NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
49715 |
2jvd   |
15476 | cing | 2-parsed | STAR | dihedral angle | 68 |
data_2jvd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2jvd
_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_2jvd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2jvd
_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 2jvd "Master copy" parsed_2jvd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2jvd
_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 2jvd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2jvd 1
1 2jvd.mr . . XPLOR/CNS 2 distance NOE simple 1051 parsed_2jvd 1
1 2jvd.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 68 parsed_2jvd 1
1 2jvd.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2jvd 1
1 2jvd.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 0 parsed_2jvd 1
1 2jvd.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2jvd 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2jvd
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.36 -18.36 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2jvd 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.20 11.80 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2jvd 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.56 -27.56 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2jvd 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.58 9.42 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2jvd 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.85 -26.85 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2jvd 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.20 8.80 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2jvd 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.58 -22.58 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2jvd 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.07 7.93 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2jvd 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.27 -22.27 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2jvd 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.83 12.17 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2jvd 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.66 -27.66 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2jvd 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.92 9.08 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2jvd 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.23 -22.23 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2jvd 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.47 6.53 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2jvd 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.42 -22.42 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2jvd 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.47 9.53 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2jvd 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.61 -24.61 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2jvd 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.69 6.31 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2jvd 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.46 -18.46 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2jvd 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.10 7.90 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2jvd 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100.39 -20.39 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2jvd 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.36 6.64 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2jvd 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.51 -24.51 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2jvd 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.21 10.79 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2jvd 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.36 -24.36 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2jvd 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.06 7.94 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2jvd 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.25 -26.25 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2jvd 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.58 14.42 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2jvd 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.92 -26.92 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2jvd 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.22 23.78 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2jvd 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.58 -48.58 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2jvd 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.02 50.98 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2jvd 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.53 -61.53 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2jvd 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 77.27 177.27 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2jvd 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.77 -45.77 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2jvd 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.24 214.24 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2jvd 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.45 -18.45 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2jvd 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.42 12.58 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2jvd 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -104.69 -24.69 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2jvd 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.82 9.18 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2jvd 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.44 -28.44 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2jvd 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.02 8.98 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2jvd 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.38 -27.38 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2jvd 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.69 11.31 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2jvd 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.06 -26.06 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2jvd 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.01 11.99 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2jvd 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.91 -29.91 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2jvd 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.96 11.04 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2jvd 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.07 -22.07 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2jvd 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.41 7.59 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2jvd 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.65 -22.65 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2jvd 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.82 4.18 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2jvd 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -106.63 -26.63 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2jvd 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.11 9.89 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2jvd 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.68 -23.68 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2jvd 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.25 10.75 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2jvd 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.54 -25.54 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2jvd 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.60 12.40 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2jvd 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.96 -22.96 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2jvd 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.40 7.60 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2jvd 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.06 -25.06 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2jvd 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.06 9.94 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2jvd 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.17 -25.17 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2jvd 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.31 7.69 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2jvd 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.29 -27.29 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2jvd 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.03 13.97 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2jvd 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25.20 105.20 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2jvd 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.42 19.58 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2jvd 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 angle constraints from Talos
ACO file produced by PDBStat
Version: 5.0-Exp Compiled 2007-05-25 on (troberto)
;
1 1 5 2 parsed_2jvd 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 dihedral 6 2 6 9 parsed_2jvd 1
stop_
save_
Contact the webmaster for help, if required. Friday, April 19, 2024 12:53:09 AM GMT (wattos1)