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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
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653832 |
6uz4 ![]() ![]() |
30686 | cing | 2-parsed | STAR | dihedral angle | 46 |
data_6uz4_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6uz4 _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_6uz4 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6uz4 _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 6uz4 "Master copy" parsed_6uz4 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6uz4 _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 6uz4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6uz4 1 1 6uz4.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 48 parsed_6uz4 1 1 6uz4.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 46 parsed_6uz4 1 1 6uz4.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_6uz4 1 1 6uz4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6uz4 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6uz4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.7 -48.7 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6uz4 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.8 -15.8 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6uz4 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6uz4 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.3 -14.3 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6uz4 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6uz4 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.3 -21.3 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6uz4 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6uz4 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6uz4 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.6 -45.6 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6uz4 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6uz4 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.1 -46.1 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6uz4 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.1 -20.1 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6uz4 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.2 -45.2 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6uz4 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.9 -20.9 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6uz4 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6uz4 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6uz4 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6uz4 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.5 -15.5 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6uz4 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.5 -45.5 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_6uz4 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 -18.8 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_6uz4 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_6uz4 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -19.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_6uz4 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_6uz4 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.5 -19.5 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_6uz4 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.8 -45.8 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_6uz4 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_6uz4 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_6uz4 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.3 -17.3 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_6uz4 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_6uz4 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.7 -22.7 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_6uz4 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_6uz4 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -16.5 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_6uz4 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.4 -46.4 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_6uz4 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.1 -21.1 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_6uz4 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -47.7 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_6uz4 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.2 -17.2 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_6uz4 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.4 -45.4 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_6uz4 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.5 -21.5 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_6uz4 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -43.8 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_6uz4 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.5 -18.5 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_6uz4 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 -48.4 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_6uz4 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.7 -19.7 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_6uz4 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -47.7 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_6uz4 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.3 -19.3 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_6uz4 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.6 -49.6 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_6uz4 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.7 -13.7 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_6uz4 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. assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -68.6 20.0 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 -38.1 20.0 2 ; 2 1 8 87 parsed_6uz4 1 2 ; assign (resid 13 and name C ) (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) 1.0 -74.1 22.8 2 assign (resid 14 and name N ) (resid 14 and name CA ) (resid 14 and name C ) (resid 15 and name N ) 1.0 -34.9 24.0 2 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) 1.0 -68.2 20.0 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 -35.4 20.0 2 ; 17 1 24 87 parsed_6uz4 1 3 ; assign (resid 22 and name C ) (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) 1.0 -68.6 20.0 2 assign (resid 23 and name N ) (resid 23 and name CA ) (resid 23 and name C ) (resid 24 and name N ) 1.0 -35.8 20.0 2 assign (resid 23 and name C ) (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) 1.0 -70.2 20.0 2 assign (resid 24 and name N ) (resid 24 and name CA ) (resid 24 and name C ) (resid 25 and name N ) 1.0 -34.7 20.0 2 assign (resid 24 and name C ) (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) 1.0 -72.4 20.0 2 assign (resid 25 and name N ) (resid 25 and name CA ) (resid 25 and name C ) (resid 26 and name N ) 1.0 -33.5 20.0 2 ; 53 1 64 87 parsed_6uz4 1 4 ; assign (resid 29 and name C ) (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) 1.0 -85.2 39.5 2 assign (resid 30 and name N ) (resid 30 and name CA ) (resid 30 and name C ) (resid 31 and name N ) 1.0 -14.3 50.7 2 ; 81 1 84 87 parsed_6uz4 1 5 ; assign (resid 35 and name C ) (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) 1.0 -66.9 20.0 2 assign (resid 36 and name N ) (resid 36 and name CA ) (resid 36 and name C ) (resid 37 and name N ) 1.0 -36.1 20.0 2 assign (resid 36 and name C ) (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) 1.0 -69.3 20.0 2 assign (resid 37 and name N ) (resid 37 and name CA ) (resid 37 and name C ) (resid 38 and name N ) 1.0 -37.0 20.0 2 ; 105 1 112 87 parsed_6uz4 1 6 ; assign (resid 51 and name C ) (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) 1.0 -64.1 20.0 2 assign (resid 52 and name N ) (resid 52 and name CA ) (resid 52 and name C ) (resid 53 and name N ) 1.0 134.9 20.0 2 assign (resid 52 and name C ) (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) 1.0 87.2 20.0 2 assign (resid 53 and name N ) (resid 53 and name CA ) (resid 53 and name C ) (resid 54 and name N ) 1.0 -3.5 20.0 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. ; 133 1 144 72 parsed_6uz4 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: AGL55DL_K2_TALOS.tbl" 1 1 1 41 parsed_6uz4 1 stop_ save_
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