NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
587921 |
2my1   |
25439 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 30 |
data_2my1_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2my1
_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_2my1 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2my1
_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 2my1 "Master copy" parsed_2my1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2my1
_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 2my1.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 2 distance NOE simple 1828 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 57 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 140 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 5 distance "hydrogen bond" simple 30 parsed_2my1 1
1 2my1.mr . . unknown 6 unknown "Not applicable" "Not applicable" 0 parsed_2my1 1
1 2my1.mr . . XPLOR/CNS 7 distance "general distance" simple 0 parsed_2my1 1
1 2my1.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2my1 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2my1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2my1 1
2 1 . . . parsed_2my1 1
3 1 . . . parsed_2my1 1
4 1 . . . parsed_2my1 1
5 1 . . . parsed_2my1 1
6 1 . . . parsed_2my1 1
7 1 . . . parsed_2my1 1
8 1 . . . parsed_2my1 1
9 1 . . . parsed_2my1 1
10 1 . . . parsed_2my1 1
11 1 . . . parsed_2my1 1
12 1 . . . parsed_2my1 1
13 1 . . . parsed_2my1 1
14 1 . . . parsed_2my1 1
15 1 . . . parsed_2my1 1
16 1 . . . parsed_2my1 1
17 1 . . . parsed_2my1 1
18 1 . . . parsed_2my1 1
19 1 . . . parsed_2my1 1
20 1 . . . parsed_2my1 1
21 1 . . . parsed_2my1 1
22 1 . . . parsed_2my1 1
23 1 . . . parsed_2my1 1
24 1 . . . parsed_2my1 1
25 1 . . . parsed_2my1 1
26 1 . . . parsed_2my1 1
27 1 . . . parsed_2my1 1
28 1 . . . parsed_2my1 1
29 1 . . . parsed_2my1 1
30 1 . . . parsed_2my1 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 . . . . . . . . . 63 . n parsed_2my1 1
1 1 2 . . . . . . . . . 59 . o parsed_2my1 1
2 1 1 . . . . . . . . . 63 . hn parsed_2my1 1
2 1 2 . . . . . . . . . 59 . o parsed_2my1 1
3 1 1 . . . . . . . . . 64 . n parsed_2my1 1
3 1 2 . . . . . . . . . 60 . o parsed_2my1 1
4 1 1 . . . . . . . . . 64 . hn parsed_2my1 1
4 1 2 . . . . . . . . . 60 . o parsed_2my1 1
5 1 1 . . . . . . . . . 65 . n parsed_2my1 1
5 1 2 . . . . . . . . . 61 . o parsed_2my1 1
6 1 1 . . . . . . . . . 65 . hn parsed_2my1 1
6 1 2 . . . . . . . . . 61 . o parsed_2my1 1
7 1 1 . . . . . . . . . 66 . n parsed_2my1 1
7 1 2 . . . . . . . . . 62 . o parsed_2my1 1
8 1 1 . . . . . . . . . 66 . hn parsed_2my1 1
8 1 2 . . . . . . . . . 62 . o parsed_2my1 1
9 1 1 . . . . . . . . . 67 . n parsed_2my1 1
9 1 2 . . . . . . . . . 63 . o parsed_2my1 1
10 1 1 . . . . . . . . . 67 . hn parsed_2my1 1
10 1 2 . . . . . . . . . 63 . o parsed_2my1 1
11 1 1 . . . . . . . . . 78 . n parsed_2my1 1
11 1 2 . . . . . . . . . 74 . o parsed_2my1 1
12 1 1 . . . . . . . . . 78 . hn parsed_2my1 1
12 1 2 . . . . . . . . . 74 . o parsed_2my1 1
13 1 1 . . . . . . . . . 79 . n parsed_2my1 1
13 1 2 . . . . . . . . . 75 . o parsed_2my1 1
14 1 1 . . . . . . . . . 79 . hn parsed_2my1 1
14 1 2 . . . . . . . . . 75 . o parsed_2my1 1
15 1 1 . . . . . . . . . 80 . n parsed_2my1 1
15 1 2 . . . . . . . . . 76 . o parsed_2my1 1
16 1 1 . . . . . . . . . 80 . hn parsed_2my1 1
16 1 2 . . . . . . . . . 76 . o parsed_2my1 1
17 1 1 . . . . . . . . . 81 . n parsed_2my1 1
17 1 2 . . . . . . . . . 77 . o parsed_2my1 1
18 1 1 . . . . . . . . . 81 . hn parsed_2my1 1
18 1 2 . . . . . . . . . 77 . o parsed_2my1 1
19 1 1 . . . . . . . . . 82 . n parsed_2my1 1
19 1 2 . . . . . . . . . 78 . o parsed_2my1 1
20 1 1 . . . . . . . . . 82 . hn parsed_2my1 1
20 1 2 . . . . . . . . . 78 . o parsed_2my1 1
21 1 1 . . . . . . . . . 83 . n parsed_2my1 1
21 1 2 . . . . . . . . . 79 . o parsed_2my1 1
22 1 1 . . . . . . . . . 83 . hn parsed_2my1 1
22 1 2 . . . . . . . . . 79 . o parsed_2my1 1
23 1 1 . . . . . . . . . 92 . n parsed_2my1 1
23 1 2 . . . . . . . . . 88 . o parsed_2my1 1
24 1 1 . . . . . . . . . 92 . hn parsed_2my1 1
24 1 2 . . . . . . . . . 88 . o parsed_2my1 1
25 1 1 . . . . . . . . . 93 . n parsed_2my1 1
25 1 2 . . . . . . . . . 89 . o parsed_2my1 1
26 1 1 . . . . . . . . . 93 . hn parsed_2my1 1
26 1 2 . . . . . . . . . 89 . o parsed_2my1 1
27 1 1 . . . . . . . . . 94 . n parsed_2my1 1
27 1 2 . . . . . . . . . 90 . o parsed_2my1 1
28 1 1 . . . . . . . . . 94 . hn parsed_2my1 1
28 1 2 . . . . . . . . . 90 . o parsed_2my1 1
29 1 1 . . . . . . . . . 95 . n parsed_2my1 1
29 1 2 . . . . . . . . . 91 . o parsed_2my1 1
30 1 1 . . . . . . . . . 95 . hn parsed_2my1 1
30 1 2 . . . . . . . . . 91 . o parsed_2my1 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 . . . . . 3.2 0.0 3.2 parsed_2my1 1
2 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
3 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
4 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
5 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
6 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
7 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
8 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
9 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
10 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
11 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
12 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
13 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
14 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
15 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
16 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
17 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
18 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
19 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
20 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
21 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
22 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
23 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
24 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
25 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
26 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
27 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
28 1 . . . . . 2.2 0.0 2.2 parsed_2my1 1
29 1 . . . . . 3.2 0.0 3.2 parsed_2my1 1
30 1 . . . . . 2.2 0.0 2.2 parsed_2my1 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
;
Restraint files used to calculated the final round structures of BUD31p.
H-bond restraint file:
;
1 1 5 26 parsed_2my1 1
stop_
save_
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