo 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_6coo 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_6coo 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_6coo 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_6coo 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_6coo 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG parsed_6coo 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_6coo 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. ; 54 1 56 72 parsed_6coo 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: CSP1E1A_phi_psi_dihe.tbl" 1 1 1 45 parsed_6coo 1 stop_ save_
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