NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
44381 |
2d1u   |
6803 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2d1u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2d1u
_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_2d1u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2d1u
_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 2d1u "Master copy" parsed_2d1u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2d1u
_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 2d1u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2d1u 1
1 2d1u.mr . . DYANA/DIANA 2 distance NOE simple 1436 parsed_2d1u 1
1 2d1u.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 116 parsed_2d1u 1
1 2d1u.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_2d1u 1
1 2d1u.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2d1u 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2d1u
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
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 constraints###" 1 1 1 32 parsed_2d1u 1
2 "alpha-helix 47-54" 4 1 4 19 parsed_2d1u 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
;
assign (resid 46 and name o)(resid 50 and name h) 1.95 0.35 0.35
assign (resid 46 and name o)(resid 50 and name n) 2.9 0.4 0.4
assign (resid 47 and name o)(resid 51 and name h) 1.95 0.35 0.35
assign (resid 47 and name o)(resid 51 and name n) 2.9 0.4 0.4
assign (resid 48 and name o)(resid 52 and name h) 1.95 0.35 0.35
assign (resid 48 and name o)(resid 52 and name n) 2.9 0.4 0.4
assign (resid 49 and name o)(resid 53 and name h) 1.95 0.35 0.35
assign (resid 49 and name o)(resid 53 and name n) 2.9 0.4 0.4
assign (resid 50 and name o)(resid 54 and name h) 1.95 0.35 0.35
assign (resid 50 and name o)(resid 54 and name n) 2.9 0.4 0.4
#alpha_helix 11-22
assign (resid 9 and name o)(resid 13 and name h) 1.95 0.35 0.35
assign (resid 9 and name o)(resid 13 and name n) 2.9 0.4 0.4
assign (resid 10 and name o)(resid 14 and name h) 1.95 0.35 0.35
assign (resid 10 and name o)(resid 14 and name n) 2.9 0.4 0.4
assign (resid 11 and name o)(resid 15 and name h) 1.95 0.35 0.35
assign (resid 11 and name o)(resid 15 and name n) 2.9 0.4 0.4
assign (resid 12 and name o)(resid 16 and name h) 1.95 0.35 0.35
assign (resid 12 and name o)(resid 16 and name n) 2.9 0.4 0.4
assign (resid 13 and name o)(resid 17 and name h) 1.95 0.35 0.35
assign (resid 13 and name o)(resid 17 and name n) 2.9 0.4 0.4
assign (resid 14 and name o)(resid 18 and name h) 1.95 0.35 0.35
assign (resid 14 and name o)(resid 18 and name n) 2.9 0.4 0.4
assign (resid 15 and name o)(resid 19 and name h) 1.95 0.35 0.35
assign (resid 15 and name o)(resid 19 and name n) 2.9 0.4 0.4
assign (resid 17 and name o)(resid 20 and name h) 1.95 0.35 0.35
assign (resid 17 and name o)(resid 20 and name n) 2.9 0.4 0.4
#b-sheets
assign (resid 60 and name o)(resid 72 and name h) 1.95 0.35 0.35
assign (resid 60 and name o)(resid 72 and name n) 2.9 0.4 0.4
assign (resid 72 and name o)(resid 60 and name h) 1.95 0.35 0.35
assign (resid 72 and name o)(resid 60 and name n) 2.9 0.4 0.4
assign (resid 70 and name o)(resid 62 and name h) 1.95 0.35 0.35
assign (resid 70 and name o)(resid 62 and name n) 2.9 0.4 0.4
assign (resid 62 and name o)(resid 70 and name h) 1.95 0.35 0.35
assign (resid 62 and name o)(resid 70 and name n) 2.9 0.4 0.4
assign (resid 40 and name o)(resid 5 and name h) 1.95 0.35 0.35
assign (resid 40 and name o)(resid 5 and name n) 2.9 0.4 0.4
assogn (resid 5 and name o) (resid 40 and name h) 1.95 0.35 0.35
assign (resid 5 and name o) (resid 40 and name n) 2.9 0.4 0.4
;
6 1 67 62 parsed_2d1u 1
stop_
save_
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