NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
587929 |
2mnq   |
19901 | cing | 2-parsed | STAR | dihedral angle | 47 |
data_2mnq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mnq
_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_2mnq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mnq
_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 2mnq "Master copy" parsed_2mnq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mnq
_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 2mnq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mnq 1
1 2mnq.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 47 parsed_2mnq 1
1 2mnq.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_2mnq 1
1 2mnq.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mnq 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mnq
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2mnq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mnq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mnq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mnq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2mnq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mnq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mnq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -29.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2mnq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -29.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mnq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.41 -46.41 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mnq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.18 -54.18 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2mnq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.42 -54.42 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mnq 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.44 -55.44 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2mnq 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.67 -48.67 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2mnq 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.92 -55.92 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2mnq 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.95 -52.95 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2mnq 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.95 -53.95 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2mnq 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.62 -53.62 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2mnq 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2mnq 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2mnq 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2mnq 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -39.00 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2mnq 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -29.00 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2mnq 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.00 -19.00 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2mnq 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2mnq 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mnq 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mnq 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mnq 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mnq 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mnq 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mnq 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -5.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2mnq 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.09 -20.09 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2mnq 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.13 -30.13 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2mnq 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.92 -27.92 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2mnq 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.22 -31.22 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2mnq 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.07 -33.07 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2mnq 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.57 -30.57 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2mnq 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.77 -28.77 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2mnq 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.44 -30.44 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mnq 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.54 -31.54 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2mnq 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2mnq 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2mnq 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2mnq 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -37.00 -15.00 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2mnq 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.00 -5.00 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2mnq 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 6.00 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2mnq 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 Restraints }
!phi C(i-1)-N(i)-CA(i)-C(i)
D2
;
1 1 4 6 parsed_2mnq 1
2 A3 11 1 11 6 parsed_2mnq 1
3 A4 18 1 18 6 parsed_2mnq 1
4 V5 25 1 25 6 parsed_2mnq 1
5 D6 32 1 32 6 parsed_2mnq 1
6 T7 39 1 39 6 parsed_2mnq 1
7 S8 46 1 46 6 parsed_2mnq 1
8 S9 53 1 53 6 parsed_2mnq 1
9 E10 60 1 60 7 parsed_2mnq 1
10
;
I11
assign
(resid 10 and name C )
(resid 11 and name N )
(resid 11 and name CA )
(resid 11 and name C ) 1 -49.00 20.00 2
T12
assign
(resid 11 and name C )
(resid 12 and name N )
(resid 12 and name CA )
(resid 12 and name C ) 1 -63.30 20.00 2
T13
;
67 1 81 7 parsed_2mnq 1
11 K14 88 1 88 7 parsed_2mnq 1
12 D15 95 1 95 7 parsed_2mnq 1
13 L16 102 1 102 7 parsed_2mnq 1
14 K17 109 1 109 7 parsed_2mnq 1
15 E18 116 1 116 7 parsed_2mnq 1
16 K19 123 1 123 7 parsed_2mnq 1
17 K20 130 1 130 7 parsed_2mnq 1
18 E21 137 1 137 7 parsed_2mnq 1
19 V22 144 1 144 7 parsed_2mnq 1
20 V23 151 1 151 7 parsed_2mnq 1
21 E24 158 1 158 7 parsed_2mnq 1
22 E25 165 1 165 7 parsed_2mnq 1
23 A26 172 1 172 7 parsed_2mnq 1
24 E27 179 1 179 7 parsed_2mnq 1
25
;
! { Dihedral Angle Restraints }
!psi N(i)-CA(i)-C(i)-N(i+1)
D2
;
186 1 189 6 parsed_2mnq 1
26 A3 196 1 196 6 parsed_2mnq 1
27 A4 203 1 203 6 parsed_2mnq 1
28 V5 210 1 210 6 parsed_2mnq 1
29 D6 217 1 217 6 parsed_2mnq 1
30 T7 224 1 224 6 parsed_2mnq 1
31 S8 231 1 231 6 parsed_2mnq 1
32 S9 238 1 238 6 parsed_2mnq 1
33
;
E10
assign
(resid 10 and name N )
(resid 10 and name CA )
(resid 10 and name C )
(resid 11 and name N ) 1 -26.00 21.00 2
I11
assign
(resid 11 and name N )
(resid 11 and name CA )
(resid 11 and name C )
(resid 12 and name N ) 1 -26.00 21.00 2
T12
assign
(resid 12 and name N )
(resid 12 and name CA )
(resid 12 and name C )
(resid 13 and name N ) 1 -35.59 21.00 2
T13
;
245 1 266 7 parsed_2mnq 1
34 K14 273 1 273 7 parsed_2mnq 1
35 D15 280 1 280 7 parsed_2mnq 1
36 L16 287 1 287 7 parsed_2mnq 1
37 K17 294 1 294 7 parsed_2mnq 1
38 E18 301 1 301 7 parsed_2mnq 1
39 K19 308 1 308 7 parsed_2mnq 1
40 K20 315 1 315 7 parsed_2mnq 1
41 E21 322 1 322 7 parsed_2mnq 1
42 V22 329 1 329 7 parsed_2mnq 1
43 V23 336 1 336 7 parsed_2mnq 1
44 E24 343 1 343 7 parsed_2mnq 1
45 E25 350 1 350 7 parsed_2mnq 1
46 A26 357 1 357 7 parsed_2mnq 1
47 E27 364 1 364 7 parsed_2mnq 1
48 "message=on echo=on" 372 1 372 26 parsed_2mnq 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 end 370 1 370 3 parsed_2mnq 1
stop_
save_
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