NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
47567 |
2h3q   |
5960 | cing | 2-parsed | STAR | distance | general distance | simple | 31 |
data_2h3q_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2h3q
_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_2h3q 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2h3q
_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 2h3q "Master copy" parsed_2h3q
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2h3q
_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 2h3q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2h3q 1
1 2h3q.mr . . DYANA/DIANA 2 distance NOE simple 826 parsed_2h3q 1
1 2h3q.mr . . DYANA/DIANA 3 distance "general distance" simple 31 parsed_2h3q 1
1 2h3q.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2h3q 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2h3q
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_2h3q 1
2 1 . . . parsed_2h3q 1
3 1 . . . parsed_2h3q 1
4 1 . . . parsed_2h3q 1
5 1 . . . parsed_2h3q 1
6 1 . . . parsed_2h3q 1
7 1 . . . parsed_2h3q 1
8 1 . . . parsed_2h3q 1
9 1 . . . parsed_2h3q 1
10 1 . . . parsed_2h3q 1
11 1 . . . parsed_2h3q 1
12 1 . . . parsed_2h3q 1
13 1 . . . parsed_2h3q 1
14 1 . . . parsed_2h3q 1
15 1 . . . parsed_2h3q 1
16 1 . . . parsed_2h3q 1
17 1 . . . parsed_2h3q 1
18 1 . . . parsed_2h3q 1
19 1 . . . parsed_2h3q 1
20 1 . . . parsed_2h3q 1
21 1 . . . parsed_2h3q 1
22 1 . . . parsed_2h3q 1
23 1 . . . parsed_2h3q 1
24 1 . . . parsed_2h3q 1
25 1 . . . parsed_2h3q 1
26 1 . . . parsed_2h3q 1
27 1 . . . parsed_2h3q 1
28 1 . . . parsed_2h3q 1
29 1 . . . parsed_2h3q 1
30 1 . . . parsed_2h3q 1
31 1 . . . parsed_2h3q 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 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1
1 1 2 . . . . . . . . . 300 PIPB H81 parsed_2h3q 1
2 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1
2 1 2 . . . . . . . . . 300 PIPB H82 parsed_2h3q 1
3 1 1 . . . . . . . . . 300 PIPB C10 parsed_2h3q 1
3 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1
4 1 1 . . . . . . . . . 300 PIPB C10 parsed_2h3q 1
4 1 2 . . . . . . . . . 29 TYR HE1 parsed_2h3q 1
5 1 1 . . . . . . . . . 300 PIPB C10 parsed_2h3q 1
5 1 2 . . . . . . . . . 77 SER QB parsed_2h3q 1
6 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1
6 1 2 . . . . . . . . . 36 TRP HD1 parsed_2h3q 1
7 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1
7 1 2 . . . . . . . . . 36 TRP HE1 parsed_2h3q 1
8 1 1 . . . . . . . . . 300 PIPB H2' parsed_2h3q 1
8 1 2 . . . . . . . . . 33 HISB HD2 parsed_2h3q 1
9 1 1 . . . . . . . . . 300 PIPB C1' parsed_2h3q 1
9 1 2 . . . . . . . . . 36 TRP HD1 parsed_2h3q 1
10 1 1 . . . . . . . . . 300 PIPB H1'1 parsed_2h3q 1
10 1 2 . . . . . . . . . 33 HISB HD2 parsed_2h3q 1
11 1 1 . . . . . . . . . 300 PIPB H1'2 parsed_2h3q 1
11 1 2 . . . . . . . . . 33 HISB HD2 parsed_2h3q 1
12 1 1 . . . . . . . . . 300 PIPB C8 parsed_2h3q 1
12 1 2 . . . . . . . . . 29 TYR HE1 parsed_2h3q 1
13 1 1 . . . . . . . . . 300 PIPB C8 parsed_2h3q 1
13 1 2 . . . . . . . . . 36 TRP HE3 parsed_2h3q 1
14 1 1 . . . . . . . . . 300 PIPB C8 parsed_2h3q 1
14 1 2 . . . . . . . . . 36 TRP HZ3 parsed_2h3q 1
15 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1
15 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1
16 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1
16 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1
17 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1
17 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1
18 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1
18 1 2 . . . . . . . . . 27 LYS QE parsed_2h3q 1
19 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1
19 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1
20 1 1 . . . . . . . . . 300 PIPB H3 parsed_2h3q 1
20 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1
21 1 1 . . . . . . . . . 300 PIPB H3 parsed_2h3q 1
21 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1
22 1 1 . . . . . . . . . 300 PIPB H5 parsed_2h3q 1
22 1 2 . . . . . . . . . 21 LEU QD1 parsed_2h3q 1
23 1 1 . . . . . . . . . 300 PIPB H5 parsed_2h3q 1
23 1 2 . . . . . . . . . 21 LEU QD2 parsed_2h3q 1
24 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1
24 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1
25 1 1 . . . . . . . . . 300 PIPB H1 parsed_2h3q 1
25 1 2 . . . . . . . . . 27 LYS QE parsed_2h3q 1
26 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1
26 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1
27 1 1 . . . . . . . . . 300 PIPB H2 parsed_2h3q 1
27 1 2 . . . . . . . . . 27 LYS QD parsed_2h3q 1
28 1 1 . . . . . . . . . 300 PIPB OP2 parsed_2h3q 1
28 1 2 . . . . . . . . . 27 LYS HZ1 parsed_2h3q 1
29 1 1 . . . . . . . . . 300 PIPB OP3 parsed_2h3q 1
29 1 2 . . . . . . . . . 27 LYS HZ1 parsed_2h3q 1
30 1 1 . . . . . . . . . 300 PIPB O41 parsed_2h3q 1
30 1 2 . . . . . . . . . 22 ARG HE parsed_2h3q 1
31 1 1 . . . . . . . . . 300 PIPB O51 parsed_2h3q 1
31 1 2 . . . . . . . . . 76 ARG HH22 parsed_2h3q 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 . . . . . . . 2.7 parsed_2h3q 1
2 1 . . . . . . . 2.7 parsed_2h3q 1
3 1 . . . . . . . 3.8 parsed_2h3q 1
4 1 . . . . . . . 3.8 parsed_2h3q 1
5 1 . . . . . . . 5.5 parsed_2h3q 1
6 1 . . . . . . . 5.0 parsed_2h3q 1
7 1 . . . . . . . 5.0 parsed_2h3q 1
8 1 . . . . . . . 5.0 parsed_2h3q 1
9 1 . . . . . . . 5.5 parsed_2h3q 1
10 1 . . . . . . . 3.3 parsed_2h3q 1
11 1 . . . . . . . 3.3 parsed_2h3q 1
12 1 . . . . . . . 5.5 parsed_2h3q 1
13 1 . . . . . . . 5.5 parsed_2h3q 1
14 1 . . . . . . . 5.5 parsed_2h3q 1
15 1 . . . . . . . 3.3 parsed_2h3q 1
16 1 . . . . . . . 5.0 parsed_2h3q 1
17 1 . . . . . . . 5.0 parsed_2h3q 1
18 1 . . . . . . . 3.3 parsed_2h3q 1
19 1 . . . . . . . 3.3 parsed_2h3q 1
20 1 . . . . . . . 3.3 parsed_2h3q 1
21 1 . . . . . . . 5.0 parsed_2h3q 1
22 1 . . . . . . . 5.0 parsed_2h3q 1
23 1 . . . . . . . 5.0 parsed_2h3q 1
24 1 . . . . . . . 5.0 parsed_2h3q 1
25 1 . . . . . . . 5.0 parsed_2h3q 1
26 1 . . . . . . . 5.0 parsed_2h3q 1
27 1 . . . . . . . 5.0 parsed_2h3q 1
28 1 . . . . . . . 3.0 parsed_2h3q 1
29 1 . . . . . . . 3.0 parsed_2h3q 1
30 1 . . . . . . . 3.0 parsed_2h3q 1
31 1 . . . . . . . 3.0 parsed_2h3q 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 "########### PIPB NOEs and Restraints #######################" 1 1 1 62 parsed_2h3q 1
2 "Intramolecular PIPB NOEs" 3 1 3 26 parsed_2h3q 1
3 "300 PIPB H3'1 300 PIPB H1'1 2.7 1.00E+00" 7 1 7 41 parsed_2h3q 1
4 "Intermolecular PIPB NOEs" 9 1 9 26 parsed_2h3q 1
5 "stronger than QD1" 32 37 32 54 parsed_2h3q 1
6 "Intermolecular H-bonds and salt bridges" 39 1 39 41 parsed_2h3q 1
7 "300 PIPB OP2 33 HISB HE2 3.0 1.00E+00" 40 1 40 38 parsed_2h3q 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 5:21:32 PM GMT (wattos1)