Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
280180 | 2kqb RC | 16596 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_2kqb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kqb
_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_2kqb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kqb
_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 2kqb "Master copy" parsed_2kqb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kqb
_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 2kqb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kqb 1
1 2kqb.mr . . XPLOR/CNS 2 distance NOE simple 715 parsed_2kqb 1
1 2kqb.mr . . XPLOR/CNS 3 distance "general distance" simple 6 parsed_2kqb 1
1 2kqb.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2kqb 1
1 2kqb.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_2kqb 1
1 2kqb.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kqb 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2kqb
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.5 -38.5 . . 390 . C . 391 . N . 391 . CA . 391 . C parsed_2kqb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.3 -31.3 . . 391 . N . 391 . CA . 391 . C . 392 . N parsed_2kqb 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.2 -40.2 . . 391 . C . 392 . N . 392 . CA . 392 . C parsed_2kqb 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.1 -32.1 . . 392 . N . 392 . CA . 392 . C . 393 . N parsed_2kqb 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.4 -47.0 . . 392 . C . 393 . N . 393 . CA . 393 . C parsed_2kqb 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.1 -16.7 . . 393 . N . 393 . CA . 393 . C . 394 . N parsed_2kqb 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.0 -42.8 . . 393 . C . 394 . N . 394 . CA . 394 . C parsed_2kqb 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.8 -22.6 . . 394 . N . 394 . CA . 394 . C . 395 . N parsed_2kqb 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.4 -64.2 . . 395 . C . 396 . N . 396 . CA . 396 . C parsed_2kqb 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 141.1 161.1 . . 396 . N . 396 . CA . 396 . C . 397 . N parsed_2kqb 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -182.6 -61.4 . . 396 . C . 397 . N . 397 . CA . 397 . C parsed_2kqb 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.4 171.0 . . 397 . N . 397 . CA . 397 . C . 398 . N parsed_2kqb 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.0 -30.6 . . 397 . C . 398 . N . 398 . CA . 398 . C parsed_2kqb 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.4 145.4 . . 398 . N . 398 . CA . 398 . C . 399 . N parsed_2kqb 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126.3 138.1 . . 399 . N . 399 . CA . 399 . C . 400 . N parsed_2kqb 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.5 116.5 . . 399 . C . 400 . N . 400 . CA . 400 . C parsed_2kqb 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -25.6 -5.8 . . 400 . N . 400 . CA . 400 . C . 401 . N parsed_2kqb 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.8 -54.2 . . 400 . C . 401 . N . 401 . CA . 401 . C parsed_2kqb 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.3 169.1 . . 401 . N . 401 . CA . 401 . C . 402 . N parsed_2kqb 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.6 -42.6 . . 401 . C . 402 . N . 402 . CA . 402 . C parsed_2kqb 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.6 -18.0 . . 402 . N . 402 . CA . 402 . C . 403 . N parsed_2kqb 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.1 -75.1 . . 402 . C . 403 . N . 403 . CA . 403 . C parsed_2kqb 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -1.5 18.7 . . 403 . N . 403 . CA . 403 . C . 404 . N parsed_2kqb 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122.3 -28.9 . . 403 . C . 404 . N . 404 . CA . 404 . C parsed_2kqb 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.9 140.9 . . 404 . N . 404 . CA . 404 . C . 405 . N parsed_2kqb 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 379 . N . 379 . CA . 379 . CB . 379 . SG parsed_2kqb 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 381 . N . 381 . CA . 381 . CB . 381 . CG parsed_2kqb 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 384 . N . 384 . CA . 384 . CB . 384 . CG parsed_2kqb 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 387 . N . 387 . CA . 387 . CB . 387 . CG parsed_2kqb 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 388 . N . 388 . CA . 388 . CB . 388 . CG parsed_2kqb 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 392 . N . 392 . CA . 392 . CB . 392 . CG parsed_2kqb 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 393 . N . 393 . CA . 393 . CB . 393 . CG parsed_2kqb 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 394 . N . 394 . CA . 394 . CB . 394 . CG parsed_2kqb 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 395 . N . 395 . CA . 395 . CB . 395 . CG parsed_2kqb 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 396 . N . 396 . CA . 396 . CB . 396 . CG parsed_2kqb 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 398 . N . 398 . CA . 398 . CB . 398 . CG parsed_2kqb 1
stop_
save_