NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
642869 | 6fy6 | 34244 | cing | 2-parsed | STAR | dihedral angle | 8 |
data_6fy6_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6fy6 _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_6fy6 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6fy6 _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 6fy6 "Master copy" parsed_6fy6 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6fy6 _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 6fy6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6fy6 1 1 6fy6.mr . . XPLOR/CNS 2 distance NOE simple 646 parsed_6fy6 1 1 6fy6.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_6fy6 1 1 6fy6.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6fy6 1 1 6fy6.mr . . XPLOR/CNS 5 planarity "Not applicable" "Not applicable" 0 parsed_6fy6 1 1 6fy6.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6fy6 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6fy6 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . $b . O3' . $1 . P . $1 . O5' . $1 . C5' parsed_6fy6 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 160.0 200.0 . . $1 . P . $1 . O5' . $1 . C5' . $1 . C4' parsed_6fy6 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 40.0 80.0 . . $1 . O5' . $1 . C5' . $1 . C4' . $1 . C3' parsed_6fy6 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.0 165.0 . . $1 . c5' . $1 . c4' . $1 . c3' . $1 . o3' parsed_6fy6 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -190.0 -150.0 . . $1 . c4' . $1 . c3' . $1 . o3' . $a . P parsed_6fy6 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -65.0 . . $1 . C3' . $1 . O3' . $a . P . $a . O5' parsed_6fy6 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.0 -100.0 . . $1 . O4' . $1 . C1' . $1 . N9 . $1 . C4 parsed_6fy6 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.00 -100.00 . . $1 . O4' . $1 . C1' . $1 . N1 . $1 . C2 parsed_6fy6 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 --------------------------------------------------------------------------------- 1 1 1 83 parsed_6fy6 1 2 "angles_for sugar puckering" 3 1 3 1 parsed_6fy6 1 3 ====> 10 1 10 1 parsed_6fy6 1 4 "* Select nucleotides to be restrained. *" 10 36 10 36 parsed_6fy6 1 5 "* alpha *" 22 65 22 65 parsed_6fy6 1 6 "* beta *" 27 65 27 65 parsed_6fy6 1 7 "* gamma *" 32 65 32 65 parsed_6fy6 1 8 "* delta *" 37 65 37 65 parsed_6fy6 1 9 "* epsilon *" 42 65 42 65 parsed_6fy6 1 10 "* zeta *" 47 65 47 65 parsed_6fy6 1 11 ====> 56 1 56 1 parsed_6fy6 1 12 "* Select purines to be restrained. *" 56 36 56 36 parsed_6fy6 1 13 "* chi *" 64 64 64 64 parsed_6fy6 1 14 ====> 71 1 71 1 parsed_6fy6 1 15 "* Select pyrimidines to be restrained. *" 71 36 71 36 parsed_6fy6 1 16 "* chi *" 79 65 79 65 parsed_6fy6 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 dihedral nassign=1000 for $1 in ( {====>} {* Select nucleotides to be restrained. *} 1 2 3 5 6 7 8 9 10 12 13 14 15 16 17 19 20 21 22 23 24 26 27 28 ) loop dihe evaluate($a=$1+1) evaluate($b=$1-1) ; 5 1 16 29 parsed_6fy6 1 2 ; end loop dihe for $1 in ( {====>} {* Select purines to be restrained. *} 2 7 9 10 12 14 16 21 23 24 26 28 ) loop dihe ; 50 2 59 23 parsed_6fy6 1 3 ; end loop dihe for $1 in ( {====>} {* Select pyrimidines to be restrained. *} 1 3 5 6 8 13 15 17 19 20 22 27 ) loop dihe ; 66 1 74 23 parsed_6fy6 1 4 "end loop dihe" 81 1 81 13 parsed_6fy6 1 stop_ save_
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