NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type |
|
|
572042 |
2m3x   |
18978 | cing | 2-parsed | STAR | dihedral angle |
data_2m3x_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m3x
_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_2m3x 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m3x
_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 2m3x "Master copy" parsed_2m3x
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m3x
_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 2m3x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m3x 1
1 2m3x.mr . . XPLOR/CNS 2 distance NOE simple 1305 parsed_2m3x 1
1 2m3x.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 77 parsed_2m3x 1
1 2m3x.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 414 parsed_2m3x 1
1 2m3x.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2m3x 1
1 2m3x.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2m3x 1
1 2m3x.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m3x 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2m3x
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
assign(segid a and resid 11 and name n )(segid a and resid 10 and name c )
(segid a and resid 10 and name ca )(segid a and resid 10 and name ha ) -0.30 0.3
;
5 1 6 94 parsed_2m3x 1
2
;
assign(segid a and resid 19 and name n )(segid a and resid 18 and name c )
(segid a and resid 18 and name ca )(segid a and resid 18 and name ha ) -1.70 0.3
;
7 1 8 94 parsed_2m3x 1
3
;
assign(segid a and resid 20 and name n )(segid a and resid 19 and name c )
(segid a and resid 19 and name ca )(segid a and resid 19 and name ha ) -1.70 0.3
;
9 1 10 94 parsed_2m3x 1
4
;
assign(segid a and resid 21 and name n )(segid a and resid 20 and name c )
(segid a and resid 20 and name ca )(segid a and resid 20 and name ha ) -1.70 0.3
;
11 1 12 94 parsed_2m3x 1
5
;
assign(segid a and resid 22 and name n )(segid a and resid 21 and name c )
(segid a and resid 21 and name ca )(segid a and resid 21 and name ha ) -1.70 0.3
;
13 1 14 94 parsed_2m3x 1
6
;
assign(segid a and resid 23 and name n )(segid a and resid 22 and name c )
(segid a and resid 22 and name ca )(segid a and resid 22 and name ha ) -1.70 0.3
;
15 1 16 94 parsed_2m3x 1
7
;
assign(segid a and resid 24 and name n )(segid a and resid 23 and name c )
(segid a and resid 23 and name ca )(segid a and resid 23 and name ha ) -1.70 0.3
;
17 1 18 94 parsed_2m3x 1
8
;
assign(segid a and resid 25 and name n )(segid a and resid 24 and name c )
(segid a and resid 24 and name ca )(segid a and resid 24 and name ha ) -1.70 0.3
;
19 1 20 94 parsed_2m3x 1
9
;
assign(segid a and resid 26 and name n )(segid a and resid 25 and name c )
(segid a and resid 25 and name ca )(segid a and resid 25 and name ha ) -1.70 0.3
;
21 1 22 94 parsed_2m3x 1
10
;
assign(segid a and resid 29 and name n )(segid a and resid 28 and name c )
(segid a and resid 28 and name ca )(segid a and resid 28 and name ha2 ) -0.90 0.3
;
23 1 24 94 parsed_2m3x 1
11
;
assign(segid a and resid 35 and name n )(segid a and resid 34 and name c )
(segid a and resid 34 and name ca )(segid a and resid 34 and name ha2 ) -1.20 0.3
;
25 1 26 94 parsed_2m3x 1
12
;
assign(segid a and resid 35 and name n )(segid a and resid 34 and name c )
(segid a and resid 34 and name ca )(segid a and resid 34 and name ha1 ) -0.50 0.3
;
27 1 28 94 parsed_2m3x 1
13
;
assign(segid a and resid 39 and name n )(segid a and resid 38 and name c )
(segid a and resid 38 and name ca )(segid a and resid 38 and name ha1 ) -0.30 0.3
;
29 1 30 94 parsed_2m3x 1
14
;
assign(segid a and resid 49 and name n )(segid a and resid 48 and name c )
(segid a and resid 48 and name ca )(segid a and resid 48 and name ha ) -0.30 0.3
;
31 1 32 94 parsed_2m3x 1
15
;
assign(segid a and resid 52 and name n )(segid a and resid 51 and name c )
(segid a and resid 51 and name ca )(segid a and resid 51 and name ha ) -1.70 0.3
;
33 1 34 94 parsed_2m3x 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 7:45:58 PM GMT (wattos1)