NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
43396 |
2aqc   |
6845 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 28 |
data_2aqc_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2aqc
_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_2aqc 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2aqc
_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 2aqc "Master copy" parsed_2aqc
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2aqc
_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 2aqc.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1
1 2aqc.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 3 distance NOE simple 1048 parsed_2aqc 1
1 2aqc.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 28 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 6 distance "general distance" simple 14 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 28 parsed_2aqc 1
1 2aqc.mr . . DYANA/DIANA 8 distance "general distance" simple 0 parsed_2aqc 1
1 2aqc.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2aqc 1
stop_
save_
save_DYANA/DIANA_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2aqc
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_2aqc 1
2 1 . . . parsed_2aqc 1
3 1 . . . parsed_2aqc 1
4 1 . . . parsed_2aqc 1
5 1 . . . parsed_2aqc 1
6 1 . . . parsed_2aqc 1
7 1 . . . parsed_2aqc 1
8 1 . . . parsed_2aqc 1
9 1 . . . parsed_2aqc 1
10 1 . . . parsed_2aqc 1
11 1 . . . parsed_2aqc 1
12 1 . . . parsed_2aqc 1
13 1 . . . parsed_2aqc 1
14 1 . . . parsed_2aqc 1
15 1 . . . parsed_2aqc 1
16 1 . . . parsed_2aqc 1
17 1 . . . parsed_2aqc 1
18 1 . . . parsed_2aqc 1
19 1 . . . parsed_2aqc 1
20 1 . . . parsed_2aqc 1
21 1 . . . parsed_2aqc 1
22 1 . . . parsed_2aqc 1
23 1 . . . parsed_2aqc 1
24 1 . . . parsed_2aqc 1
25 1 . . . parsed_2aqc 1
26 1 . . . parsed_2aqc 1
27 1 . . . parsed_2aqc 1
28 1 . . . parsed_2aqc 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 . . . . . . . . . 7 LYS H parsed_2aqc 1
1 1 2 . . . . . . . . . 16 THR O parsed_2aqc 1
2 1 1 . . . . . . . . . 7 LYS N parsed_2aqc 1
2 1 2 . . . . . . . . . 16 THR O parsed_2aqc 1
3 1 1 . . . . . . . . . 8 LYS H parsed_2aqc 1
3 1 2 . . . . . . . . . 29 VAL O parsed_2aqc 1
4 1 1 . . . . . . . . . 8 LYS N parsed_2aqc 1
4 1 2 . . . . . . . . . 29 VAL O parsed_2aqc 1
5 1 1 . . . . . . . . . 9 CYS- H parsed_2aqc 1
5 1 2 . . . . . . . . . 14 LEU O parsed_2aqc 1
6 1 1 . . . . . . . . . 9 CYS- N parsed_2aqc 1
6 1 2 . . . . . . . . . 14 LEU O parsed_2aqc 1
7 1 1 . . . . . . . . . 9 CYS- SG parsed_2aqc 1
7 1 2 . . . . . . . . . 11 LYS H parsed_2aqc 1
8 1 1 . . . . . . . . . 9 CYS- SG parsed_2aqc 1
8 1 2 . . . . . . . . . 11 LYS N parsed_2aqc 1
9 1 1 . . . . . . . . . 9 CYS- SG parsed_2aqc 1
9 1 2 . . . . . . . . . 12 CYS- H parsed_2aqc 1
10 1 1 . . . . . . . . . 9 CYS- SG parsed_2aqc 1
10 1 2 . . . . . . . . . 12 CYS- N parsed_2aqc 1
11 1 1 . . . . . . . . . 7 LYS O parsed_2aqc 1
11 1 2 . . . . . . . . . 16 THR H parsed_2aqc 1
12 1 1 . . . . . . . . . 7 LYS O parsed_2aqc 1
12 1 2 . . . . . . . . . 16 THR N parsed_2aqc 1
13 1 1 . . . . . . . . . 16 THR OG1 parsed_2aqc 1
13 1 2 . . . . . . . . . 18 LYS H parsed_2aqc 1
14 1 1 . . . . . . . . . 16 THR OG1 parsed_2aqc 1
14 1 2 . . . . . . . . . 18 LYS N parsed_2aqc 1
15 1 1 . . . . . . . . . 18 LYS O parsed_2aqc 1
15 1 2 . . . . . . . . . 20 ILE H parsed_2aqc 1
16 1 1 . . . . . . . . . 18 LYS O parsed_2aqc 1
16 1 2 . . . . . . . . . 20 ILE N parsed_2aqc 1
17 1 1 . . . . . . . . . 21 CYS- H parsed_2aqc 1
17 1 2 . . . . . . . . . 26 GLU O parsed_2aqc 1
18 1 1 . . . . . . . . . 21 CYS- N parsed_2aqc 1
18 1 2 . . . . . . . . . 26 GLU O parsed_2aqc 1
19 1 1 . . . . . . . . . 21 CYS- SG parsed_2aqc 1
19 1 2 . . . . . . . . . 23 LYS H parsed_2aqc 1
20 1 1 . . . . . . . . . 21 CYS- SG parsed_2aqc 1
20 1 2 . . . . . . . . . 23 LYS N parsed_2aqc 1
21 1 1 . . . . . . . . . 21 CYS- SG parsed_2aqc 1
21 1 2 . . . . . . . . . 24 CYS- H parsed_2aqc 1
22 1 1 . . . . . . . . . 21 CYS- SG parsed_2aqc 1
22 1 2 . . . . . . . . . 24 CYS- N parsed_2aqc 1
23 1 1 . . . . . . . . . 24 CYS- SG parsed_2aqc 1
23 1 2 . . . . . . . . . 25 GLY H parsed_2aqc 1
24 1 1 . . . . . . . . . 24 CYS- SG parsed_2aqc 1
24 1 2 . . . . . . . . . 25 GLY N parsed_2aqc 1
25 1 1 . . . . . . . . . 19 GLU O parsed_2aqc 1
25 1 2 . . . . . . . . . 28 THR H parsed_2aqc 1
26 1 1 . . . . . . . . . 19 GLU O parsed_2aqc 1
26 1 2 . . . . . . . . . 28 THR N parsed_2aqc 1
27 1 1 . . . . . . . . . 8 LYS O parsed_2aqc 1
27 1 2 . . . . . . . . . 29 VAL H parsed_2aqc 1
28 1 1 . . . . . . . . . 8 LYS O parsed_2aqc 1
28 1 2 . . . . . . . . . 29 VAL N parsed_2aqc 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 . . . . . . 1.80 . parsed_2aqc 1
2 1 . . . . . . 2.70 . parsed_2aqc 1
3 1 . . . . . . 1.80 . parsed_2aqc 1
4 1 . . . . . . 2.70 . parsed_2aqc 1
5 1 . . . . . . 1.80 . parsed_2aqc 1
6 1 . . . . . . 2.70 . parsed_2aqc 1
7 1 . . . . . . 1.80 . parsed_2aqc 1
8 1 . . . . . . 2.70 . parsed_2aqc 1
9 1 . . . . . . 1.80 . parsed_2aqc 1
10 1 . . . . . . 2.70 . parsed_2aqc 1
11 1 . . . . . . 1.80 . parsed_2aqc 1
12 1 . . . . . . 2.70 . parsed_2aqc 1
13 1 . . . . . . 1.80 . parsed_2aqc 1
14 1 . . . . . . 2.70 . parsed_2aqc 1
15 1 . . . . . . 1.80 . parsed_2aqc 1
16 1 . . . . . . 2.70 . parsed_2aqc 1
17 1 . . . . . . 1.80 . parsed_2aqc 1
18 1 . . . . . . 2.70 . parsed_2aqc 1
19 1 . . . . . . 1.80 . parsed_2aqc 1
20 1 . . . . . . 2.70 . parsed_2aqc 1
21 1 . . . . . . 1.80 . parsed_2aqc 1
22 1 . . . . . . 2.70 . parsed_2aqc 1
23 1 . . . . . . 1.80 . parsed_2aqc 1
24 1 . . . . . . 2.70 . parsed_2aqc 1
25 1 . . . . . . 1.80 . parsed_2aqc 1
26 1 . . . . . . 2.70 . parsed_2aqc 1
27 1 . . . . . . 1.80 . parsed_2aqc 1
28 1 . . . . . . 2.70 . parsed_2aqc 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 "################################################################" 3 1 3 66 parsed_2aqc 1
2 "################################################################" 4 1 4 66 parsed_2aqc 1
3 "CYANA LOWER LIMIT RESTRAINTS (USED AS SEPERATE INPUT IN CYANA)##" 6 1 6 66 parsed_2aqc 1
4 "################################################################" 8 1 8 66 parsed_2aqc 1
5 "################################################################" 9 1 9 66 parsed_2aqc 1
6 "Lower Limit Restraints: mjnop10 hbond restraints" 12 1 12 50 parsed_2aqc 1
7 apB-sheet 14 27 14 36 parsed_2aqc 1
8 apB-sheet 15 27 15 36 parsed_2aqc 1
9 apB-sheet 16 27 16 36 parsed_2aqc 1
10 apB-sheet 17 27 17 36 parsed_2aqc 1
11 apB-sheet 18 28 18 37 parsed_2aqc 1
12 apB-sheet 19 28 19 37 parsed_2aqc 1
13 Zn-knuckle 20 29 20 39 parsed_2aqc 1
14 Zn-knuckle 21 29 21 39 parsed_2aqc 1
15 Zn-knuckle 22 30 22 40 parsed_2aqc 1
16 Zn-knuckle 23 30 23 40 parsed_2aqc 1
17 apB-sheet 24 27 24 36 parsed_2aqc 1
18 apB-sheet 25 27 25 36 parsed_2aqc 1
19 "turn II" 26 30 26 37 parsed_2aqc 1
20 "turn II" 27 30 27 37 parsed_2aqc 1
21 "turn II" 28 28 28 35 parsed_2aqc 1
22 "turn II" 29 28 29 35 parsed_2aqc 1
23 apB-sheet 30 29 30 38 parsed_2aqc 1
24 apB-sheet 31 29 31 38 parsed_2aqc 1
25 Zn-knuckle 32 30 32 40 parsed_2aqc 1
26 Zn-knuckle 33 30 33 40 parsed_2aqc 1
27 Zn-knuckle 34 31 34 41 parsed_2aqc 1
28 Zn-knuckle 35 31 35 41 parsed_2aqc 1
29 apB-sheet 36 30 36 39 parsed_2aqc 1
30 apB-sheet 37 30 37 39 parsed_2aqc 1
31 apB-sheet 38 28 38 37 parsed_2aqc 1
32 apB-sheet 39 28 39 37 parsed_2aqc 1
33 apB-sheet 40 27 40 36 parsed_2aqc 1
34 apB-sheet 41 27 41 36 parsed_2aqc 1
stop_
save_
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