NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
43339 |
2al3   |
6761 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 64 |
data_2al3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2al3
_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_2al3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2al3
_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 2al3 "Master copy" parsed_2al3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2al3
_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 2al3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2al3 1
1 2al3.mr . . DYANA/DIANA 2 distance NOE simple 1080 parsed_2al3 1
1 2al3.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 64 parsed_2al3 1
1 2al3.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2al3 1
1 2al3.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2al3 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2al3
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_2al3 1
2 1 . . . parsed_2al3 1
3 1 . . . parsed_2al3 1
4 1 . . . parsed_2al3 1
5 1 . . . parsed_2al3 1
6 1 . . . parsed_2al3 1
7 1 . . . parsed_2al3 1
8 1 . . . parsed_2al3 1
9 1 . . . parsed_2al3 1
10 1 . . . parsed_2al3 1
11 1 . . . parsed_2al3 1
12 1 . . . parsed_2al3 1
13 1 . . . parsed_2al3 1
14 1 . . . parsed_2al3 1
15 1 . . . parsed_2al3 1
16 1 . . . parsed_2al3 1
17 1 . . . parsed_2al3 1
18 1 . . . parsed_2al3 1
19 1 . . . parsed_2al3 1
20 1 . . . parsed_2al3 1
21 1 . . . parsed_2al3 1
22 1 . . . parsed_2al3 1
23 1 . . . parsed_2al3 1
24 1 . . . parsed_2al3 1
25 1 . . . parsed_2al3 1
26 1 . . . parsed_2al3 1
27 1 . . . parsed_2al3 1
28 1 . . . parsed_2al3 1
29 1 . . . parsed_2al3 1
30 1 . . . parsed_2al3 1
31 1 . . . parsed_2al3 1
32 1 . . . parsed_2al3 1
33 1 . . . parsed_2al3 1
34 1 . . . parsed_2al3 1
35 1 . . . parsed_2al3 1
36 1 . . . parsed_2al3 1
37 1 . . . parsed_2al3 1
38 1 . . . parsed_2al3 1
39 1 . . . parsed_2al3 1
40 1 . . . parsed_2al3 1
41 1 . . . parsed_2al3 1
42 1 . . . parsed_2al3 1
43 1 . . . parsed_2al3 1
44 1 . . . parsed_2al3 1
45 1 . . . parsed_2al3 1
46 1 . . . parsed_2al3 1
47 1 . . . parsed_2al3 1
48 1 . . . parsed_2al3 1
49 1 . . . parsed_2al3 1
50 1 . . . parsed_2al3 1
51 1 . . . parsed_2al3 1
52 1 . . . parsed_2al3 1
53 1 . . . parsed_2al3 1
54 1 . . . parsed_2al3 1
55 1 . . . parsed_2al3 1
56 1 . . . parsed_2al3 1
57 1 . . . parsed_2al3 1
58 1 . . . parsed_2al3 1
59 1 . . . parsed_2al3 1
60 1 . . . parsed_2al3 1
61 1 . . . parsed_2al3 1
62 1 . . . parsed_2al3 1
63 1 . . . parsed_2al3 1
64 1 . . . parsed_2al3 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 . . . . . . . . . 32 LEU O parsed_2al3 1
1 1 2 . . . . . . . . . 36 LEU HN parsed_2al3 1
2 1 1 . . . . . . . . . 32 LEU O parsed_2al3 1
2 1 2 . . . . . . . . . 36 LEU N parsed_2al3 1
3 1 1 . . . . . . . . . 33 LEU O parsed_2al3 1
3 1 2 . . . . . . . . . 37 GLU- HN parsed_2al3 1
4 1 1 . . . . . . . . . 33 LEU O parsed_2al3 1
4 1 2 . . . . . . . . . 37 GLU- N parsed_2al3 1
5 1 1 . . . . . . . . . 34 GLN O parsed_2al3 1
5 1 2 . . . . . . . . . 38 ASP- HN parsed_2al3 1
6 1 1 . . . . . . . . . 34 GLN O parsed_2al3 1
6 1 2 . . . . . . . . . 38 ASP- N parsed_2al3 1
7 1 1 . . . . . . . . . 35 VAL O parsed_2al3 1
7 1 2 . . . . . . . . . 39 THR HN parsed_2al3 1
8 1 1 . . . . . . . . . 35 VAL O parsed_2al3 1
8 1 2 . . . . . . . . . 39 THR N parsed_2al3 1
9 1 1 . . . . . . . . . 36 LEU O parsed_2al3 1
9 1 2 . . . . . . . . . 40 CYS HN parsed_2al3 1
10 1 1 . . . . . . . . . 36 LEU O parsed_2al3 1
10 1 2 . . . . . . . . . 40 CYS N parsed_2al3 1
11 1 1 . . . . . . . . . 37 GLU- O parsed_2al3 1
11 1 2 . . . . . . . . . 41 ARG+ HN parsed_2al3 1
12 1 1 . . . . . . . . . 37 GLU- O parsed_2al3 1
12 1 2 . . . . . . . . . 41 ARG+ N parsed_2al3 1
13 1 1 . . . . . . . . . 38 ASP- O parsed_2al3 1
13 1 2 . . . . . . . . . 42 ARG+ HN parsed_2al3 1
14 1 1 . . . . . . . . . 38 ASP- O parsed_2al3 1
14 1 2 . . . . . . . . . 42 ARG+ N parsed_2al3 1
15 1 1 . . . . . . . . . 46 ASN O parsed_2al3 1
15 1 2 . . . . . . . . . 49 GLU- HN parsed_2al3 1
16 1 1 . . . . . . . . . 46 ASN O parsed_2al3 1
16 1 2 . . . . . . . . . 49 GLU- N parsed_2al3 1
17 1 1 . . . . . . . . . 47 PRO O parsed_2al3 1
17 1 2 . . . . . . . . . 50 TYR HN parsed_2al3 1
18 1 1 . . . . . . . . . 47 PRO O parsed_2al3 1
18 1 2 . . . . . . . . . 50 TYR N parsed_2al3 1
19 1 1 . . . . . . . . . 64 GLN O parsed_2al3 1
19 1 2 . . . . . . . . . 68 ALA HN parsed_2al3 1
20 1 1 . . . . . . . . . 64 GLN O parsed_2al3 1
20 1 2 . . . . . . . . . 68 ALA N parsed_2al3 1
21 1 1 . . . . . . . . . 65 TRP O parsed_2al3 1
21 1 2 . . . . . . . . . 69 ASN HN parsed_2al3 1
22 1 1 . . . . . . . . . 65 TRP O parsed_2al3 1
22 1 2 . . . . . . . . . 69 ASN N parsed_2al3 1
23 1 1 . . . . . . . . . 24 VAL O parsed_2al3 1
23 1 2 . . . . . . . . . 12 VAL HN parsed_2al3 1
24 1 1 . . . . . . . . . 24 VAL O parsed_2al3 1
24 1 2 . . . . . . . . . 12 VAL N parsed_2al3 1
25 1 1 . . . . . . . . . 24 VAL HN parsed_2al3 1
25 1 2 . . . . . . . . . 12 VAL O parsed_2al3 1
26 1 1 . . . . . . . . . 24 VAL O parsed_2al3 1
26 1 2 . . . . . . . . . 12 VAL O parsed_2al3 1
27 1 1 . . . . . . . . . 22 HIS O parsed_2al3 1
27 1 2 . . . . . . . . . 14 VAL HN parsed_2al3 1
28 1 1 . . . . . . . . . 22 HIS O parsed_2al3 1
28 1 2 . . . . . . . . . 14 VAL N parsed_2al3 1
29 1 1 . . . . . . . . . 22 HIS HN parsed_2al3 1
29 1 2 . . . . . . . . . 14 VAL O parsed_2al3 1
30 1 1 . . . . . . . . . 22 HIS N parsed_2al3 1
30 1 2 . . . . . . . . . 14 VAL O parsed_2al3 1
31 1 1 . . . . . . . . . 20 ARG+ O parsed_2al3 1
31 1 2 . . . . . . . . . 16 ALA HN parsed_2al3 1
32 1 1 . . . . . . . . . 20 ARG+ O parsed_2al3 1
32 1 2 . . . . . . . . . 16 ALA N parsed_2al3 1
33 1 1 . . . . . . . . . 20 ARG+ HN parsed_2al3 1
33 1 2 . . . . . . . . . 16 ALA O parsed_2al3 1
34 1 1 . . . . . . . . . 20 ARG+ N parsed_2al3 1
34 1 2 . . . . . . . . . 16 ALA O parsed_2al3 1
35 1 1 . . . . . . . . . 11 ALA O parsed_2al3 1
35 1 2 . . . . . . . . . 74 ALA HN parsed_2al3 1
36 1 1 . . . . . . . . . 11 ALA O parsed_2al3 1
36 1 2 . . . . . . . . . 74 ALA N parsed_2al3 1
37 1 1 . . . . . . . . . 13 SER HN parsed_2al3 1
37 1 2 . . . . . . . . . 74 ALA O parsed_2al3 1
38 1 1 . . . . . . . . . 13 SER N parsed_2al3 1
38 1 2 . . . . . . . . . 74 ALA O parsed_2al3 1
39 1 1 . . . . . . . . . 13 SER O parsed_2al3 1
39 1 2 . . . . . . . . . 76 LEU HN parsed_2al3 1
40 1 1 . . . . . . . . . 13 SER O parsed_2al3 1
40 1 2 . . . . . . . . . 76 LEU N parsed_2al3 1
41 1 1 . . . . . . . . . 15 LEU HN parsed_2al3 1
41 1 2 . . . . . . . . . 76 LEU O parsed_2al3 1
42 1 1 . . . . . . . . . 15 LEU N parsed_2al3 1
42 1 2 . . . . . . . . . 76 LEU O parsed_2al3 1
43 1 1 . . . . . . . . . 15 LEU O parsed_2al3 1
43 1 2 . . . . . . . . . 78 MET HN parsed_2al3 1
44 1 1 . . . . . . . . . 15 LEU O parsed_2al3 1
44 1 2 . . . . . . . . . 78 MET N parsed_2al3 1
45 1 1 . . . . . . . . . 81 VAL O parsed_2al3 1
45 1 2 . . . . . . . . . 49 GLU- HN parsed_2al3 1
46 1 1 . . . . . . . . . 81 VAL O parsed_2al3 1
46 1 2 . . . . . . . . . 49 GLU- N parsed_2al3 1
47 1 1 . . . . . . . . . 81 VAL HN parsed_2al3 1
47 1 2 . . . . . . . . . 49 GLU- O parsed_2al3 1
48 1 1 . . . . . . . . . 81 VAL N parsed_2al3 1
48 1 2 . . . . . . . . . 49 GLU- O parsed_2al3 1
49 1 1 . . . . . . . . . 79 VAL O parsed_2al3 1
49 1 2 . . . . . . . . . 51 ASP- HN parsed_2al3 1
50 1 1 . . . . . . . . . 79 VAL O parsed_2al3 1
50 1 2 . . . . . . . . . 51 ASP- N parsed_2al3 1
51 1 1 . . . . . . . . . 79 VAL HN parsed_2al3 1
51 1 2 . . . . . . . . . 51 ASP- O parsed_2al3 1
52 1 1 . . . . . . . . . 79 VAL N parsed_2al3 1
52 1 2 . . . . . . . . . 51 ASP- O parsed_2al3 1
53 1 1 . . . . . . . . . 77 GLU- O parsed_2al3 1
53 1 2 . . . . . . . . . 53 LYS+ HN parsed_2al3 1
54 1 1 . . . . . . . . . 77 GLU- O parsed_2al3 1
54 1 2 . . . . . . . . . 53 LYS+ N parsed_2al3 1
55 1 1 . . . . . . . . . 77 GLU- HN parsed_2al3 1
55 1 2 . . . . . . . . . 53 LYS+ O parsed_2al3 1
56 1 1 . . . . . . . . . 77 GLU- N parsed_2al3 1
56 1 2 . . . . . . . . . 53 LYS+ O parsed_2al3 1
57 1 1 . . . . . . . . . 54 PHE O parsed_2al3 1
57 1 2 . . . . . . . . . 57 THR HN parsed_2al3 1
58 1 1 . . . . . . . . . 54 PHE O parsed_2al3 1
58 1 2 . . . . . . . . . 57 THR N parsed_2al3 1
59 1 1 . . . . . . . . . 54 PHE HN parsed_2al3 1
59 1 2 . . . . . . . . . 57 THR O parsed_2al3 1
60 1 1 . . . . . . . . . 54 PHE N parsed_2al3 1
60 1 2 . . . . . . . . . 57 THR O parsed_2al3 1
61 1 1 . . . . . . . . . 52 LEU O parsed_2al3 1
61 1 2 . . . . . . . . . 59 LEU HN parsed_2al3 1
62 1 1 . . . . . . . . . 52 LEU O parsed_2al3 1
62 1 2 . . . . . . . . . 59 LEU N parsed_2al3 1
63 1 1 . . . . . . . . . 52 LEU HN parsed_2al3 1
63 1 2 . . . . . . . . . 59 LEU O parsed_2al3 1
64 1 1 . . . . . . . . . 52 LEU N parsed_2al3 1
64 1 2 . . . . . . . . . 59 LEU O parsed_2al3 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 . . . . . . . 2.00 parsed_2al3 1
2 1 . . . . . . . 3.00 parsed_2al3 1
3 1 . . . . . . . 2.00 parsed_2al3 1
4 1 . . . . . . . 3.00 parsed_2al3 1
5 1 . . . . . . . 2.00 parsed_2al3 1
6 1 . . . . . . . 3.00 parsed_2al3 1
7 1 . . . . . . . 2.00 parsed_2al3 1
8 1 . . . . . . . 3.00 parsed_2al3 1
9 1 . . . . . . . 2.00 parsed_2al3 1
10 1 . . . . . . . 3.00 parsed_2al3 1
11 1 . . . . . . . 2.00 parsed_2al3 1
12 1 . . . . . . . 3.00 parsed_2al3 1
13 1 . . . . . . . 2.00 parsed_2al3 1
14 1 . . . . . . . 3.00 parsed_2al3 1
15 1 . . . . . . . 2.50 parsed_2al3 1
16 1 . . . . . . . 3.50 parsed_2al3 1
17 1 . . . . . . . 2.00 parsed_2al3 1
18 1 . . . . . . . 3.00 parsed_2al3 1
19 1 . . . . . . . 2.00 parsed_2al3 1
20 1 . . . . . . . 3.00 parsed_2al3 1
21 1 . . . . . . . 2.00 parsed_2al3 1
22 1 . . . . . . . 3.00 parsed_2al3 1
23 1 . . . . . . . 2.00 parsed_2al3 1
24 1 . . . . . . . 3.00 parsed_2al3 1
25 1 . . . . . . . 2.00 parsed_2al3 1
26 1 . . . . . . . 3.00 parsed_2al3 1
27 1 . . . . . . . 2.00 parsed_2al3 1
28 1 . . . . . . . 3.00 parsed_2al3 1
29 1 . . . . . . . 2.00 parsed_2al3 1
30 1 . . . . . . . 3.00 parsed_2al3 1
31 1 . . . . . . . 2.00 parsed_2al3 1
32 1 . . . . . . . 3.00 parsed_2al3 1
33 1 . . . . . . . 2.50 parsed_2al3 1
34 1 . . . . . . . 3.50 parsed_2al3 1
35 1 . . . . . . . 3.00 parsed_2al3 1
36 1 . . . . . . . 2.50 parsed_2al3 1
37 1 . . . . . . . 2.00 parsed_2al3 1
38 1 . . . . . . . 3.00 parsed_2al3 1
39 1 . . . . . . . 2.00 parsed_2al3 1
40 1 . . . . . . . 3.00 parsed_2al3 1
41 1 . . . . . . . 2.00 parsed_2al3 1
42 1 . . . . . . . 3.00 parsed_2al3 1
43 1 . . . . . . . 2.00 parsed_2al3 1
44 1 . . . . . . . 3.00 parsed_2al3 1
45 1 . . . . . . . 3.00 parsed_2al3 1
46 1 . . . . . . . 3.00 parsed_2al3 1
47 1 . . . . . . . 2.00 parsed_2al3 1
48 1 . . . . . . . 3.00 parsed_2al3 1
49 1 . . . . . . . 2.00 parsed_2al3 1
50 1 . . . . . . . 3.00 parsed_2al3 1
51 1 . . . . . . . 2.00 parsed_2al3 1
52 1 . . . . . . . 3.00 parsed_2al3 1
53 1 . . . . . . . 2.00 parsed_2al3 1
54 1 . . . . . . . 3.00 parsed_2al3 1
55 1 . . . . . . . 2.00 parsed_2al3 1
56 1 . . . . . . . 3.00 parsed_2al3 1
57 1 . . . . . . . 2.00 parsed_2al3 1
58 1 . . . . . . . 3.00 parsed_2al3 1
59 1 . . . . . . . 2.00 parsed_2al3 1
60 1 . . . . . . . 3.00 parsed_2al3 1
61 1 . . . . . . . 2.00 parsed_2al3 1
62 1 . . . . . . . 3.00 parsed_2al3 1
63 1 . . . . . . . 2.00 parsed_2al3 1
64 1 . . . . . . . 3.00 parsed_2al3 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 "Hydrogen-bonding restraints" 1 1 1 29 parsed_2al3 1
2 "Helix 1" 2 1 2 9 parsed_2al3 1
3 "3-10 Helix" 17 1 17 12 parsed_2al3 1
4 "mini alpha helix" 22 1 22 18 parsed_2al3 1
5 "Strands 2 - 1" 27 1 27 15 parsed_2al3 1
6 "Strands 1 - 5" 40 1 40 15 parsed_2al3 1
7 "Strands 5 - 3" 51 1 51 15 parsed_2al3 1
8 "Strands 3 - 4" 64 1 64 15 parsed_2al3 1
stop_
save_
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