Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
652756 | 6x8r RC | 30758 | cing | 2-parsed | STAR | dihedral angle | 28 |
data_6x8r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6x8r
_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_6x8r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6x8r
_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 6x8r "Master copy" parsed_6x8r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6x8r
_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 6x8r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6x8r 1
1 6x8r.mr . . XPLOR/CNS 2 distance NOE simple 166 parsed_6x8r 1
1 6x8r.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 28 parsed_6x8r 1
1 6x8r.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 0 parsed_6x8r 1
1 6x8r.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6x8r 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6x8r
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.8 -50.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6x8r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.7 25.3 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6x8r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_6x8r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.6 -65.6 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6x8r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.2 48.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6x8r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 4 . N . 4 . CA . 4 . CB . 4 . SG parsed_6x8r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.0 150.0 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6x8r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6x8r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.5 -46.5 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6x8r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97.6 174.4 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6x8r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6x8r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.2 -15.2 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6x8r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.2 -32.2 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6x8r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.1 -25.1 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6x8r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.1 -48.1 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6x8r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.8 -10.8 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6x8r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . N . 15 . CA . 15 . CB . 15 . SG parsed_6x8r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.6 -43.6 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6x8r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.8 -17.8 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6x8r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.5 7.5 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6x8r 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.7 -57.7 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6x8r 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.5 -43.3 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6x8r 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 88.4 168.4 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6x8r 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.9 -27.9 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6x8r 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.8 2.2 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6x8r 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . N . 21 . CA . 21 . CB . 21 . SG parsed_6x8r 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.0 -20.0 . . 4 . CA . 4 . CB . 4 . SG . 21 . SG parsed_6x8r 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . CA . 15 . CB . 15 . SG . 3 . SG parsed_6x8r 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 "#Dihedral restraints" 1 1 1 20 parsed_6x8r 1
stop_
save_