NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
579486 |
2mnz   |
19914 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 39 |
data_2mnz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mnz
_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_2mnz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mnz
_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 2mnz "Master copy" parsed_2mnz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mnz
_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 2mnz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mnz 1
1 2mnz.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 39 parsed_2mnz 1
1 2mnz.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_2mnz 1
1 2mnz.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mnz 1
1 2mnz.mr . . XPLOR/CNS 5 distance NOE simple 0 parsed_2mnz 1
1 2mnz.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mnz 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mnz
_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_2mnz 1
2 1 . . . parsed_2mnz 1
3 1 . . . parsed_2mnz 1
4 1 . . . parsed_2mnz 1
5 1 . . . parsed_2mnz 1
6 1 . . . parsed_2mnz 1
7 1 . . . parsed_2mnz 1
8 1 . . . parsed_2mnz 1
9 1 . . . parsed_2mnz 1
10 1 . . . parsed_2mnz 1
11 1 . . . parsed_2mnz 1
12 1 . . . parsed_2mnz 1
13 1 . . . parsed_2mnz 1
14 1 . . . parsed_2mnz 1
15 1 . . . parsed_2mnz 1
16 1 . . . parsed_2mnz 1
17 1 . . . parsed_2mnz 1
18 1 . . . parsed_2mnz 1
19 1 . . . parsed_2mnz 1
20 1 . . . parsed_2mnz 1
21 1 . . . parsed_2mnz 1
22 1 . . . parsed_2mnz 1
23 1 . . . parsed_2mnz 1
24 1 . . . parsed_2mnz 1
25 1 . . . parsed_2mnz 1
26 1 . . . parsed_2mnz 1
27 1 . . . parsed_2mnz 1
28 1 . . . parsed_2mnz 1
29 1 . . . parsed_2mnz 1
30 1 . . . parsed_2mnz 1
31 1 . . . parsed_2mnz 1
32 1 . . . parsed_2mnz 1
33 1 . . . parsed_2mnz 1
34 1 . . . parsed_2mnz 1
35 1 . . . parsed_2mnz 1
36 1 . . . parsed_2mnz 1
37 1 . . . parsed_2mnz 1
38 1 . . . parsed_2mnz 1
39 1 . . . parsed_2mnz 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 . . . . . . . . PHD 319 . hn parsed_2mnz 1
1 1 2 . . . . . . . . H3K 6 . o parsed_2mnz 1
2 1 1 . . . . . . . . PHD 319 . n parsed_2mnz 1
2 1 2 . . . . . . . . H3K 6 . o parsed_2mnz 1
3 1 1 . . . . . . . . H3K 6 . hn parsed_2mnz 1
3 1 2 . . . . . . . . PHD 319 . o parsed_2mnz 1
4 1 1 . . . . . . . . H3K 6 . n parsed_2mnz 1
4 1 2 . . . . . . . . PHD 319 . o parsed_2mnz 1
5 1 1 . . . . . . . . PHD 324 . hn parsed_2mnz 1
5 1 2 . . . . . . . . H3K 4 . o parsed_2mnz 1
6 1 1 . . . . . . . . PHD 324 . n parsed_2mnz 1
6 1 2 . . . . . . . . H3K 4 . o parsed_2mnz 1
7 1 1 . . . . . . . . H3K 4 . hn parsed_2mnz 1
7 1 2 . . . . . . . . PHD 324 . o parsed_2mnz 1
8 1 1 . . . . . . . . H3K 4 . n parsed_2mnz 1
8 1 2 . . . . . . . . PHD 324 . o parsed_2mnz 1
9 1 1 . . . . . . . . PHD 326 . hn parsed_2mnz 1
9 1 2 . . . . . . . . H3K 2 . o parsed_2mnz 1
10 1 1 . . . . . . . . PHD 326 . n parsed_2mnz 1
10 1 2 . . . . . . . . H3K 2 . o parsed_2mnz 1
11 1 1 . . . . . . . . H3K 2 . hn parsed_2mnz 1
11 1 2 . . . . . . . . PHD 326 . o parsed_2mnz 1
12 1 1 . . . . . . . . H3K 2 . n parsed_2mnz 1
12 1 2 . . . . . . . . PHD 326 . o parsed_2mnz 1
13 1 1 . . . . . . . . H3K 1 . n parsed_2mnz 1
13 1 2 . . . . . . . . PHD 347 . o parsed_2mnz 1
14 1 1 . . . . . . . . H3K 1 . n parsed_2mnz 1
14 1 2 . . . . . . . . PHD 349 . o parsed_2mnz 1
15 1 1 . . . . . . . . H3K 2 . nh2 parsed_2mnz 1
15 1 2 . . . . . . . . PHD 328 . od1 parsed_2mnz 1
16 1 1 . . . . . . . . H3K 2 . hh2# parsed_2mnz 1
16 1 2 . . . . . . . . PHD 328 . od1 parsed_2mnz 1
17 1 1 . . . . . . . . H3K 3 . hg1 parsed_2mnz 1
17 1 2 . . . . . . . . PHD 321 . o parsed_2mnz 1
18 1 1 . . . . . . . . H3K 3 . og1 parsed_2mnz 1
18 1 2 . . . . . . . . PHD 321 . o parsed_2mnz 1
19 1 1 . . . . . . . . H3K 4 . nz parsed_2mnz 1
19 1 2 . . . . . . . . PHD 308 . od1 parsed_2mnz 1
19 1 2 . . . . . . . . PHD 308 . od2 parsed_2mnz 1
20 1 1 . . . . . . . . H3K 4 . hz# parsed_2mnz 1
20 1 2 . . . . . . . . PHD 308 . od1 parsed_2mnz 1
20 1 2 . . . . . . . . PHD 308 . od2 parsed_2mnz 1
21 1 1 . . . . . . . . PHD 327 . hn parsed_2mnz 1
21 1 2 . . . . . . . . PHD 332 . o parsed_2mnz 1
22 1 1 . . . . . . . . PHD 327 . n parsed_2mnz 1
22 1 2 . . . . . . . . PHD 332 . o parsed_2mnz 1
23 1 1 . . . . . . . . PHD 332 . n parsed_2mnz 1
23 1 2 . . . . . . . . PHD 327 . o parsed_2mnz 1
24 1 1 . . . . . . . . PHD 334 . hn parsed_2mnz 1
24 1 2 . . . . . . . . PHD 325 . o parsed_2mnz 1
25 1 1 . . . . . . . . PHD 334 . n parsed_2mnz 1
25 1 2 . . . . . . . . PHD 325 . o parsed_2mnz 1
26 1 1 . . . . . . . . PHD 325 . hn parsed_2mnz 1
26 1 2 . . . . . . . . PHD 334 . o parsed_2mnz 1
27 1 1 . . . . . . . . PHD 325 . n parsed_2mnz 1
27 1 2 . . . . . . . . PHD 334 . o parsed_2mnz 1
28 1 1 . . . . . . . . PHD 338 . hn parsed_2mnz 1
28 1 2 . . . . . . . . PHD 335 . o parsed_2mnz 1
29 1 1 . . . . . . . . PHD 338 . n parsed_2mnz 1
29 1 2 . . . . . . . . PHD 335 . o parsed_2mnz 1
30 1 1 . . . . . . . . PHD 356 . hn parsed_2mnz 1
30 1 2 . . . . . . . . PHD 353 . o parsed_2mnz 1
31 1 1 . . . . . . . . PHD 356 . n parsed_2mnz 1
31 1 2 . . . . . . . . PHD 353 . o parsed_2mnz 1
32 1 1 . . . . . . . . PHD 357 . hn parsed_2mnz 1
32 1 2 . . . . . . . . PHD 354 . o parsed_2mnz 1
33 1 1 . . . . . . . . PHD 357 . n parsed_2mnz 1
33 1 2 . . . . . . . . PHD 354 . o parsed_2mnz 1
34 1 1 . . . . . . . . PHD 313 . hn parsed_2mnz 1
34 1 2 . . . . . . . . PHD 333 . o parsed_2mnz 1
35 1 1 . . . . . . . . PHD 313 . n parsed_2mnz 1
35 1 2 . . . . . . . . PHD 333 . o parsed_2mnz 1
36 1 1 . . . . . . . . PHD 315 . hn parsed_2mnz 1
36 1 2 . . . . . . . . PHD 312 . o parsed_2mnz 1
37 1 1 . . . . . . . . PHD 315 . n parsed_2mnz 1
37 1 2 . . . . . . . . PHD 312 . o parsed_2mnz 1
38 1 1 . . . . . . . . PHD 327 . hn parsed_2mnz 1
38 1 2 . . . . . . . . PHD 332 . o parsed_2mnz 1
39 1 1 . . . . . . . . PHD 327 . n parsed_2mnz 1
39 1 2 . . . . . . . . PHD 332 . o parsed_2mnz 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 . . . . . 2.0 1.6 4.5 parsed_2mnz 1
2 1 . . . . . 3.0 2.6 3.7 parsed_2mnz 1
3 1 . . . . . 2.0 1.6 3.2 parsed_2mnz 1
4 1 . . . . . 3.0 2.6 4.0 parsed_2mnz 1
5 1 . . . . . 2.0 1.6 3.8 parsed_2mnz 1
6 1 . . . . . 3.0 2.6 4.5 parsed_2mnz 1
7 1 . . . . . 2.0 1.6 2.8 parsed_2mnz 1
8 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
9 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
10 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
11 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
12 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
13 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
14 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
15 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
16 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
17 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
18 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
19 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
20 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
21 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
22 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
23 1 . . . . . 3.0 2.6 4.2 parsed_2mnz 1
24 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
25 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
26 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
27 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
28 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
29 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
30 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
31 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
32 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
33 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
34 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
35 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
36 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
37 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 1
38 1 . . . . . 2.0 1.6 2.5 parsed_2mnz 1
39 1 . . . . . 3.0 2.6 3.5 parsed_2mnz 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 "inter-Hbnds for beta sheet" 1 1 1 29 parsed_2mnz 1
2
;
inter Hbnds for interaction
to A1
;
36 1 38 8 parsed_2mnz 1
3 "to R2" 46 1 46 8 parsed_2mnz 1
4 "to T3" 55 1 55 8 parsed_2mnz 1
5 "to K4" 65 1 65 8 parsed_2mnz 1
6 "TALOS Results for ref.pdb" 77 1 77 33 parsed_2mnz 1
7 "beta sheet" 80 1 80 13 parsed_2mnz 1
8 "assign (segid PHD and resid 332 and name hn) (segid PHD and resid 327 and name o) 2.0 0.4 0.5" 86 1 86 98 parsed_2mnz 1
9 "H-D exchange confirmed" 94 1 94 25 parsed_2mnz 1
10
;
H-D exchange confirmed
alpha helix
C338
;
99 1 106 7 parsed_2mnz 1
11 "C 356" 110 1 110 7 parsed_2mnz 1
12 "L 357" 114 1 114 7 parsed_2mnz 1
13
;
Hbnd determination based on H-D exchange exps
assign (segid PHD and resid 312 and name hn) (segid PHD and resid 317 and name o) 3.0 0.4 0.5
assign (segid PHD and resid 312 and name n) (segid PHD and resid 317 and name o) 4.0 0.4 0.5
;
119 1 122 97 parsed_2mnz 1
stop_
save_
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