NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type |
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43731 |
2bbm   |
cing | 2-parsed | STAR | comment |
data_2bbm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2bbm
_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_2bbm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2bbm
_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 2bbm "Master copy" parsed_2bbm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2bbm
_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 2bbm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2bbm 1
1 2bbm.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 3 distance NOE simple 1486 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 118 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 5 distance NOE simple 164 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 26 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 7 distance NOE simple 132 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 8 distance "hydrogen bond" simple 24 parsed_2bbm 1
1 2bbm.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2bbm 1
1 2bbm.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2bbm 1
1 2bbm.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2bbm 1
stop_
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2bbm
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
B. Torsion angle restraints
The torsion angle restraints are derived from coupling constant and NOE data
using the conformational grid search program STEREOSEARCH [Nilges, M.,
Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822].
They are represented by a square well potential
[Clore et al. (1986) EMBO J. 5, 2729-2735]. The upper and lower limits are
given by i+j and i-j respectively, where the numbers are entered in the order
x,i,j,m. x is the force constant and m the exponent used to compute the
torsion angle restraints target function.
;
save_
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