NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
528631 |
2lex   |
17732 | cing | 2-parsed | STAR | dihedral angle | 48 |
data_2lex_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lex
_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_2lex 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lex
_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 2lex "Master copy" parsed_2lex
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lex
_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 2lex.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lex 1
1 2lex.mr . . XPLOR/CNS 2 distance NOE simple 970 parsed_2lex 1
1 2lex.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 38 parsed_2lex 1
1 2lex.mr . . XPLOR/CNS 4 distance "general distance" simple 4 parsed_2lex 1
1 2lex.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 50 parsed_2lex 1
1 2lex.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2lex 1
1 2lex.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2lex 1
1 2lex.mr . . XPLOR/CNS 8 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2lex 1
1 2lex.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lex 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2lex
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.9 -110.5 . . 413 . C . 414 . N . 414 . CA . 414 . C parsed_2lex 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.2 178.2 . . 414 . N . 414 . CA . 414 . C . 415 . N parsed_2lex 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.6 -66.6 . . 414 . C . 415 . N . 415 . CA . 415 . C parsed_2lex 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96.4 139.0 . . 415 . N . 415 . CA . 415 . C . 416 . N parsed_2lex 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.9 -94.1 . . 419 . C . 420 . N . 420 . CA . 420 . C parsed_2lex 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.6 181.0 . . 420 . N . 420 . CA . 420 . C . 421 . N parsed_2lex 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.0 -64.6 . . 420 . C . 421 . N . 421 . CA . 421 . C parsed_2lex 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.2 153.2 . . 421 . N . 421 . CA . 421 . C . 422 . N parsed_2lex 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.3 -71.7 . . 421 . C . 422 . N . 422 . CA . 422 . C parsed_2lex 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.9 183.1 . . 422 . N . 422 . CA . 422 . C . 423 . N parsed_2lex 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -75.2 . . 424 . C . 425 . N . 425 . CA . 425 . C parsed_2lex 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34.5 162.1 . . 425 . N . 425 . CA . 425 . C . 426 . N parsed_2lex 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.2 -43.2 . . 427 . C . 428 . N . 428 . CA . 428 . C parsed_2lex 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.3 165.3 . . 428 . N . 428 . CA . 428 . C . 429 . N parsed_2lex 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -184.3 -52.9 . . 428 . C . 429 . N . 429 . CA . 429 . C parsed_2lex 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.3 184.5 . . 429 . N . 429 . CA . 429 . C . 430 . N parsed_2lex 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.2 -103.0 . . 432 . C . 433 . N . 433 . CA . 433 . C parsed_2lex 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.9 163.1 . . 433 . N . 433 . CA . 433 . C . 434 . N parsed_2lex 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.0 -35.6 . . 434 . C . 435 . N . 435 . CA . 435 . C parsed_2lex 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.9 177.9 . . 435 . N . 435 . CA . 435 . C . 436 . N parsed_2lex 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -178.1 -83.9 . . 441 . C . 442 . N . 442 . CA . 442 . C parsed_2lex 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 134.4 177.8 . . 442 . N . 442 . CA . 442 . C . 443 . N parsed_2lex 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -169.3 -92.5 . . 442 . C . 443 . N . 443 . CA . 443 . C parsed_2lex 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.8 170.8 . . 443 . N . 443 . CA . 443 . C . 444 . N parsed_2lex 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.0 -112.4 . . 443 . C . 444 . N . 444 . CA . 444 . C parsed_2lex 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.8 172.2 . . 444 . N . 444 . CA . 444 . C . 445 . N parsed_2lex 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.5 -89.5 . . 444 . C . 445 . N . 445 . CA . 445 . C parsed_2lex 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 164.8 . . 445 . N . 445 . CA . 445 . C . 446 . N parsed_2lex 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -166.5 -92.9 . . 445 . C . 446 . N . 446 . CA . 446 . C parsed_2lex 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131.6 171.6 . . 446 . N . 446 . CA . 446 . C . 447 . N parsed_2lex 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.4 -43.4 . . 448 . C . 449 . N . 449 . CA . 449 . C parsed_2lex 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.9 1.9 . . 449 . N . 449 . CA . 449 . C . 450 . N parsed_2lex 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.9 -64.1 . . 449 . C . 450 . N . 450 . CA . 450 . C parsed_2lex 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.7 43.3 . . 450 . N . 450 . CA . 450 . C . 451 . N parsed_2lex 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.1 -52.1 . . 452 . C . 453 . N . 453 . CA . 453 . C parsed_2lex 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.8 9.6 . . 453 . N . 453 . CA . 453 . C . 454 . N parsed_2lex 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.8 -84.8 . . 455 . C . 456 . N . 456 . CA . 456 . C parsed_2lex 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.9 142.9 . . 456 . N . 456 . CA . 456 . C . 457 . N parsed_2lex 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.2 -92.2 . . 456 . C . 457 . N . 457 . CA . 457 . C parsed_2lex 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.3 156.3 . . 457 . N . 457 . CA . 457 . C . 458 . N parsed_2lex 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -175.6 -72.4 . . 457 . C . 458 . N . 458 . CA . 458 . C parsed_2lex 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.3 182.5 . . 458 . N . 458 . CA . 458 . C . 459 . N parsed_2lex 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -176.5 -80.1 . . 458 . C . 459 . N . 459 . CA . 459 . C parsed_2lex 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.7 180.7 . . 459 . N . 459 . CA . 459 . C . 460 . N parsed_2lex 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -157.1 -78.5 . . 461 . C . 462 . N . 462 . CA . 462 . C parsed_2lex 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.4 186.8 . . 462 . N . 462 . CA . 462 . C . 463 . N parsed_2lex 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.4 -21.4 . . 462 . C . 463 . N . 463 . CA . 463 . C parsed_2lex 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.6 174.0 . . 463 . N . 463 . CA . 463 . C . 464 . N parsed_2lex 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
;
!dihedral angles
TALOS
;
1 1 2 7 parsed_2lex 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 2:33:43 AM GMT (wattos1)