NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
31886 | 1f6x | cing | 2-parsed | STAR | dihedral angle | 13 |
data_1f6x_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1f6x _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_1f6x 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1f6x _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 1f6x "Master copy" parsed_1f6x stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1f6x _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 1f6x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 48 parsed_1f6x 1 1 1f6x.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 4 distance NOE simple 261 parsed_1f6x 1 1 1f6x.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 21 parsed_1f6x 1 1 1f6x.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 108 parsed_1f6x 1 1 1f6x.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 11 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 13 parsed_1f6x 1 1 1f6x.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1f6x 1 1 1f6x.mr . . "MR format" 16 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1f6x 1 stop_ save_ save_CNS/XPLOR_dihedral_11 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1f6x _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 11 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 7 . o4' . 7 . c1' . 7 . n1 . 7 . c2 parsed_1f6x 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 8 . o4' . 8 . c1' . 8 . n1 . 8 . c2 parsed_1f6x 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 11 . o4' . 11 . c1' . 11 . n1 . 11 . c2 parsed_1f6x 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 12 . o4' . 12 . c1' . 12 . n1 . 12 . c2 parsed_1f6x 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 13 . o4' . 13 . c1' . 13 . n1 . 13 . c2 parsed_1f6x 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 19 . o4' . 19 . c1' . 19 . n1 . 19 . c2 parsed_1f6x 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 20 . o4' . 20 . c1' . 20 . n1 . 20 . c2 parsed_1f6x 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 23 . o4' . 23 . c1' . 23 . n1 . 23 . c2 parsed_1f6x 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 24 . o4' . 24 . c1' . 24 . n1 . 24 . c2 parsed_1f6x 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 25 . o4' . 25 . c1' . 25 . n1 . 25 . c2 parsed_1f6x 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 26 . o4' . 26 . c1' . 26 . n1 . 26 . c2 parsed_1f6x 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180 -40 . . 27 . o4' . 27 . c1' . 27 . n1 . 27 . c2 parsed_1f6x 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 140 . . 16 . o4' . 16 . c1' . 16 . n9 . 16 . c4 parsed_1f6x 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 "restrain some nucleotides to keep pyrimidine bases anti" 1 1 1 1 parsed_1f6x 1 2 "loop nucleotides UC in U(UC)G not constrained" 18 2 18 2 parsed_1f6x 1 3 "constrain G16 to syn based on strong H8H1' cross peak" 41 2 41 2 parsed_1f6x 1 4 "phosphate backbone torsion angle constraints" 47 2 47 2 parsed_1f6x 1 5 "these constraints were used only during the refinement stage" 48 2 48 2 parsed_1f6x 1 6 "torsions beta through epsilon are used in a first high temperature" 49 2 49 2 parsed_1f6x 1 7 "dynamics stage, torsions alpha and zeta are added in for a second" 50 2 50 2 parsed_1f6x 1 8 "high temperature dynamics stage and final cooling" 51 2 51 2 parsed_1f6x 1 stop_ save_
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