NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype | item_count |
|
|
30834 |
1dcj   |
4819 | cing | recoord | 2-parsed | STAR | distance | hydrogen bond | simple | 56 |
data_1dcj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1dcj
_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_1dcj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1dcj
_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 1dcj "Master copy" parsed_1dcj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1dcj
_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 1dcj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1dcj 1
1 1dcj.mr . . XPLOR/CNS 2 distance NOE simple 1143 parsed_1dcj 1
1 1dcj.mr . . XPLOR/CNS 3 distance NOE simple 247 parsed_1dcj 1
1 1dcj.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 56 parsed_1dcj 1
1 1dcj.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1dcj 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1dcj
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1dcj 1
2 1 . . . parsed_1dcj 1
3 1 . . . parsed_1dcj 1
4 1 . . . parsed_1dcj 1
5 1 . . . parsed_1dcj 1
6 1 . . . parsed_1dcj 1
7 1 . . . parsed_1dcj 1
8 1 . . . parsed_1dcj 1
9 1 . . . parsed_1dcj 1
10 1 . . . parsed_1dcj 1
11 1 . . . parsed_1dcj 1
12 1 . . . parsed_1dcj 1
13 1 . . . parsed_1dcj 1
14 1 . . . parsed_1dcj 1
15 1 . . . parsed_1dcj 1
16 1 . . . parsed_1dcj 1
17 1 . . . parsed_1dcj 1
18 1 . . . parsed_1dcj 1
19 1 . . . parsed_1dcj 1
20 1 . . . parsed_1dcj 1
21 1 . . . parsed_1dcj 1
22 1 . . . parsed_1dcj 1
23 1 . . . parsed_1dcj 1
24 1 . . . parsed_1dcj 1
25 1 . . . parsed_1dcj 1
26 1 . . . parsed_1dcj 1
27 1 . . . parsed_1dcj 1
28 1 . . . parsed_1dcj 1
29 1 . . . parsed_1dcj 1
30 1 . . . parsed_1dcj 1
31 1 . . . parsed_1dcj 1
32 1 . . . parsed_1dcj 1
33 1 . . . parsed_1dcj 1
34 1 . . . parsed_1dcj 1
35 1 . . . parsed_1dcj 1
36 1 . . . parsed_1dcj 1
37 1 . . . parsed_1dcj 1
38 1 . . . parsed_1dcj 1
39 1 . . . parsed_1dcj 1
40 1 . . . parsed_1dcj 1
41 1 . . . parsed_1dcj 1
42 1 . . . parsed_1dcj 1
43 1 . . . parsed_1dcj 1
44 1 . . . parsed_1dcj 1
45 1 . . . parsed_1dcj 1
46 1 . . . parsed_1dcj 1
47 1 . . . parsed_1dcj 1
48 1 . . . parsed_1dcj 1
49 1 . . . parsed_1dcj 1
50 1 . . . parsed_1dcj 1
51 1 . . . parsed_1dcj 1
52 1 . . . parsed_1dcj 1
53 1 . . . parsed_1dcj 1
54 1 . . . parsed_1dcj 1
55 1 . . . parsed_1dcj 1
56 1 . . . parsed_1dcj 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 10 . n parsed_1dcj 1
1 1 2 . . . . . . . . . 38 . o parsed_1dcj 1
2 1 1 . . . . . . . . . 10 . hn parsed_1dcj 1
2 1 2 . . . . . . . . . 38 . o parsed_1dcj 1
3 1 1 . . . . . . . . . 12 . n parsed_1dcj 1
3 1 2 . . . . . . . . . 40 . o parsed_1dcj 1
4 1 1 . . . . . . . . . 12 . hn parsed_1dcj 1
4 1 2 . . . . . . . . . 40 . o parsed_1dcj 1
5 1 1 . . . . . . . . . 14 . n parsed_1dcj 1
5 1 2 . . . . . . . . . 42 . o parsed_1dcj 1
6 1 1 . . . . . . . . . 14 . hn parsed_1dcj 1
6 1 2 . . . . . . . . . 42 . o parsed_1dcj 1
7 1 1 . . . . . . . . . 40 . n parsed_1dcj 1
7 1 2 . . . . . . . . . 10 . o parsed_1dcj 1
8 1 1 . . . . . . . . . 40 . hn parsed_1dcj 1
8 1 2 . . . . . . . . . 10 . o parsed_1dcj 1
9 1 1 . . . . . . . . . 42 . n parsed_1dcj 1
9 1 2 . . . . . . . . . 12 . o parsed_1dcj 1
10 1 1 . . . . . . . . . 42 . hn parsed_1dcj 1
10 1 2 . . . . . . . . . 12 . o parsed_1dcj 1
11 1 1 . . . . . . . . . 44 . n parsed_1dcj 1
11 1 2 . . . . . . . . . 14 . o parsed_1dcj 1
12 1 1 . . . . . . . . . 44 . hn parsed_1dcj 1
12 1 2 . . . . . . . . . 14 . o parsed_1dcj 1
13 1 1 . . . . . . . . . 45 . n parsed_1dcj 1
13 1 2 . . . . . . . . . 14 . o parsed_1dcj 1
14 1 1 . . . . . . . . . 45 . hn parsed_1dcj 1
14 1 2 . . . . . . . . . 14 . o parsed_1dcj 1
15 1 1 . . . . . . . . . 37 . n parsed_1dcj 1
15 1 2 . . . . . . . . . 79 . o parsed_1dcj 1
16 1 1 . . . . . . . . . 37 . hn parsed_1dcj 1
16 1 2 . . . . . . . . . 79 . o parsed_1dcj 1
17 1 1 . . . . . . . . . 39 . n parsed_1dcj 1
17 1 2 . . . . . . . . . 77 . o parsed_1dcj 1
18 1 1 . . . . . . . . . 39 . hn parsed_1dcj 1
18 1 2 . . . . . . . . . 77 . o parsed_1dcj 1
19 1 1 . . . . . . . . . 41 . n parsed_1dcj 1
19 1 2 . . . . . . . . . 75 . o parsed_1dcj 1
20 1 1 . . . . . . . . . 41 . hn parsed_1dcj 1
20 1 2 . . . . . . . . . 75 . o parsed_1dcj 1
21 1 1 . . . . . . . . . 43 . n parsed_1dcj 1
21 1 2 . . . . . . . . . 73 . o parsed_1dcj 1
22 1 1 . . . . . . . . . 43 . hn parsed_1dcj 1
22 1 2 . . . . . . . . . 73 . o parsed_1dcj 1
23 1 1 . . . . . . . . . 73 . n parsed_1dcj 1
23 1 2 . . . . . . . . . 43 . o parsed_1dcj 1
24 1 1 . . . . . . . . . 73 . hn parsed_1dcj 1
24 1 2 . . . . . . . . . 43 . o parsed_1dcj 1
25 1 1 . . . . . . . . . 75 . n parsed_1dcj 1
25 1 2 . . . . . . . . . 41 . o parsed_1dcj 1
26 1 1 . . . . . . . . . 75 . hn parsed_1dcj 1
26 1 2 . . . . . . . . . 41 . o parsed_1dcj 1
27 1 1 . . . . . . . . . 77 . n parsed_1dcj 1
27 1 2 . . . . . . . . . 39 . o parsed_1dcj 1
28 1 1 . . . . . . . . . 77 . hn parsed_1dcj 1
28 1 2 . . . . . . . . . 39 . o parsed_1dcj 1
29 1 1 . . . . . . . . . 79 . n parsed_1dcj 1
29 1 2 . . . . . . . . . 37 . o parsed_1dcj 1
30 1 1 . . . . . . . . . 79 . hn parsed_1dcj 1
30 1 2 . . . . . . . . . 37 . o parsed_1dcj 1
31 1 1 . . . . . . . . . 74 . n parsed_1dcj 1
31 1 2 . . . . . . . . . 67 . o parsed_1dcj 1
32 1 1 . . . . . . . . . 74 . hn parsed_1dcj 1
32 1 2 . . . . . . . . . 67 . o parsed_1dcj 1
33 1 1 . . . . . . . . . 76 . n parsed_1dcj 1
33 1 2 . . . . . . . . . 65 . o parsed_1dcj 1
34 1 1 . . . . . . . . . 76 . hn parsed_1dcj 1
34 1 2 . . . . . . . . . 65 . o parsed_1dcj 1
35 1 1 . . . . . . . . . 65 . n parsed_1dcj 1
35 1 2 . . . . . . . . . 76 . o parsed_1dcj 1
36 1 1 . . . . . . . . . 65 . hn parsed_1dcj 1
36 1 2 . . . . . . . . . 76 . o parsed_1dcj 1
37 1 1 . . . . . . . . . 67 . n parsed_1dcj 1
37 1 2 . . . . . . . . . 74 . o parsed_1dcj 1
38 1 1 . . . . . . . . . 67 . hn parsed_1dcj 1
38 1 2 . . . . . . . . . 74 . o parsed_1dcj 1
39 1 1 . . . . . . . . . 64 . n parsed_1dcj 1
39 1 2 . . . . . . . . . 76 . o parsed_1dcj 1
40 1 1 . . . . . . . . . 64 . hn parsed_1dcj 1
40 1 2 . . . . . . . . . 76 . o parsed_1dcj 1
41 1 1 . . . . . . . . . 25 . n parsed_1dcj 1
41 1 2 . . . . . . . . . 21 . o parsed_1dcj 1
42 1 1 . . . . . . . . . 25 . hn parsed_1dcj 1
42 1 2 . . . . . . . . . 21 . o parsed_1dcj 1
43 1 1 . . . . . . . . . 26 . n parsed_1dcj 1
43 1 2 . . . . . . . . . 22 . o parsed_1dcj 1
44 1 1 . . . . . . . . . 26 . hn parsed_1dcj 1
44 1 2 . . . . . . . . . 22 . o parsed_1dcj 1
45 1 1 . . . . . . . . . 27 . n parsed_1dcj 1
45 1 2 . . . . . . . . . 23 . o parsed_1dcj 1
46 1 1 . . . . . . . . . 27 . hn parsed_1dcj 1
46 1 2 . . . . . . . . . 23 . o parsed_1dcj 1
47 1 1 . . . . . . . . . 29 . n parsed_1dcj 1
47 1 2 . . . . . . . . . 25 . o parsed_1dcj 1
48 1 1 . . . . . . . . . 29 . hn parsed_1dcj 1
48 1 2 . . . . . . . . . 25 . o parsed_1dcj 1
49 1 1 . . . . . . . . . 30 . n parsed_1dcj 1
49 1 2 . . . . . . . . . 26 . o parsed_1dcj 1
50 1 1 . . . . . . . . . 30 . hn parsed_1dcj 1
50 1 2 . . . . . . . . . 26 . o parsed_1dcj 1
51 1 1 . . . . . . . . . 52 . n parsed_1dcj 1
51 1 2 . . . . . . . . . 48 . o parsed_1dcj 1
52 1 1 . . . . . . . . . 52 . hn parsed_1dcj 1
52 1 2 . . . . . . . . . 48 . o parsed_1dcj 1
53 1 1 . . . . . . . . . 55 . n parsed_1dcj 1
53 1 2 . . . . . . . . . 51 . o parsed_1dcj 1
54 1 1 . . . . . . . . . 55 . hn parsed_1dcj 1
54 1 2 . . . . . . . . . 51 . o parsed_1dcj 1
55 1 1 . . . . . . . . . 55 . n parsed_1dcj 1
55 1 2 . . . . . . . . . 51 . o parsed_1dcj 1
56 1 1 . . . . . . . . . 55 . hn parsed_1dcj 1
56 1 2 . . . . . . . . . 51 . o parsed_1dcj 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
2 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
3 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
4 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
5 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
6 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
7 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
8 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
9 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
10 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
11 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
12 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
13 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
14 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
15 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
16 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
17 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
18 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
19 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
20 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
21 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
22 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
23 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
24 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
25 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
26 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
27 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
28 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
29 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
30 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
31 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
32 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
33 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
34 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
35 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
36 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
37 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
38 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
39 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
40 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
41 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
42 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
43 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
44 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
45 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
46 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
47 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
48 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
49 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
50 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
51 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
52 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
53 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
54 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
55 1 . . . . . 3.3 2.5 3.5 parsed_1dcj 1
56 1 . . . . . 2.3 1.5 2.5 parsed_1dcj 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
!!!!!!!!!!!!!!!!!!!!!!!
! H-bond constraints !!
!!!!!!!!!!!!!!!!!!!!!!!
!b1-strand to b2-strand:
H10 to T38
;
1 1 5 12 parsed_1dcj 1
2 "L12 to L40" 8 1 8 12 parsed_1dcj 1
3 "A14 to I42" 11 1 11 12 parsed_1dcj 1
4
;
!b2-strand to b1 strand
L40 to H10
;
15 1 16 12 parsed_1dcj 1
5 "I42 to L12" 19 1 19 12 parsed_1dcj 1
6 "D44 to A14" 22 1 22 12 parsed_1dcj 1
7 "D45 to A14" 26 1 26 12 parsed_1dcj 1
8
;
! b2-strand to b4-strand
E37 to K79
;
30 1 31 12 parsed_1dcj 1
9 "L39 to I77" 34 1 34 12 parsed_1dcj 1
10 "I41 to Y75" 37 1 37 12 parsed_1dcj 1
11 "A43 to Y73" 40 1 40 12 parsed_1dcj 1
12
;
! b4-strand to b2-strand
Y73 to A43
;
44 1 45 12 parsed_1dcj 1
13 "Y75 to I41" 48 1 48 12 parsed_1dcj 1
14 "I77 to L39" 51 1 51 12 parsed_1dcj 1
15 "K79 to E37" 54 1 54 12 parsed_1dcj 1
16
;
! B4-strand to b3-strand
R74 to E67
;
58 1 59 12 parsed_1dcj 1
17 "!L76 to A65" 62 1 62 13 parsed_1dcj 1
18
;
! b3-strand to b4-strand
A65 to L76
;
66 1 67 12 parsed_1dcj 1
19 "E67 to R74" 70 1 70 12 parsed_1dcj 1
20 "V64 to L76" 74 1 74 12 parsed_1dcj 1
21
;
! a1-helix
M25 to E21
;
78 1 79 12 parsed_1dcj 1
22 "V26 to P22" 82 1 82 12 parsed_1dcj 1
23 "R27 to V23" 85 1 85 12 parsed_1dcj 1
24 "T29 to M25" 88 1 88 12 parsed_1dcj 1
25 "V30 to V26" 91 1 91 12 parsed_1dcj 1
26
;
R31 to R27?
assign (resid 31 and name n)(resid 27 and name o) 3.3 0.8 0.2
assign (resid 31 and name hn)(resid 27 and name o) 2.3 0.8 0.2
! a2-helix
I52 to T48
;
94 1 99 12 parsed_1dcj 1
27 "F55 to D51" 102 1 102 12 parsed_1dcj 1
28 "F55 to D51" 106 1 106 12 parsed_1dcj 1
stop_
save_
Contact the webmaster for help, if required. Monday, April 29, 2024 12:10:05 PM GMT (wattos1)