NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
601718 |
2n07   |
25516 | cing | 2-parsed | STAR | entry | full | 77 |
data_2n07_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n07
_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_2n07 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n07
_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 2n07 "Master copy" parsed_2n07
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n07
_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 2n07.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n07 1
1 2n07.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 77 parsed_2n07 1
1 2n07.mr . . unknown 3 unknown "Not applicable" "Not applicable" 0 parsed_2n07 1
1 2n07.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n07 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2n07
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER TOXIN 04-MAR-15 2N07
*TITLE DESIGN OF A HIGHLY STABLE DISULFIDE-DELETED MUTANT OF ANALGESIC CYCLIC
*TITLE 2 ALPHA-CONOTOXIN VC1.1
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ALPHA-CONOTOXIN VC1A;
*COMPND 3 CHAIN: X;
*COMPND 4 FRAGMENT: UNP RESIDUES 50-66;
*COMPND 5 SYNONYM: ACV1, ALPHA-VC1A, VC1.1;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MUTATION: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 SYNTHETIC: YES;
*SOURCE 3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE;
*SOURCE 4 ORGANISM_COMMON: QUEEN VICTORIA CONE;
*SOURCE 5 ORGANISM_TAXID: 319920
*KEYWDS DISULFIDE-DELETED MUTANT, CVC1.1, TOXIN
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR R.YU, V.SEYMOUR, G.BERECKI, X.JIA, M.AKCAN, D.ADAMS, Q.KAAS, D.CRAIK
*REVDAT 1 13-APR-16 2N07 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2n07
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2n07 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2n07 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2n07 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2n07 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2n07 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2n07 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2n07 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2n07 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2n07 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2n07 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2n07 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2n07 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2n07 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2n07 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2n07 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2n07 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2n07 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2n07 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2n07 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2n07 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2n07 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2n07 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2n07 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2n07 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -135.0 75.0 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2n07 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105.0 185.0 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2n07 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 2 . N . 2 . CA . 2 . CB . 2 . CG parsed_2n07 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 2 . N . 2 . CA . 2 . CB . 2 . CG parsed_2n07 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 2 . N . 2 . CA . 2 . CB . 2 . CG parsed_2n07 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_2n07 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_2n07 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_2n07 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 4 . N . 4 . CA . 4 . CB . 4 . OG parsed_2n07 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 4 . N . 4 . CA . 4 . CB . 4 . OG parsed_2n07 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 4 . N . 4 . CA . 4 . CB . 4 . OG parsed_2n07 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2n07 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2n07 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2n07 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_2n07 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_2n07 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_2n07 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 7 . CA . 7 . CB . 7 . CG . 7 . CD parsed_2n07 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 7 . CA . 7 . CB . 7 . CG . 7 . CD parsed_2n07 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 7 . CA . 7 . CB . 7 . CG . 7 . CD parsed_2n07 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 7 . CB . 7 . CG . 7 . CD . 7 . NE parsed_2n07 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 7 . CB . 7 . CG . 7 . CD . 7 . NE parsed_2n07 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 7 . CB . 7 . CG . 7 . CD . 7 . NE parsed_2n07 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2n07 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2n07 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 8 . N . 8 . CA . 8 . CB . 8 . CG parsed_2n07 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2n07 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2n07 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2n07 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2n07 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2n07 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 10 . N . 10 . CA . 10 . CB . 10 . CG parsed_2n07 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_2n07 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_2n07 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 11 . N . 11 . CA . 11 . CB . 11 . CG parsed_2n07 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_2n07 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_2n07 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 12 . N . 12 . CA . 12 . CB . 12 . CG parsed_2n07 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2n07 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2n07 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2n07 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 14 . CA . 14 . CB . 14 . CG . 14 . CD parsed_2n07 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 14 . CA . 14 . CB . 14 . CG . 14 . CD parsed_2n07 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 14 . CA . 14 . CB . 14 . CG . 14 . CD parsed_2n07 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG1 parsed_2n07 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG1 parsed_2n07 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 15 . N . 15 . CA . 15 . CB . 15 . CG1 parsed_2n07 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 15 . CA . 15 . CB . 15 . CG1 . 15 . CD1 parsed_2n07 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 15 . CA . 15 . CB . 15 . CG1 . 15 . CD1 parsed_2n07 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 15 . CA . 15 . CB . 15 . CG1 . 15 . CD1 parsed_2n07 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 210.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_2n07 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.0 330.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_2n07 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -210.0 90.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_2n07 1
stop_
save_
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