NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
652929 | 6jpd | cing | 2-parsed | STAR | dihedral angle | 37 |
data_6jpd_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6jpd _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_6jpd 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6jpd _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 6jpd "Master copy" parsed_6jpd stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6jpd _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 6jpd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6jpd 1 1 6jpd.mr . . XPLOR/CNS 2 distance NOE simple 88 parsed_6jpd 1 1 6jpd.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 12 parsed_6jpd 1 1 6jpd.mr . . XPLOR/CNS 4 distance NOE simple 10 parsed_6jpd 1 1 6jpd.mr . . XPLOR/CNS 5 distance NOE ambi 31 parsed_6jpd 1 1 6jpd.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 37 parsed_6jpd 1 1 6jpd.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6jpd 1 stop_ save_ save_CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6jpd _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.4 -71.4 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6jpd 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.8 164.8 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6jpd 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.7 -7.3 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6jpd 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.5 176.7 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6jpd 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.0 -41.8 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6jpd 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -188.6 -48.2 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6jpd 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.9 198.9 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6jpd 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21.4 91.4 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6jpd 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6.7 76.7 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6jpd 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.7 -94.1 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6jpd 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.3 180.9 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6jpd 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -163.0 -69.4 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6jpd 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.6 176.6 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6jpd 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -78.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6jpd 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 89.5 159.5 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6jpd 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.6 221.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6jpd 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -177.0 -26.8 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6jpd 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.2 192.2 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6jpd 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28.6 98.6 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6jpd 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.6 67.6 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6jpd 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.2 -41.2 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6jpd 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.8 -60.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6jpd 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74.8 181.2 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6jpd 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.8 -60.8 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6jpd 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.6 164.6 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6jpd 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 86.0 182.8 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6jpd 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.2 -23.4 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6jpd 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.6 194.2 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6jpd 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.4 -26.4 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6jpd 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.4 182.4 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6jpd 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.4 -29.4 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6jpd 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.1 186.1 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6jpd 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.7 -51.5 . . 10 . n . 10 . ca . 10 . cb . 10 . cg1 parsed_6jpd 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.2 -40.6 . . 13 . n . 13 . ca . 13 . cb . 13 . cg parsed_6jpd 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.2 -57.6 . . 14 . n . 14 . ca . 14 . cb . 14 . cg parsed_6jpd 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 169.9 185.9 . . 16 . n . 16 . ca . 16 . cb . 16 . cg parsed_6jpd 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -194.6 -160.6 . . 17 . n . 17 . ca . 17 . cb . 17 . cg1 parsed_6jpd 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 (from CDIH4.tbl) and Chi: error margins are set to conservative default values of double the standard deviation observed in TALOS-N capped at a minimum of +/-20 degree. removed values not consistent with TALOS+ more than +/- 20 degree. add 15 degree error for the rest. remove ones with error bigger than 100 ; 1 1 4 142 parsed_6jpd 1 2 ; !chi !10 ; 77 1 79 7 parsed_6jpd 1 3 !13 82 3 82 7 parsed_6jpd 1 4 !14 85 3 85 7 parsed_6jpd 1 5 !16 89 3 89 7 parsed_6jpd 1 6 !17 92 3 92 7 parsed_6jpd 1 stop_ save_
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