NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
34811 | 1kka | 5256 | cing | 2-parsed | STAR | dihedral angle | 70 |
data_1kka_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1kka _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_1kka 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1kka _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 1kka "Master copy" parsed_1kka stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1kka _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 1kka.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kka 1 1 1kka.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 36 parsed_1kka 1 1 1kka.mr . . XPLOR/CNS 3 distance NOE simple 294 parsed_1kka 1 1 1kka.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 70 parsed_1kka 1 1 1kka.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kka 1 stop_ save_ save_CNS/XPLOR_dihedral_4 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1kka _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 4 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 1 . O3' ACSL 2 . P ACSL 2 . O5' ACSL 2 . C5' parsed_1kka 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 2 . O3' ACSL 3 . P ACSL 3 . O5' ACSL 3 . C5' parsed_1kka 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 3 . O3' ACSL 4 . P ACSL 4 . O5' ACSL 4 . C5' parsed_1kka 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 4 . O3' ACSL 5 . P ACSL 5 . O5' ACSL 5 . C5' parsed_1kka 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 5 . O3' ACSL 6 . P ACSL 6 . O5' ACSL 6 . C5' parsed_1kka 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 12 . O3' ACSL 13 . P ACSL 13 . O5' ACSL 13 . C5' parsed_1kka 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 13 . O3' ACSL 14 . P ACSL 14 . O5' ACSL 14 . C5' parsed_1kka 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 14 . O3' ACSL 15 . P ACSL 15 . O5' ACSL 15 . C5' parsed_1kka 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 15 . O3' ACSL 16 . P ACSL 16 . O5' ACSL 16 . C5' parsed_1kka 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 16 . O3' ACSL 17 . P ACSL 17 . O5' ACSL 17 . C5' parsed_1kka 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 1 . C3' ACSL 1 . O3' ACSL 2 . P ACSL 2 . O5' parsed_1kka 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 2 . C3' ACSL 2 . O3' ACSL 3 . P ACSL 3 . O5' parsed_1kka 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 3 . C3' ACSL 3 . O3' ACSL 4 . P ACSL 4 . O5' parsed_1kka 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 4 . C3' ACSL 4 . O3' ACSL 5 . P ACSL 5 . O5' parsed_1kka 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 5 . C3' ACSL 5 . O3' ACSL 6 . P ACSL 6 . O5' parsed_1kka 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 12 . C3' ACSL 12 . O3' ACSL 13 . P ACSL 13 . O5' parsed_1kka 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 13 . C3' ACSL 13 . O3' ACSL 14 . P ACSL 14 . O5' parsed_1kka 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 14 . C3' ACSL 14 . O3' ACSL 15 . P ACSL 15 . O5' parsed_1kka 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 15 . C3' ACSL 15 . O3' ACSL 16 . P ACSL 16 . O5' parsed_1kka 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 120.0 . ACSL 16 . C3' ACSL 16 . O3' ACSL 17 . P ACSL 17 . O5' parsed_1kka 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . ACSL 3 . P ACSL 3 . O5' ACSL 3 . C5' ACSL 3 . C4' parsed_1kka 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . ACSL 4 . P ACSL 4 . O5' ACSL 4 . C5' ACSL 4 . C4' parsed_1kka 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 140.0 220.0 . ACSL 5 . P ACSL 5 . O5' ACSL 5 . C5' ACSL 5 . C4' parsed_1kka 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . ACSL 8 . O5' ACSL 8 . C5' ACSL 8 . C4' ACSL 8 . C3' parsed_1kka 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 240.0 . ACSL 10 . O5' ACSL 10 . C5' ACSL 10 . C4' ACSL 10 . C3' parsed_1kka 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . ACSL 14 . O5' ACSL 14 . C5' ACSL 14 . C4' ACSL 14 . C3' parsed_1kka 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . ACSL 15 . O5' ACSL 15 . C5' ACSL 15 . C4' ACSL 15 . C3' parsed_1kka 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . ACSL 16 . O5' ACSL 16 . C5' ACSL 16 . C4' ACSL 16 . C3' parsed_1kka 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 1 . C4' ACSL 1 . C3' ACSL 1 . O3' ACSL 2 . P parsed_1kka 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 2 . C4' ACSL 2 . C3' ACSL 2 . O3' ACSL 3 . P parsed_1kka 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 3 . C4' ACSL 3 . C3' ACSL 3 . O3' ACSL 4 . P parsed_1kka 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 4 . C4' ACSL 4 . C3' ACSL 4 . O3' ACSL 5 . P parsed_1kka 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 5 . C4' ACSL 5 . C3' ACSL 5 . O3' ACSL 6 . P parsed_1kka 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 6 . C4' ACSL 6 . C3' ACSL 6 . O3' ACSL 7 . P parsed_1kka 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 7 . C4' ACSL 7 . C3' ACSL 7 . O3' ACSL 8 . P parsed_1kka 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 300.0 . ACSL 8 . C4' ACSL 8 . C3' ACSL 8 . O3' ACSL 9 . P parsed_1kka 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 220.0 300.0 . ACSL 9 . C4' ACSL 9 . C3' ACSL 9 . O3' ACSL 10 . P parsed_1kka 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 300.0 . ACSL 10 . C4' ACSL 10 . C3' ACSL 10 . O3' ACSL 11 . P parsed_1kka 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 11 . C4' ACSL 11 . C3' ACSL 11 . O3' ACSL 12 . P parsed_1kka 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 12 . C4' ACSL 12 . C3' ACSL 12 . O3' ACSL 13 . P parsed_1kka 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 13 . C4' ACSL 13 . C3' ACSL 13 . O3' ACSL 14 . P parsed_1kka 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 14 . C4' ACSL 14 . C3' ACSL 14 . O3' ACSL 15 . P parsed_1kka 1 43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 15 . C4' ACSL 15 . C3' ACSL 15 . O3' ACSL 16 . P parsed_1kka 1 44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 250.0 . ACSL 16 . C4' ACSL 16 . C3' ACSL 16 . O3' ACSL 17 . P parsed_1kka 1 45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 2 . C2' ACSL 2 . C1' ACSL 2 . O4' ACSL 2 . C4' parsed_1kka 1 46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 2 . O4' ACSL 2 . C4' ACSL 2 . C3' ACSL 2 . C2' parsed_1kka 1 47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 3 . C2' ACSL 3 . C1' ACSL 3 . O4' ACSL 3 . C4' parsed_1kka 1 48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 3 . O4' ACSL 3 . C4' ACSL 3 . C3' ACSL 3 . C2' parsed_1kka 1 49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 4 . C2' ACSL 4 . C1' ACSL 4 . O4' ACSL 4 . C4' parsed_1kka 1 50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 4 . O4' ACSL 4 . C4' ACSL 4 . C3' ACSL 4 . C2' parsed_1kka 1 51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 5 . C2' ACSL 5 . C1' ACSL 5 . O4' ACSL 5 . C4' parsed_1kka 1 52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 5 . O4' ACSL 5 . C4' ACSL 5 . C3' ACSL 5 . C2' parsed_1kka 1 53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 6 . C2' ACSL 6 . C1' ACSL 6 . O4' ACSL 6 . C4' parsed_1kka 1 54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 6 . O4' ACSL 6 . C4' ACSL 6 . C3' ACSL 6 . C2' parsed_1kka 1 55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 12 . C2' ACSL 12 . C1' ACSL 12 . O4' ACSL 12 . C4' parsed_1kka 1 56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 12 . O4' ACSL 12 . C4' ACSL 12 . C3' ACSL 12 . C2' parsed_1kka 1 57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 13 . C2' ACSL 13 . C1' ACSL 13 . O4' ACSL 13 . C4' parsed_1kka 1 58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 13 . O4' ACSL 13 . C4' ACSL 13 . C3' ACSL 13 . C2' parsed_1kka 1 59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 14 . C2' ACSL 14 . C1' ACSL 14 . O4' ACSL 14 . C4' parsed_1kka 1 60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 14 . O4' ACSL 14 . C4' ACSL 14 . C3' ACSL 14 . C2' parsed_1kka 1 61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 15 . C2' ACSL 15 . C1' ACSL 15 . O4' ACSL 15 . C4' parsed_1kka 1 62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 15 . O4' ACSL 15 . C4' ACSL 15 . C3' ACSL 15 . C2' parsed_1kka 1 63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 16 . C2' ACSL 16 . C1' ACSL 16 . O4' ACSL 16 . C4' parsed_1kka 1 64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 16 . O4' ACSL 16 . C4' ACSL 16 . C3' ACSL 16 . C2' parsed_1kka 1 65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2.4 4.4 . ACSL 17 . C2' ACSL 17 . C1' ACSL 17 . O4' ACSL 17 . C4' parsed_1kka 1 66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 321.5 326.5 . ACSL 17 . O4' ACSL 17 . C4' ACSL 17 . C3' ACSL 17 . C2' parsed_1kka 1 67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 353.5 358.5 . ACSL 8 . C2' ACSL 8 . C1' ACSL 8 . O4' ACSL 8 . C4' parsed_1kka 1 68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.0 34.0 . ACSL 8 . O4' ACSL 8 . C4' ACSL 8 . C3' ACSL 8 . C2' parsed_1kka 1 69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 353.5 358.5 . ACSL 9 . C2' ACSL 9 . C1' ACSL 9 . O4' ACSL 9 . C4' parsed_1kka 1 70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32.0 34.0 . ACSL 9 . O4' ACSL 9 . C4' ACSL 9 . C3' ACSL 9 . C2' parsed_1kka 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 ; backbone alpha + zeta constraints para A37 A9 G8 A10 U7 A11 U6 - A12 A5 - U13 G4 - C14 G3 - C15 G2 - C16 G1 - C17 5' 3' **************************************************************************** alpha **************************************************************************** note: since all P31 shifts cluster together, alpha and zeta are being constrained to exclude the trans conformation G1 (no constraint: no 5' phosphate in molecular model) G2 ; 1 1 29 3 parsed_1kka 1 2 G3 34 1 36 3 parsed_1kka 1 3 G4 41 1 43 3 parsed_1kka 1 4 A5 48 1 50 3 parsed_1kka 1 5 U6 55 1 57 3 parsed_1kka 1 6 U13 62 1 64 3 parsed_1kka 1 7 C14 69 1 71 3 parsed_1kka 1 8 C15 76 1 78 3 parsed_1kka 1 9 C16 83 1 85 3 parsed_1kka 1 10 C17 90 1 92 3 parsed_1kka 1 11 ; **************************************************************************** zeta **************************************************************************** note: since all P31 shifts cluster together, alpha and zeta are being constrained to within exclude the trans conformation G1 ; 97 1 108 3 parsed_1kka 1 12 G2 113 1 115 3 parsed_1kka 1 13 G3 120 1 122 3 parsed_1kka 1 14 G4 127 1 129 3 parsed_1kka 1 15 A5 134 1 136 3 parsed_1kka 1 16 A12 141 1 143 3 parsed_1kka 1 17 U13 149 1 150 3 parsed_1kka 1 18 C14 156 1 157 3 parsed_1kka 1 19 C15 162 1 164 3 parsed_1kka 1 20 C16 169 1 171 3 parsed_1kka 1 21 ; Beta torsion angle constraints G3 ; 176 1 178 4 parsed_1kka 1 22 G4 184 1 184 4 parsed_1kka 1 23 A5 190 1 190 4 parsed_1kka 1 24 ; Gamma torsion angle constraints A8 4/17/01 ; 195 1 197 13 parsed_1kka 1 25 "A10 4/17/01" 203 1 203 13 parsed_1kka 1 26 C14 209 1 209 5 parsed_1kka 1 27 "C15 4/17/01" 215 1 215 13 parsed_1kka 1 28 "C16 4/17/01" 221 1 221 13 parsed_1kka 1 29 ; Epsilon torsion angles trans o gauche- G1 trans ; 227 1 230 10 parsed_1kka 1 30 "G2 trans" 235 1 235 10 parsed_1kka 1 31 "G3 trans" 240 1 240 10 parsed_1kka 1 32 "G4 trans" 245 1 245 10 parsed_1kka 1 33 "A5 trans" 250 1 250 10 parsed_1kka 1 34 "U6 trans" 255 1 255 10 parsed_1kka 1 35 "U7 trans" 260 1 260 10 parsed_1kka 1 36 "G8 trans o gauche-" 265 1 265 20 parsed_1kka 1 37 "A9 gauche- SOLO 48ms LOWER DA <5Hz puesto 7/2/00" 270 1 270 50 parsed_1kka 1 38 "A10 trans? o gauche-" 275 1 275 23 parsed_1kka 1 39 "A11 trans" 280 1 280 11 parsed_1kka 1 40 "U12 trans" 285 1 285 11 parsed_1kka 1 41 "C13 trans" 290 1 290 11 parsed_1kka 1 42 "C14 trans" 295 1 295 11 parsed_1kka 1 43 "C15 trans" 300 1 300 11 parsed_1kka 1 44 "C16 trans" 305 1 305 11 parsed_1kka 1 45 ; Torsion angle constraints about delta and nu 0 to apply c3 or c2 prime endo sugar pucker Angles determined from model built A-form/B-form ribose 3'ENDO SUGAR CONSTRAINTS (for residues 1,2,3,4,5,6,12,13,14,15,16,17) ; 313 1 317 73 parsed_1kka 1 46 "2'ENDO SUGAR CONSTRAINTS (for residues 8,9)" 406 1 408 2 parsed_1kka 1 47 ; assign (segid ACSL and resid 10 and name C2') (segid ACSL and resid 10 and name C1') (segid ACSL and resid 10 and name O4') (segid ACSL and resid 10 and name C4') 20.0 356 2.5 2 assign (segid ACSL and resid 10 and name O4') (segid ACSL and resid 10 and name C4') (segid ACSL and resid 10 and name C3') (segid ACSL and resid 10 and name C2') 20.0 33 1.0 2 UNCONSTRAINED SUGAR PUCKER (residues 7,10,11) ; 425 1 435 2 parsed_1kka 1 stop_ save_
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