Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
649428 | 6pk9 RC | 30622 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 34 |
data_6pk9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6pk9
_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_6pk9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6pk9
_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 6pk9 "Master copy" parsed_6pk9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6pk9
_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 6pk9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6pk9 1
1 6pk9.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 34 parsed_6pk9 1
1 6pk9.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_6pk9 1
1 6pk9.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6pk9 1
1 6pk9.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6pk9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6pk9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_6pk9 1
2 1 . . . parsed_6pk9 1
3 1 . . . parsed_6pk9 1
4 1 . . . parsed_6pk9 1
5 1 . . . parsed_6pk9 1
6 1 . . . parsed_6pk9 1
7 1 . . . parsed_6pk9 1
8 1 . . . parsed_6pk9 1
9 1 . . . parsed_6pk9 1
10 1 . . . parsed_6pk9 1
11 1 . . . parsed_6pk9 1
12 1 . . . parsed_6pk9 1
13 1 . . . parsed_6pk9 1
14 1 . . . parsed_6pk9 1
15 1 . . . parsed_6pk9 1
16 1 . . . parsed_6pk9 1
17 1 . . . parsed_6pk9 1
18 1 . . . parsed_6pk9 1
19 1 . . . parsed_6pk9 1
20 1 . . . parsed_6pk9 1
21 1 . . . parsed_6pk9 1
22 1 . . . parsed_6pk9 1
23 1 . . . parsed_6pk9 1
24 1 . . . parsed_6pk9 1
25 1 . . . parsed_6pk9 1
26 1 . . . parsed_6pk9 1
27 1 . . . parsed_6pk9 1
28 1 . . . parsed_6pk9 1
29 1 . . . parsed_6pk9 1
30 1 . . . parsed_6pk9 1
31 1 . . . parsed_6pk9 1
32 1 . . . parsed_6pk9 1
33 1 . . . parsed_6pk9 1
34 1 . . . parsed_6pk9 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 . . . . . . . . . 1 . N1 parsed_6pk9 1
1 1 2 . . . . . . . . . 20 . N3 parsed_6pk9 1
2 1 1 . . . . . . . . . 1 . O6 parsed_6pk9 1
2 1 2 . . . . . . . . . 20 . N4 parsed_6pk9 1
3 1 1 . . . . . . . . . 1 . N2 parsed_6pk9 1
3 1 2 . . . . . . . . . 20 . O2 parsed_6pk9 1
4 1 1 . . . . . . . . . 1 . H1 parsed_6pk9 1
4 1 2 . . . . . . . . . 20 . N3 parsed_6pk9 1
5 1 1 . . . . . . . . . 1 . O6 parsed_6pk9 1
5 1 2 . . . . . . . . . 20 . H41 parsed_6pk9 1
6 1 1 . . . . . . . . . 1 . H21 parsed_6pk9 1
6 1 2 . . . . . . . . . 20 . O2 parsed_6pk9 1
7 1 1 . . . . . . . . . 2 . N1 parsed_6pk9 1
7 1 2 . . . . . . . . . 19 . N3 parsed_6pk9 1
8 1 1 . . . . . . . . . 2 . O6 parsed_6pk9 1
8 1 2 . . . . . . . . . 19 . N4 parsed_6pk9 1
9 1 1 . . . . . . . . . 2 . N2 parsed_6pk9 1
9 1 2 . . . . . . . . . 19 . O2 parsed_6pk9 1
10 1 1 . . . . . . . . . 2 . H1 parsed_6pk9 1
10 1 2 . . . . . . . . . 19 . N3 parsed_6pk9 1
11 1 1 . . . . . . . . . 2 . O6 parsed_6pk9 1
11 1 2 . . . . . . . . . 19 . H41 parsed_6pk9 1
12 1 1 . . . . . . . . . 2 . H21 parsed_6pk9 1
12 1 2 . . . . . . . . . 19 . O2 parsed_6pk9 1
13 1 1 . . . . . . . . . 3 . N1 parsed_6pk9 1
13 1 2 . . . . . . . . . 18 . N3 parsed_6pk9 1
14 1 1 . . . . . . . . . 3 . N6 parsed_6pk9 1
14 1 2 . . . . . . . . . 18 . O4 parsed_6pk9 1
15 1 1 . . . . . . . . . 3 . N1 parsed_6pk9 1
15 1 2 . . . . . . . . . 18 . H3 parsed_6pk9 1
16 1 1 . . . . . . . . . 3 . H61 parsed_6pk9 1
16 1 2 . . . . . . . . . 18 . O4 parsed_6pk9 1
17 1 1 . . . . . . . . . 4 . N1 parsed_6pk9 1
17 1 2 . . . . . . . . . 17 . N3 parsed_6pk9 1
18 1 1 . . . . . . . . . 4 . O6 parsed_6pk9 1
18 1 2 . . . . . . . . . 17 . N4 parsed_6pk9 1
19 1 1 . . . . . . . . . 4 . N2 parsed_6pk9 1
19 1 2 . . . . . . . . . 17 . O2 parsed_6pk9 1
20 1 1 . . . . . . . . . 4 . H1 parsed_6pk9 1
20 1 2 . . . . . . . . . 17 . N3 parsed_6pk9 1
21 1 1 . . . . . . . . . 4 . O6 parsed_6pk9 1
21 1 2 . . . . . . . . . 17 . H41 parsed_6pk9 1
22 1 1 . . . . . . . . . 4 . H21 parsed_6pk9 1
22 1 2 . . . . . . . . . 17 . O2 parsed_6pk9 1
23 1 1 . . . . . . . . . 6 . N1 parsed_6pk9 1
23 1 2 . . . . . . . . . 15 . N3 parsed_6pk9 1
24 1 1 . . . . . . . . . 6 . O6 parsed_6pk9 1
24 1 2 . . . . . . . . . 15 . N4 parsed_6pk9 1
25 1 1 . . . . . . . . . 6 . N2 parsed_6pk9 1
25 1 2 . . . . . . . . . 15 . O2 parsed_6pk9 1
26 1 1 . . . . . . . . . 6 . H1 parsed_6pk9 1
26 1 2 . . . . . . . . . 15 . N3 parsed_6pk9 1
27 1 1 . . . . . . . . . 6 . O6 parsed_6pk9 1
27 1 2 . . . . . . . . . 15 . H41 parsed_6pk9 1
28 1 1 . . . . . . . . . 6 . H21 parsed_6pk9 1
28 1 2 . . . . . . . . . 15 . O2 parsed_6pk9 1
29 1 1 . . . . . . . . . 5 . O6 parsed_6pk9 1
29 1 2 . . . . . . . . . 16 . H3 parsed_6pk9 1
30 1 1 . . . . . . . . . 5 . O6 parsed_6pk9 1
30 1 2 . . . . . . . . . 16 . N3 parsed_6pk9 1
31 1 1 . . . . . . . . . 5 . H1 parsed_6pk9 1
31 1 2 . . . . . . . . . 16 . O2 parsed_6pk9 1
32 1 1 . . . . . . . . . 5 . N1 parsed_6pk9 1
32 1 2 . . . . . . . . . 16 . O2 parsed_6pk9 1
33 1 1 . . . . . . . . . 7 . N3 parsed_6pk9 1
33 1 2 . . . . . . . . . 14 . O6 parsed_6pk9 1
34 1 1 . . . . . . . . . 7 . O2 parsed_6pk9 1
34 1 2 . . . . . . . . . 14 . N1 parsed_6pk9 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 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
2 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
3 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
4 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
5 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
6 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
7 1 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
8 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
9 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
10 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
11 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
12 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
13 1 . . . . . 2.73 2.53 2.93 parsed_6pk9 1
14 1 . . . . . 2.92 2.72 3.12 parsed_6pk9 1
15 1 . . . . . 1.73 1.53 1.93 parsed_6pk9 1
16 1 . . . . . 1.92 1.72 2.12 parsed_6pk9 1
17 1 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
18 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
19 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
20 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
21 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
22 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
23 1 . . . . . 2.95 2.75 3.15 parsed_6pk9 1
24 1 . . . . . 2.91 2.71 3.11 parsed_6pk9 1
25 1 . . . . . 2.86 2.66 3.06 parsed_6pk9 1
26 1 . . . . . 1.95 1.75 2.15 parsed_6pk9 1
27 1 . . . . . 1.91 1.71 2.11 parsed_6pk9 1
28 1 . . . . . 1.86 1.66 2.06 parsed_6pk9 1
29 1 . . . . . 1.9 1.80 2.20 parsed_6pk9 1
30 1 . . . . . 3.0 2.72 3.08 parsed_6pk9 1
31 1 . . . . . 1.9 1.80 2.20 parsed_6pk9 1
32 1 . . . . . 3.0 2.72 3.08 parsed_6pk9 1
33 1 . . . . . 2.95 2.64 3.17 parsed_6pk9 1
34 1 . . . . . 2.95 2.64 3.17 parsed_6pk9 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 restraints
for G1/ C20 base pair
;
2 1 4 26 parsed_6pk9 1
2 "for G2/ C19 base pair" 11 1 11 26 parsed_6pk9 1
3 "for A3/ U18 base pair" 18 1 18 24 parsed_6pk9 1
4 "for G4/ C17 base pair" 23 1 23 26 parsed_6pk9 1
5 "for G6/ C15 base pair" 30 1 30 26 parsed_6pk9 1
6
;
U-G basepair Hydrogen Bonds
for G5/ U16 base pair
;
38 1 40 24 parsed_6pk9 1
7
;
for U7/ G14 base pair
assign (resid 14 and name O6) (resid 7 and name H3) 1.9 0.1 0.30
assign (resid 14 and name O6) (resid 7 and name N3) 3.0 0.28 0.08
assign (resid 14 and name H1) (resid 7 and name O2) 1.9 0.1 0.30
assign (resid 14 and name N1) (resid 7 and name O2) 3.0 0.28 0.08
;
46 1 50 68 parsed_6pk9 1
8 UG516 51 71 51 77 parsed_6pk9 1
9 "UG516# Restraints file 2: D_1000241105_mr_P2.xplor-nih.V1" 52 71 52 129 parsed_6pk9 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "# Restraints file 1: hydrogenbond_LINKA.tbl" 1 1 1 43 parsed_6pk9 1
stop_
save_