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 |
|
|
652962 |
6tub   |
26715 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_6tub_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6tub
_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_6tub 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6tub
_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 6tub "Master copy" parsed_6tub
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6tub
_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 6tub.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6tub 1
1 6tub.mr . . DYANA/DIANA 2 distance "hydrogen bond" simple 0 parsed_6tub 1
1 6tub.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_6tub 1
1 6tub.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6tub 1
1 6tub.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6tub 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6tub
_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_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 "Restraints file 1: hbonds.lol" 1 1 1 31 parsed_6tub 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
;
A21 ALA O B22 ILE H 1.80 1.00E+01
A21 ALA O B22 ILE N 2.70 1.00E+01
A23 ILE H B22 ILE O 1.80 1.00E+01
A23 ILE N B22 ILE O 2.70 1.00E+01
A23 ILE O B24 LYS H 1.80 1.00E+01
A23 ILE O B24 LYS N 2.70 1.00E+01
B21 ALA O C22 ILE H 1.80 1.00E+01
B21 ALA O C22 ILE N 2.70 1.00E+01
B23 ILE H C22 ILE O 1.80 1.00E+01
B23 ILE N C22 ILE O 2.70 1.00E+01
B23 ILE O C24 LYS H 1.80 1.00E+01
B23 ILE O C24 LYS N 2.70 1.00E+01
C21 ALA O D22 ILE H 1.80 1.00E+01
C21 ALA O D22 ILE N 2.70 1.00E+01
C23 ILE H D22 ILE O 1.80 1.00E+01
C23 ILE N D22 ILE O 2.70 1.00E+01
C23 ILE O D24 LYS H 1.80 1.00E+01
C23 ILE O D24 LYS N 2.70 1.00E+01
D21 ALA O E22 ILE H 1.80 1.00E+01
D21 ALA O E22 ILE N 2.70 1.00E+01
D23 ILE H E22 ILE O 1.80 1.00E+01
D23 ILE N E22 ILE O 2.70 1.00E+01
D23 ILE O E24 LYS H 1.80 1.00E+01
D23 ILE O E24 LYS N 2.70 1.00E+01
E21 ALA O F22 ILE H 1.80 1.00E+01
E21 ALA O F22 ILE N 2.70 1.00E+01
E23 ILE H F22 ILE O 1.80 1.00E+01
E23 ILE N F22 ILE O 2.70 1.00E+01
E23 ILE O F24 LYS H 1.80 1.00E+01
E23 ILE O F24 LYS N 2.70 1.00E+01
# Restraints file 2: hbonds.upl
# hydrogen bond restraints (upper distance bounds)
A21 ALA O B22 ILE H 2.00 1.00E+01
A21 ALA O B22 ILE N 3.00 1.00E+01
A23 ILE H B22 ILE O 2.00 1.00E+01
A23 ILE N B22 ILE O 3.00 1.00E+01
A23 ILE O B24 LYS H 2.00 1.00E+01
A23 ILE O B24 LYS N 3.00 1.00E+01
B21 ALA O C22 ILE H 2.00 1.00E+01
B21 ALA O C22 ILE N 3.00 1.00E+01
B23 ILE H C22 ILE O 2.00 1.00E+01
B23 ILE N C22 ILE O 3.00 1.00E+01
B23 ILE O C24 LYS H 2.00 1.00E+01
B23 ILE O C24 LYS N 3.00 1.00E+01
C21 ALA O D22 ILE H 2.00 1.00E+01
C21 ALA O D22 ILE N 3.00 1.00E+01
C23 ILE H D22 ILE O 2.00 1.00E+01
C23 ILE N D22 ILE O 3.00 1.00E+01
C23 ILE O D24 LYS H 2.00 1.00E+01
C23 ILE O D24 LYS N 3.00 1.00E+01
D21 ALA O E22 ILE H 2.00 1.00E+01
D21 ALA O E22 ILE N 3.00 1.00E+01
D23 ILE H E22 ILE O 2.00 1.00E+01
D23 ILE N E22 ILE O 3.00 1.00E+01
D23 ILE O E24 LYS H 2.00 1.00E+01
D23 ILE O E24 LYS N 3.00 1.00E+01
E21 ALA O F22 ILE H 2.00 1.00E+01
E21 ALA O F22 ILE N 3.00 1.00E+01
E23 ILE H F22 ILE O 2.00 1.00E+01
E23 ILE N F22 ILE O 3.00 1.00E+01
E23 ILE O F24 LYS H 2.00 1.00E+01
E23 ILE O F24 LYS N 3.00 1.00E+01
;
2 1 63 47 parsed_6tub 1
stop_
save_
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