NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
39960 |
1u6p   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 22 |
data_1u6p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1u6p
_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_1u6p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1u6p
_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 1u6p "Master copy" parsed_1u6p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1u6p
_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 1u6p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 3 sequence "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 5 distance "general distance" simple 12 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 27 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 7 distance NOE simple 125 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 8 distance "general distance" simple 41 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 9 distance "hydrogen bond" simple 22 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 10 distance NOE simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 11 distance "general distance" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 12 distance "hydrogen bond" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 13 distance NOE simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 14 distance "general distance" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 15 distance "hydrogen bond" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 16 distance NOE simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 17 distance "general distance" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 18 distance "hydrogen bond" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 19 distance NOE simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 20 distance "general distance" simple 0 parsed_1u6p 1
1 1u6p.mr . . n/a 21 comment "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 22 distance "general distance" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 23 distance "hydrogen bond" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 24 distance "general distance" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 25 distance "hydrogen bond" simple 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 26 distance "general distance" simple 0 parsed_1u6p 1
1 1u6p.mr . . n/a 27 comment "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 28 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . n/a 29 comment "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . DYANA/DIANA 30 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_1u6p 1
1 1u6p.mr . . "MR format" 31 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1u6p 1
stop_
save_
save_DYANA/DIANA_distance_constraints_9
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1u6p
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 9
_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_1u6p 1
2 1 . . . parsed_1u6p 1
3 1 . . . parsed_1u6p 1
4 1 . . . parsed_1u6p 1
5 1 . . . parsed_1u6p 1
6 1 . . . parsed_1u6p 1
7 1 . . . parsed_1u6p 1
8 1 . . . parsed_1u6p 1
9 1 . . . parsed_1u6p 1
10 1 . . . parsed_1u6p 1
11 1 . . . parsed_1u6p 1
12 1 . . . parsed_1u6p 1
13 1 . . . parsed_1u6p 1
14 1 . . . parsed_1u6p 1
15 1 . . . parsed_1u6p 1
16 1 . . . parsed_1u6p 1
17 1 . . . parsed_1u6p 1
18 1 . . . parsed_1u6p 1
19 1 . . . parsed_1u6p 1
20 1 . . . parsed_1u6p 1
21 1 . . . parsed_1u6p 1
22 1 . . . parsed_1u6p 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 . . . . . . . . . 309 RGUA O6 parsed_1u6p 1
1 1 2 . . . . . . . . . 27 ALA HN parsed_1u6p 1
2 1 1 . . . . . . . . . 309 RGUA O6 parsed_1u6p 1
2 1 2 . . . . . . . . . 27 ALA N parsed_1u6p 1
3 1 1 . . . . . . . . . 309 RGUA O6 parsed_1u6p 1
3 1 2 . . . . . . . . . 36 ALA HN parsed_1u6p 1
4 1 1 . . . . . . . . . 309 RGUA O6 parsed_1u6p 1
4 1 2 . . . . . . . . . 36 ALA N parsed_1u6p 1
5 1 1 . . . . . . . . . 309 RGUA H1 parsed_1u6p 1
5 1 2 . . . . . . . . . 25 GLN O parsed_1u6p 1
6 1 1 . . . . . . . . . 309 RGUA N1 parsed_1u6p 1
6 1 2 . . . . . . . . . 25 GLN O parsed_1u6p 1
7 1 1 . . . . . . . . . 309 RGUA H21 parsed_1u6p 1
7 1 2 . . . . . . . . . 25 GLN O parsed_1u6p 1
8 1 1 . . . . . . . . . 309 RGUA N2 parsed_1u6p 1
8 1 2 . . . . . . . . . 25 GLN O parsed_1u6p 1
9 1 1 . . . . . . . . . 309 RGUA H22 parsed_1u6p 1
9 1 2 . . . . . . . . . 22 ASP- O parsed_1u6p 1
10 1 1 . . . . . . . . . 309 RGUA O2' parsed_1u6p 1
10 1 2 . . . . . . . . . 23 ARG HH21 parsed_1u6p 1
11 1 1 . . . . . . . . . 309 RGUA O2' parsed_1u6p 1
11 1 2 . . . . . . . . . 23 ARG NH2 parsed_1u6p 1
12 1 1 . . . . . . . . . 308 URA O4 parsed_1u6p 1
12 1 2 . . . . . . . . . 30 LYS HZ2 parsed_1u6p 1
13 1 1 . . . . . . . . . 308 URA O4 parsed_1u6p 1
13 1 2 . . . . . . . . . 30 LYS NZ parsed_1u6p 1
14 1 1 . . . . . . . . . 308 URA O2' parsed_1u6p 1
14 1 2 . . . . . . . . . 18 ARG HE parsed_1u6p 1
15 1 1 . . . . . . . . . 308 URA O2' parsed_1u6p 1
15 1 2 . . . . . . . . . 18 ARG NE parsed_1u6p 1
16 1 1 . . . . . . . . . 308 URA OP2 parsed_1u6p 1
16 1 2 . . . . . . . . . 37 LYS NZ parsed_1u6p 1
17 1 1 . . . . . . . . . 307 RCYT O2 parsed_1u6p 1
17 1 2 . . . . . . . . . 42 LYS HZ1 parsed_1u6p 1
18 1 1 . . . . . . . . . 307 RCYT O2 parsed_1u6p 1
18 1 2 . . . . . . . . . 42 LYS NZ parsed_1u6p 1
19 1 1 . . . . . . . . . 307 RCYT N3 parsed_1u6p 1
19 1 2 . . . . . . . . . 42 LYS HZ3 parsed_1u6p 1
20 1 1 . . . . . . . . . 307 RCYT N3 parsed_1u6p 1
20 1 2 . . . . . . . . . 42 LYS NZ parsed_1u6p 1
21 1 1 . . . . . . . . . 306 URA O4 parsed_1u6p 1
21 1 2 . . . . . . . . . 41 LYS HZ1 parsed_1u6p 1
22 1 1 . . . . . . . . . 306 URA OP2 parsed_1u6p 1
22 1 2 . . . . . . . . . 28 TYR HH parsed_1u6p 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_1u6p 1
2 1 . . . . . . . 3.00 parsed_1u6p 1
3 1 . . . . . . . 2.00 parsed_1u6p 1
4 1 . . . . . . . 3.00 parsed_1u6p 1
5 1 . . . . . . . 2.00 parsed_1u6p 1
6 1 . . . . . . . 3.00 parsed_1u6p 1
7 1 . . . . . . . 2.00 parsed_1u6p 1
8 1 . . . . . . . 3.00 parsed_1u6p 1
9 1 . . . . . . . 2.00 parsed_1u6p 1
10 1 . . . . . . . 2.00 parsed_1u6p 1
11 1 . . . . . . . 3.00 parsed_1u6p 1
12 1 . . . . . . . 2.00 parsed_1u6p 1
13 1 . . . . . . . 3.00 parsed_1u6p 1
14 1 . . . . . . . 2.00 parsed_1u6p 1
15 1 . . . . . . . 3.00 parsed_1u6p 1
16 1 . . . . . . . 3.80 parsed_1u6p 1
17 1 . . . . . . . 2.00 parsed_1u6p 1
18 1 . . . . . . . 3.00 parsed_1u6p 1
19 1 . . . . . . . 2.00 parsed_1u6p 1
20 1 . . . . . . . 3.00 parsed_1u6p 1
21 1 . . . . . . . 2.00 parsed_1u6p 1
22 1 . . . . . . . 2.60 parsed_1u6p 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 "##################################################################" 2 1 2 68 parsed_1u6p 1
2 "Begin Intermolecular Interactions" 3 1 3 35 parsed_1u6p 1
3 "##################################################################" 4 1 4 68 parsed_1u6p 1
4 ------------------------------------------------------- 5 1 5 56 parsed_1u6p 1
5 "Intermolecular Hydrogen Bonds (H-bonds)" 6 1 6 41 parsed_1u6p 1
6 ------------------------------------------------------- 7 1 7 56 parsed_1u6p 1
7 "GUA 309" 8 1 8 9 parsed_1u6p 1
8 "309 RGUA H21 22 ASP- O 2.00 1.00E+00" 19 1 19 48 parsed_1u6p 1
9 "309 RGUA N2 22 ASP- O 3.00 1.00E+00" 21 1 21 48 parsed_1u6p 1
10 Likely 23 51 23 57 parsed_1u6p 1
11 Likely 24 51 24 57 parsed_1u6p 1
12 "309 RGUA OP2 37 LYS NZ 3.80 1.00E+00 #Questionable" 26 1 26 63 parsed_1u6p 1
13 "309 RGUA N7 37 LYS HZ2 2.00 1.00E+00 #Likely" 27 1 27 57 parsed_1u6p 1
14 "309 RGUA N7 37 LYS NZ 3.00 1.00E+00 #Likely" 28 1 28 57 parsed_1u6p 1
15 "URA 308" 30 2 30 10 parsed_1u6p 1
16 Likely 31 51 31 57 parsed_1u6p 1
17 Likely 32 51 32 57 parsed_1u6p 1
18 "RCYT 307" 39 1 39 10 parsed_1u6p 1
19 "307 RCYT OP2 28 TYR HH 2.00 1.00E+00" 45 1 45 48 parsed_1u6p 1
20 "URA 306" 47 1 47 9 parsed_1u6p 1
21 Likely 48 51 48 57 parsed_1u6p 1
22 Likely 49 51 49 57 parsed_1u6p 1
23 "306 URA O2' 30 LYS HZ3 2.00 1.00E+00 #Questionable" 51 1 51 63 parsed_1u6p 1
24 "306 URA O2' 30 LYS NZ 3.00 1.00E+00 #Questionable" 52 1 52 63 parsed_1u6p 1
stop_
save_
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