NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
31953 | 1f79 | cing | 2-parsed | STAR | dihedral angle | 20 |
data_1f79_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1f79 _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_1f79 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1f79 _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 1f79 "Master copy" parsed_1f79 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1f79 _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 1f79.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 49 parsed_1f79 1 1 1f79.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 4 distance NOE simple 280 parsed_1f79 1 1 1f79.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1f79 1 1 1f79.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 108 parsed_1f79 1 1 1f79.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 24 parsed_1f79 1 1 1f79.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1f79 1 1 1f79.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 14 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1f79 1 1 1f79.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 16 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1f79 1 1 1f79.mr . . n/a 17 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 18 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_1f79 1 1 1f79.mr . . n/a 19 comment "Not applicable" "Not applicable" 0 parsed_1f79 1 1 1f79.mr . . XPLOR/CNS 20 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_1f79 1 1 1f79.mr . . "MR format" 21 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1f79 1 stop_ save_ save_CNS/XPLOR_dihedral_20 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1f79 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 20 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 1 . c3' . 1 . o3' . 2 . p . 2 . o5' parsed_1f79 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 2 . c3' . 2 . o3' . 3 . p . 3 . o5' parsed_1f79 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 3 . c3' . 3 . o3' . 4 . p . 4 . o5' parsed_1f79 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 4 . c3' . 4 . o3' . 5 . p . 5 . o5' parsed_1f79 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 5 . c3' . 5 . o3' . 6 . p . 6 . o5' parsed_1f79 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 8 . c3' . 8 . o3' . 9 . p . 9 . o5' parsed_1f79 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 9 . c3' . 9 . o3' . 10 . p . 10 . o5' parsed_1f79 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 10 . c3' . 10 . o3' . 11 . p . 11 . o5' parsed_1f79 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 11 . c3' . 11 . o3' . 12 . p . 12 . o5' parsed_1f79 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 12 . c3' . 12 . o3' . 13 . p . 13 . o5' parsed_1f79 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 13 . c3' . 13 . o3' . 14 . p . 14 . o5' parsed_1f79 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 17 . c3' . 17 . o3' . 18 . p . 18 . o5' parsed_1f79 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 18 . c3' . 18 . o3' . 19 . p . 19 . o5' parsed_1f79 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 19 . c3' . 19 . o3' . 20 . p . 20 . o5' parsed_1f79 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 20 . c3' . 20 . o3' . 21 . p . 21 . o5' parsed_1f79 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 22 . c3' . 22 . o3' . 23 . p . 23 . o5' parsed_1f79 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 23 . c3' . 23 . o3' . 24 . p . 24 . o5' parsed_1f79 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 24 . c3' . 24 . o3' . 25 . p . 25 . o5' parsed_1f79 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 25 . c3' . 25 . o3' . 26 . p . 26 . o5' parsed_1f79 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -40 . . 26 . c3' . 26 . o3' . 27 . p . 27 . o5' parsed_1f79 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 "U6-C8: around bulge, not constrained" 12 2 12 2 parsed_1f79 1 2 "UUCG: taken from literature" 23 2 23 2 parsed_1f79 1 3 "don't constrain U14, C15: strong 3JPH4'/H5'/H5'', irregular CS" 28 9 28 9 parsed_1f79 1 4 "UUCG: end" 29 2 29 2 parsed_1f79 1 5 "don't constrain U16 either; funny shift and strong 3JP/H5'/H5''" 31 2 31 2 parsed_1f79 1 6 "G21-p-G22: continuous strand of bulge, not constrained" 42 2 42 2 parsed_1f79 1 7 "end of zeta restraints, 19 total" 55 1 55 1 parsed_1f79 1 8 "end of backbone constraints" 57 2 57 2 parsed_1f79 1 9 "20 beta 18 gamma 18 epsilon 18 alpha 19 zeta, 93 total" 58 2 58 2 parsed_1f79 1 10 "end of dihedal restraints" 60 2 60 2 parsed_1f79 1 11 "20 amino 27 pucker 23 glycosidic 93 backbone, 163 total" 61 2 61 2 parsed_1f79 1 12 "end of combined NOE distance/dihedral constraints P4 C7>U mutant" 63 2 63 2 parsed_1f79 1 stop_ save_
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