NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
37326 |
1pdt   |
cing | 2-parsed | STAR | dihedral angle | 44 |
data_1pdt_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1pdt
_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_1pdt 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1pdt
_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 1pdt "Master copy" parsed_1pdt
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1pdt
_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 1pdt.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1pdt 1
1 1pdt.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1pdt 1
1 1pdt.mr . . XPLOR/CNS 3 distance NOE ambi 267 parsed_1pdt 1
1 1pdt.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1pdt 1
1 1pdt.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_1pdt 1
1 1pdt.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1pdt 1
1 1pdt.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1pdt 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1pdt
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 5
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 9 . CA2 S2 9 . NB S2 9 . CA S2 9 . OA parsed_1pdt 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 9 . CG S2 9 . NB S2 9 . CA S2 9 . OA parsed_1pdt 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 9 . CA2 S2 9 . C S2 10 . N S2 10 . CD parsed_1pdt 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 9 . CA2 S2 9 . C S2 10 . N S2 10 . HN parsed_1pdt 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 9 . O S2 9 . C S2 10 . N S2 10 . HN parsed_1pdt 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 9 . O S2 9 . C S2 10 . N S2 10 . CD parsed_1pdt 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 10 . CA2 S2 10 . NB S2 10 . CA S2 10 . OA parsed_1pdt 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 10 . CG S2 10 . NB S2 10 . CA S2 10 . OA parsed_1pdt 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 10 . CA2 S2 10 . C S2 11 . N S2 11 . CD parsed_1pdt 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 10 . CA2 S2 10 . C S2 11 . N S2 11 . HN parsed_1pdt 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 10 . O S2 10 . C S2 11 . N S2 11 . HN parsed_1pdt 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 10 . O S2 10 . C S2 11 . N S2 11 . CD parsed_1pdt 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 11 . CA2 S2 11 . NB S2 11 . CA S2 11 . OA parsed_1pdt 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 11 . CG S2 11 . NB S2 11 . CA S2 11 . OA parsed_1pdt 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 11 . CA2 S2 11 . C S2 12 . N S2 12 . CD parsed_1pdt 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 11 . CA2 S2 11 . C S2 12 . N S2 12 . HN parsed_1pdt 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 11 . O S2 11 . C S2 12 . N S2 12 . HN parsed_1pdt 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 11 . O S2 11 . C S2 12 . N S2 12 . CD parsed_1pdt 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 12 . CA2 S2 12 . NB S2 12 . CA S2 12 . OA parsed_1pdt 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 12 . CG S2 12 . NB S2 12 . CA S2 12 . OA parsed_1pdt 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 12 . CA2 S2 12 . C S2 13 . N S2 13 . CD parsed_1pdt 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 12 . CA2 S2 12 . C S2 13 . N S2 13 . HN parsed_1pdt 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 12 . O S2 12 . C S2 13 . N S2 13 . HN parsed_1pdt 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 12 . O S2 12 . C S2 13 . N S2 13 . CD parsed_1pdt 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 13 . CA2 S2 13 . NB S2 13 . CA S2 13 . OA parsed_1pdt 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 13 . CG S2 13 . NB S2 13 . CA S2 13 . OA parsed_1pdt 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 13 . CA2 S2 13 . C S2 14 . N S2 14 . CD parsed_1pdt 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 13 . CA2 S2 13 . C S2 14 . N S2 14 . HN parsed_1pdt 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 13 . O S2 13 . C S2 14 . N S2 14 . HN parsed_1pdt 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 13 . O S2 13 . C S2 14 . N S2 14 . CD parsed_1pdt 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 14 . CA2 S2 14 . NB S2 14 . CA S2 14 . OA parsed_1pdt 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 14 . CG S2 14 . NB S2 14 . CA S2 14 . OA parsed_1pdt 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 14 . CA2 S2 14 . C S2 15 . N S2 15 . CD parsed_1pdt 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 14 . CA2 S2 14 . C S2 15 . N S2 15 . HN parsed_1pdt 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 14 . O S2 14 . C S2 15 . N S2 15 . HN parsed_1pdt 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 14 . O S2 14 . C S2 15 . N S2 15 . CD parsed_1pdt 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 15 . CA2 S2 15 . NB S2 15 . CA S2 15 . OA parsed_1pdt 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 15 . CG S2 15 . NB S2 15 . CA S2 15 . OA parsed_1pdt 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 15 . CA2 S2 15 . C S2 16 . N S2 16 . CD parsed_1pdt 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 15 . CA2 S2 15 . C S2 16 . N S2 16 . HN parsed_1pdt 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 15 . O S2 15 . C S2 16 . N S2 16 . HN parsed_1pdt 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 15 . O S2 15 . C S2 16 . N S2 16 . CD parsed_1pdt 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -2.00 2.00 . S2 16 . CA2 S2 16 . NB S2 16 . CA S2 16 . OA parsed_1pdt 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 178.00 182.00 . S2 16 . CG S2 16 . NB S2 16 . CA S2 16 . OA parsed_1pdt 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 "constraints dihedral reset" 1 1 1 29 parsed_1pdt 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 14, 2024 4:20:42 AM GMT (wattos1)