NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
33232 |
1hx4   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 29 |
data_1hx4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1hx4
_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_1hx4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1hx4
_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 1hx4 "Master copy" parsed_1hx4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1hx4
_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 1hx4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1hx4 1
1 1hx4.mr . . XPLOR/CNS 2 distance NOE ambi 478 parsed_1hx4 1
1 1hx4.mr . . XPLOR/CNS 3 distance "NOE build-up" simple 0 parsed_1hx4 1
1 1hx4.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 29 parsed_1hx4 1
1 1hx4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1hx4 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1hx4
_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_1hx4 1
2 1 . . . parsed_1hx4 1
3 1 . . . parsed_1hx4 1
4 1 . . . parsed_1hx4 1
5 1 . . . parsed_1hx4 1
6 1 . . . parsed_1hx4 1
7 1 . . . parsed_1hx4 1
8 1 . . . parsed_1hx4 1
9 1 . . . parsed_1hx4 1
10 1 . . . parsed_1hx4 1
11 1 . . . parsed_1hx4 1
12 1 . . . parsed_1hx4 1
13 1 . . . parsed_1hx4 1
14 1 . . . parsed_1hx4 1
15 1 . . . parsed_1hx4 1
16 1 . . . parsed_1hx4 1
17 1 . . . parsed_1hx4 1
18 1 . . . parsed_1hx4 1
19 1 . . . parsed_1hx4 1
20 1 . . . parsed_1hx4 1
21 1 . . . parsed_1hx4 1
22 1 . . . parsed_1hx4 1
23 1 . . . parsed_1hx4 1
24 1 . . . parsed_1hx4 1
25 1 . . . parsed_1hx4 1
26 1 . . . parsed_1hx4 1
27 1 . . . parsed_1hx4 1
28 1 . . . parsed_1hx4 1
29 1 . . . parsed_1hx4 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 . . . . . . . . DNA1 1 . H41 parsed_1hx4 1
1 1 2 . . . . . . . . DNA2 22 . O6 parsed_1hx4 1
2 1 1 . . . . . . . . DNA1 1 . N3 parsed_1hx4 1
2 1 2 . . . . . . . . DNA2 22 . H1 parsed_1hx4 1
3 1 1 . . . . . . . . DNA1 1 . O2 parsed_1hx4 1
3 1 2 . . . . . . . . DNA2 22 . H21 parsed_1hx4 1
4 1 1 . . . . . . . . DNA1 2 . H41 parsed_1hx4 1
4 1 2 . . . . . . . . DNA2 21 . O6 parsed_1hx4 1
5 1 1 . . . . . . . . DNA1 2 . N3 parsed_1hx4 1
5 1 2 . . . . . . . . DNA2 21 . H1 parsed_1hx4 1
6 1 1 . . . . . . . . DNA1 2 . O2 parsed_1hx4 1
6 1 2 . . . . . . . . DNA2 21 . H21 parsed_1hx4 1
7 1 1 . . . . . . . . DNA1 5 . H41 parsed_1hx4 1
7 1 2 . . . . . . . . DNA2 18 . O6 parsed_1hx4 1
8 1 1 . . . . . . . . DNA1 5 . N3 parsed_1hx4 1
8 1 2 . . . . . . . . DNA2 18 . H1 parsed_1hx4 1
9 1 1 . . . . . . . . DNA1 5 . O2 parsed_1hx4 1
9 1 2 . . . . . . . . DNA2 18 . H21 parsed_1hx4 1
10 1 1 . . . . . . . . DNA1 7 . H41 parsed_1hx4 1
10 1 2 . . . . . . . . DNA2 16 . O6 parsed_1hx4 1
11 1 1 . . . . . . . . DNA1 7 . N3 parsed_1hx4 1
11 1 2 . . . . . . . . DNA2 16 . H1 parsed_1hx4 1
12 1 1 . . . . . . . . DNA1 7 . O2 parsed_1hx4 1
12 1 2 . . . . . . . . DNA2 16 . H21 parsed_1hx4 1
13 1 1 . . . . . . . . DNA1 10 . H41 parsed_1hx4 1
13 1 2 . . . . . . . . DNA2 13 . O6 parsed_1hx4 1
14 1 1 . . . . . . . . DNA1 10 . N3 parsed_1hx4 1
14 1 2 . . . . . . . . DNA2 13 . H1 parsed_1hx4 1
15 1 1 . . . . . . . . DNA1 10 . O2 parsed_1hx4 1
15 1 2 . . . . . . . . DNA2 13 . H21 parsed_1hx4 1
16 1 1 . . . . . . . . DNA1 11 . H41 parsed_1hx4 1
16 1 2 . . . . . . . . DNA2 12 . O6 parsed_1hx4 1
17 1 1 . . . . . . . . DNA1 11 . N3 parsed_1hx4 1
17 1 2 . . . . . . . . DNA2 12 . H1 parsed_1hx4 1
18 1 1 . . . . . . . . DNA1 11 . O2 parsed_1hx4 1
18 1 2 . . . . . . . . DNA2 12 . H21 parsed_1hx4 1
19 1 1 . . . . . . . . DNA2 17 . H41 parsed_1hx4 1
19 1 2 . . . . . . . . DNA1 6 . O6 parsed_1hx4 1
20 1 1 . . . . . . . . DNA2 17 . N3 parsed_1hx4 1
20 1 2 . . . . . . . . DNA1 6 . H1 parsed_1hx4 1
21 1 1 . . . . . . . . DNA2 17 . O2 parsed_1hx4 1
21 1 2 . . . . . . . . DNA1 6 . H21 parsed_1hx4 1
22 1 1 . . . . . . . . DNA2 20 . H3 parsed_1hx4 1
22 1 2 . . . . . . . . DNA1 3 . N1 parsed_1hx4 1
23 1 1 . . . . . . . . DNA2 20 . O4 parsed_1hx4 1
23 1 2 . . . . . . . . DNA1 3 . H61 parsed_1hx4 1
24 1 1 . . . . . . . . DNA2 14 . H3 parsed_1hx4 1
24 1 2 . . . . . . . . DNA1 9 . N1 parsed_1hx4 1
25 1 1 . . . . . . . . DNA2 14 . O4 parsed_1hx4 1
25 1 2 . . . . . . . . DNA1 9 . H61 parsed_1hx4 1
26 1 1 . . . . . . . . DNA1 4 . H3 parsed_1hx4 1
26 1 2 . . . . . . . . DNA2 19 . N1 parsed_1hx4 1
27 1 1 . . . . . . . . DNA1 4 . O4 parsed_1hx4 1
27 1 2 . . . . . . . . DNA2 19 . H61 parsed_1hx4 1
28 1 1 . . . . . . . . DNA1 8 . H3 parsed_1hx4 1
28 1 2 . . . . . . . . DNA2 15 . N1 parsed_1hx4 1
29 1 1 . . . . . . . . DNA1 8 . O4 parsed_1hx4 1
29 1 2 . . . . . . . . DNA2 15 . H61 parsed_1hx4 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 . . . . . 1.9 1.75 2.00 parsed_1hx4 1
2 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
3 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
4 1 . . . . . 1.9 1.75 2.00 parsed_1hx4 1
5 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
6 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
7 1 . . . . . 1.9 1.75 2.00 parsed_1hx4 1
8 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
9 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
10 1 . . . . . 1.9 1.75 2.00 parsed_1hx4 1
11 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
12 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
13 1 . . . . . 1.9 1.75 2.00 parsed_1hx4 1
14 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
15 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
16 1 . . . . . 1.9 1.75 2.00 parsed_1hx4 1
17 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
18 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
19 1 . . . . . 1.9 1.75 2.00 parsed_1hx4 1
20 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
21 1 . . . . . 2.0 1.85 2.10 parsed_1hx4 1
22 1 . . . . . 2.1 1.95 2.30 parsed_1hx4 1
23 1 . . . . . 2.0 1.85 2.20 parsed_1hx4 1
24 1 . . . . . 2.1 1.95 2.30 parsed_1hx4 1
25 1 . . . . . 2.0 1.85 2.20 parsed_1hx4 1
26 1 . . . . . 2.1 1.95 2.30 parsed_1hx4 1
27 1 . . . . . 2.0 1.85 2.20 parsed_1hx4 1
28 1 . . . . . 2.1 1.95 2.30 parsed_1hx4 1
29 1 . . . . . 2.0 1.85 2.20 parsed_1hx4 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 BOND CONSTRAINTS #####################
#####################################################################
C1-G22 base pair
;
1 1 5 18 parsed_1hx4 1
2 "C2-G21 base pair" 13 1 13 18 parsed_1hx4 1
3 "C5-G18 base pair" 21 1 21 18 parsed_1hx4 1
4 "C7-G16 base pair" 29 1 29 18 parsed_1hx4 1
5 "C10-G13 base pair" 37 1 37 19 parsed_1hx4 1
6 "C11-G12 base pair" 45 1 45 19 parsed_1hx4 1
7
;
###################################################################
*G6-C17 base pair
;
53 1 54 19 parsed_1hx4 1
8
;
###################################################################
A3-T20 base pair
;
61 1 63 18 parsed_1hx4 1
9 "A9-T14 base pair" 69 1 69 18 parsed_1hx4 1
10 "A19-T4 base pair" 75 1 75 18 parsed_1hx4 1
11 "A15-T8 base pair" 81 1 81 18 parsed_1hx4 1
stop_
save_
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