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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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620332 |
5ug3 ![]() ![]() |
30225 | cing | 2-parsed | STAR | dihedral angle | 22 |
data_5ug3_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5ug3 _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_5ug3 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5ug3 _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 5ug3 "Master copy" parsed_5ug3 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5ug3 _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 5ug3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5ug3 1 1 5ug3.mr . . XPLOR/CNS 2 distance NOE simple 537 parsed_5ug3 1 1 5ug3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 22 parsed_5ug3 1 1 5ug3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5ug3 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_5ug3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.3 -27.9 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5ug3 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.9 24.7 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5ug3 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.2 -50.2 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5ug3 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -8.4 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5ug3 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.3 -44.9 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5ug3 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.1 9.1 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5ug3 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.7 -64.7 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5ug3 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.1 33.9 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5ug3 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.8 -45.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_5ug3 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66.3 158.7 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_5ug3 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -34.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5ug3 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.8 -13.8 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5ug3 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5ug3 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.9 -21.9 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5ug3 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.6 -46.6 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5ug3 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.2 -20.2 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5ug3 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.9 -41.9 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5ug3 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.9 -18.9 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5ug3 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.9 -46.9 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5ug3 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.7 -6.7 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5ug3 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.1 -63.9 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5ug3 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.7 31.7 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5ug3 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 "error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree." 2 3 2 153 parsed_5ug3 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 3: d5talos.tbl # REMARK error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree. ; 1 1 2 1 parsed_5ug3 1 stop_ save_
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