NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
604683 |
5aay   |
25736 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_5aay_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5aay
_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_5aay 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5aay
_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 5aay "Master copy" parsed_5aay
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5aay
_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 5aay.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5aay 1
1 5aay.mr . . XPLOR/CNS 2 distance NOE simple 597 parsed_5aay 1
1 5aay.mr . . XPLOR/CNS 3 distance "general distance" simple 10 parsed_5aay 1
1 5aay.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_5aay 1
1 5aay.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_5aay 1
1 5aay.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5aay 1
stop_
save_
save_CNS/XPLOR_dihedral_5
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5aay
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.5 -78.9 . . 395 . C . 396 . N . 396 . CA . 396 . C parsed_5aay 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -67.8 . . 396 . C . 397 . N . 397 . CA . 397 . C parsed_5aay 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.4 -71.2 . . 398 . C . 399 . N . 399 . CA . 399 . C parsed_5aay 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.6 -58.4 . . 401 . C . 402 . N . 402 . CA . 402 . C parsed_5aay 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.2 -75.8 . . 402 . C . 403 . N . 403 . CA . 403 . C parsed_5aay 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.3 -47.5 . . 403 . C . 404 . N . 404 . CA . 404 . C parsed_5aay 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.3 -46.5 . . 404 . C . 405 . N . 405 . CA . 405 . C parsed_5aay 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.7 -35.1 . . 406 . C . 407 . N . 407 . CA . 407 . C parsed_5aay 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.4 -52.2 . . 407 . C . 408 . N . 408 . CA . 408 . C parsed_5aay 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.8 -55.2 . . 408 . C . 409 . N . 409 . CA . 409 . C parsed_5aay 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.9 -58.5 . . 409 . C . 410 . N . 410 . CA . 410 . C parsed_5aay 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.9 -56.9 . . 410 . C . 411 . N . 411 . CA . 411 . C parsed_5aay 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.8 -54.6 . . 411 . C . 412 . N . 412 . CA . 412 . C parsed_5aay 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.8 -57.4 . . 412 . C . 413 . N . 413 . CA . 413 . C parsed_5aay 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.9 -54.5 . . 413 . C . 414 . N . 414 . CA . 414 . C parsed_5aay 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.6 -53.6 . . 414 . C . 415 . N . 415 . CA . 415 . C parsed_5aay 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.1 -80.5 . . 415 . C . 416 . N . 416 . CA . 416 . C parsed_5aay 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.7 -49.7 . . 417 . C . 418 . N . 418 . CA . 418 . C parsed_5aay 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.5 146.7 . . 396 . N . 396 . CA . 396 . C . 397 . N parsed_5aay 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101.2 151.8 . . 397 . N . 397 . CA . 397 . C . 398 . N parsed_5aay 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.6 2.8 . . 399 . N . 399 . CA . 399 . C . 400 . N parsed_5aay 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.4 153.2 . . 402 . N . 402 . CA . 402 . C . 403 . N parsed_5aay 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.8 146.8 . . 403 . N . 403 . CA . 403 . C . 404 . N parsed_5aay 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94.3 166.1 . . 404 . N . 404 . CA . 404 . C . 405 . N parsed_5aay 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -36.6 -10.4 . . 405 . N . 405 . CA . 405 . C . 406 . N parsed_5aay 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.8 -19.2 . . 407 . N . 407 . CA . 407 . C . 408 . N parsed_5aay 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -35.8 . . 408 . N . 408 . CA . 408 . C . 409 . N parsed_5aay 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.6 -36.8 . . 409 . N . 409 . CA . 409 . C . 410 . N parsed_5aay 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.2 -38.6 . . 410 . N . 410 . CA . 410 . C . 411 . N parsed_5aay 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.9 -30.5 . . 411 . N . 411 . CA . 411 . C . 412 . N parsed_5aay 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.3 -31.1 . . 412 . N . 412 . CA . 412 . C . 413 . N parsed_5aay 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.7 -34.1 . . 413 . N . 413 . CA . 413 . C . 414 . N parsed_5aay 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.1 -26.7 . . 414 . N . 414 . CA . 414 . C . 415 . N parsed_5aay 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -38.4 -25.4 . . 415 . N . 415 . CA . 415 . C . 416 . N parsed_5aay 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -27.1 35.1 . . 416 . N . 416 . CA . 416 . C . 417 . N parsed_5aay 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.8 155.2 . . 418 . N . 418 . CA . 418 . C . 419 . N parsed_5aay 1
stop_
save_
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