Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
640097 | 6rrl RC | 34401 | cing | 2-parsed | STAR | dihedral angle | 16 |
data_6rrl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6rrl
_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_6rrl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6rrl
_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 6rrl "Master copy" parsed_6rrl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6rrl
_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 6rrl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6rrl 1
1 6rrl.mr . . DYANA/DIANA 2 distance NOE simple 236 parsed_6rrl 1
1 6rrl.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_6rrl 1
1 6rrl.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6rrl 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6rrl
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.6 -67.6 . . 2 ARG . . . . . . . . . . . . . parsed_6rrl 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62.5 145.4 . . 2 ARG . . . . . . . . . . . . . parsed_6rrl 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.7 -34.7 . . 3 ILE . . . . . . . . . . . . . parsed_6rrl 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.8 -2.8 . . 3 ILE . . . . . . . . . . . . . parsed_6rrl 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 4 MET . . . . . . . . . . . . . parsed_6rrl 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.8 -13.8 . . 4 MET . . . . . . . . . . . . . parsed_6rrl 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.5 -49.5 . . 5 ARG . . . . . . . . . . . . . parsed_6rrl 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 -14.8 . . 5 ARG . . . . . . . . . . . . . parsed_6rrl 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.7 -47.7 . . 6 ILE . . . . . . . . . . . . . parsed_6rrl 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.8 -19.8 . . 6 ILE . . . . . . . . . . . . . parsed_6rrl 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.6 -47.6 . . 7 LEU . . . . . . . . . . . . . parsed_6rrl 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -16.9 . . 7 LEU . . . . . . . . . . . . . parsed_6rrl 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.7 -46.7 . . 8 ARG . . . . . . . . . . . . . parsed_6rrl 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.7 -9.7 . . 8 ARG . . . . . . . . . . . . . parsed_6rrl 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.8 -57.8 . . 9 VAL . . . . . . . . . . . . . parsed_6rrl 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.1 2.4 . . 9 VAL . . . . . . . . . . . . . parsed_6rrl 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 "Restraints file 5: talos.aco" 1 1 1 30 parsed_6rrl 1
2 "2 R -87.618 103.933 9.144 20.730 1.264 0.664 25 11 Strong" 3 1 3 72 parsed_6rrl 1
3 "3 I -64.684 -32.807 5.580 7.189 0.934 0.691 10 12 Generous" 7 1 7 74 parsed_6rrl 1
4 "4 M -66.978 -33.761 5.133 5.561 0.721 0.713 25 12 Strong" 11 1 11 72 parsed_6rrl 1
5 "5 R -69.529 -34.811 4.592 5.566 0.503 0.750 25 12 Strong" 15 1 15 72 parsed_6rrl 1
6 "6 I -67.703 -39.752 4.462 5.933 0.392 0.768 25 12 Strong" 19 1 19 72 parsed_6rrl 1
7 "7 L -67.629 -36.900 4.253 5.201 0.398 0.765 25 12 Strong" 23 1 23 72 parsed_6rrl 1
8 "8 R -66.735 -29.669 4.933 8.255 0.403 0.729 25 12 Strong" 27 1 27 72 parsed_6rrl 1
9 "9 V -77.783 -19.303 7.788 10.874 0.531 0.699 25 12 Strong" 31 1 31 72 parsed_6rrl 1
10 "11 K -84.020 103.107 9.815 20.688 1.100 0.633 25 12 Strong" 35 1 35 72 parsed_6rrl 1
11 "11 LYS PHI -104.0 -64.0" 36 1 36 34 parsed_6rrl 1
12 "11 LYS PSI 61.7 144.5" 37 1 37 34 parsed_6rrl 1
stop_
save_