NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
651888 |
6z0i   |
50265 | cing | 2-parsed | STAR | dihedral angle | 63 |
data_6z0i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6z0i
_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_6z0i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6z0i
_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 6z0i "Master copy" parsed_6z0i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6z0i
_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 6z0i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6z0i 1
1 6z0i.mr . . unknown 2 unknown "Not applicable" "Not applicable" 0 parsed_6z0i 1
1 6z0i.mr . . XPLOR/CNS 3 distance NOE simple 69 parsed_6z0i 1
1 6z0i.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 63 parsed_6z0i 1
1 6z0i.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6z0i 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6z0i
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -39.0 . A 3 . c A 4 . n A 4 . ca A 4 . c parsed_6z0i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -3.0 . A 4 . n A 4 . ca A 4 . c A 5 . n parsed_6z0i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -88.0 . A 4 . c A 5 . n A 5 . ca A 5 . c parsed_6z0i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -18.0 18.0 . A 5 . n A 5 . ca A 5 . c A 6 . n parsed_6z0i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -125.0 -95.0 . A 5 . c A 6 . n A 6 . ca A 6 . c parsed_6z0i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -10.0 30.0 . A 6 . n A 6 . ca A 6 . c A 7 . n parsed_6z0i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -270.0 -88.0 . A 6 . c A 7 . n A 7 . ca A 7 . c parsed_6z0i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 137.0 199.0 . A 7 . n A 7 . ca A 7 . c A 8 . n parsed_6z0i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -81.0 . A 7 . c A 8 . n A 8 . ca A 8 . c parsed_6z0i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 142.0 . A 8 . n A 8 . ca A 8 . c A 9 . n parsed_6z0i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.8 -67.2 . A 8 . c A 9 . n A 9 . ca A 9 . c parsed_6z0i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.9 159.1 . A 9 . n A 9 . ca A 9 . c A 10 . n parsed_6z0i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.9 -47.1 . A 9 . c A 10 . n A 10 . ca A 10 . c parsed_6z0i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.5 157.1 . A 10 . n A 10 . ca A 10 . c A 11 . n parsed_6z0i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -34.4 . A 10 . c A 11 . n A 11 . ca A 11 . c parsed_6z0i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.9 -17.3 . A 11 . n A 11 . ca A 11 . c A 12 . n parsed_6z0i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -54.0 . A 15 . c A 16 . n A 16 . ca A 16 . c parsed_6z0i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -13.0 . A 16 . n A 16 . ca A 16 . c A 17 . n parsed_6z0i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.0 -55.0 . A 16 . c A 17 . n A 17 . ca A 17 . c parsed_6z0i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -15.0 . A 17 . n A 17 . ca A 17 . c A 18 . n parsed_6z0i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -51.0 . A 17 . c A 18 . n A 18 . ca A 18 . c parsed_6z0i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -15.0 . A 18 . n A 18 . ca A 18 . c A 19 . n parsed_6z0i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . A 18 . c A 19 . n A 19 . ca A 19 . c parsed_6z0i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -27.0 . A 19 . n A 19 . ca A 19 . c A 20 . n parsed_6z0i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -51.0 . A 19 . c A 20 . n A 20 . ca A 20 . c parsed_6z0i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -17.0 . A 20 . n A 20 . ca A 20 . c A 21 . n parsed_6z0i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.0 -54.0 . A 20 . c A 21 . n A 21 . ca A 21 . c parsed_6z0i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.0 -32.0 . A 21 . n A 21 . ca A 21 . c A 22 . n parsed_6z0i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -52.0 . A 21 . c A 22 . n A 22 . ca A 22 . c parsed_6z0i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -33.0 . A 22 . n A 22 . ca A 22 . c A 23 . n parsed_6z0i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . A 22 . c A 23 . n A 23 . ca A 23 . c parsed_6z0i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -33.0 . A 23 . n A 23 . ca A 23 . c A 24 . n parsed_6z0i 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -52.0 . A 25 . c A 26 . n A 26 . ca A 26 . c parsed_6z0i 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -26.0 . A 26 . n A 26 . ca A 26 . c A 27 . n parsed_6z0i 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -52.0 . A 26 . c A 27 . n A 27 . ca A 27 . c parsed_6z0i 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -34.0 . A 27 . n A 27 . ca A 27 . c A 28 . n parsed_6z0i 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -54.0 . A 27 . c A 28 . n A 28 . ca A 28 . c parsed_6z0i 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -28.0 . A 28 . n A 28 . ca A 28 . c A 29 . n parsed_6z0i 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -55.0 . A 28 . c A 29 . n A 29 . ca A 29 . c parsed_6z0i 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.0 -21.0 . A 29 . n A 29 . ca A 29 . c A 30 . n parsed_6z0i 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.0 -50.0 . A 29 . c A 30 . n A 30 . ca A 30 . c parsed_6z0i 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.0 -33.0 . A 30 . n A 30 . ca A 30 . c A 31 . n parsed_6z0i 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.0 -58.0 . A 30 . c A 31 . n A 31 . ca A 31 . c parsed_6z0i 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -16.0 . A 31 . n A 31 . ca A 31 . c A 32 . n parsed_6z0i 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -55.0 . A 31 . c A 32 . n A 32 . ca A 32 . c parsed_6z0i 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.0 -32.0 . A 32 . n A 32 . ca A 32 . c A 33 . n parsed_6z0i 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -53.0 . A 32 . c A 33 . n A 33 . ca A 33 . c parsed_6z0i 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.0 -15.0 . A 33 . n A 33 . ca A 33 . c A 34 . n parsed_6z0i 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -49.0 . A 33 . c A 34 . n A 34 . ca A 34 . c parsed_6z0i 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -13.0 . A 34 . n A 34 . ca A 34 . c A 35 . n parsed_6z0i 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -59.0 . A 34 . c A 35 . n A 35 . ca A 35 . c parsed_6z0i 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.0 -57.0 . A 35 . c A 36 . n A 36 . ca A 36 . c parsed_6z0i 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -26.0 . A 36 . n A 36 . ca A 36 . c A 37 . n parsed_6z0i 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.0 -49.0 . A 36 . c A 37 . n A 37 . ca A 37 . c parsed_6z0i 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.0 -14.0 . A 37 . n A 37 . ca A 37 . c A 38 . n parsed_6z0i 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -57.0 . A 37 . c A 38 . n A 38 . ca A 38 . c parsed_6z0i 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.0 -10.0 . A 38 . n A 38 . ca A 38 . c A 39 . n parsed_6z0i 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -142.0 -52.0 . A 39 . c A 40 . n A 40 . ca A 40 . c parsed_6z0i 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.0 164.0 . A 40 . n A 40 . ca A 40 . c A 41 . n parsed_6z0i 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -183.0 -55.0 . A 40 . c A 41 . n A 41 . ca A 41 . c parsed_6z0i 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 188.0 . A 41 . n A 41 . ca A 41 . c A 42 . n parsed_6z0i 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -18.0 . A 45 . c A 46 . n A 46 . ca A 46 . c parsed_6z0i 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 154.0 . A 46 . n A 46 . ca A 46 . c A 47 . n parsed_6z0i 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
;
assign(segid A and resid 23 and name c )(segid A and resid 24 and name n )
(segid A and resid 24 and name ca)(segid A and resid 24 and name c ) 5 -65.0 10.0 2
assign(segid A and resid 24 and name n )(segid A and resid 24 and name ca )
(segid A and resid 24 and name c )(segid A and resid 25 and name n ) 5 -19.0 11.0 2
assign(segid A and resid 24 and name c )(segid A and resid 25 and name n )
(segid A and resid 25 and name ca)(segid A and resid 25 and name c ) 5 -84.0 29.0 2
assign(segid A and resid 25 and name n )(segid A and resid 25 and name ca )
(segid A and resid 25 and name c )(segid A and resid 26 and name n ) 5 -9.0 36.0 2
;
114 1 125 100 parsed_6z0i 1
2
;
assign(segid A and resid 35 and name n )(segid A and resid 35 and name ca )
(segid A and resid 35 and name c )(segid A and resid 36 and name n ) 5 -10.0 29.0 2
;
194 1 195 100 parsed_6z0i 1
3
;
assign(segid A and resid 38 and name c )(segid A and resid 39 and name n )
(segid A and resid 39 and name ca)(segid A and resid 39 and name c ) 5 -99.0 20.0 2
assign(segid A and resid 39 and name n )(segid A and resid 39 and name ca )
(segid A and resid 39 and name c )(segid A and resid 40 and name n ) 5 0.0 18.0 2
;
219 1 223 100 parsed_6z0i 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 "# Restraints file 3: talos_dihed.tbl" 1 1 1 36 parsed_6z0i 1
stop_
save_
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