From the Bax Group at the National Institutes of Health ...
Create Extended Structure from Residue Sequence
(Currently Proteins Only)
Create an Extended Structure
(Currently Proteins Only)
Contact:
Frank Delaglio
delaglio@nih.gov
Sequence File:
Input file containing amino acid sequence for the protein structure to create. The input file can be in the form of an
NMRPipe table
with DATA SEQUENCE lines, a
BMRB NMR-Star file
with sequence information, or another
PDB file
. The sequence must contain only residues from the 20 common amino acids. Examples:
ubiq_seq.tab
and
ubiq_seq.str
Alternatively, the input file can be a molecular specification in the
DYNAMO GMC Record
Format. Using this format provides a method to create multi-chain PDB files, to delete or add atoms, specify additional bonds, etc. Example:
gmc_record.txt
Torsion File:
Optional input file of one or more
named torsions
and their values. This provides a way to specify a particular backbone or sidechain torsions if desired. Example:
ubiq_phipsi.txt
Reset Backbone Angles to Helix:
if this option is selected, after the structure is created, the backbone angles will be reset to helical values. Otherwise, the structure produced will be a random coil. This reset option is ignored if a torsion file is specified above.
The Calculation results will be sent via Email.
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last update: Nov 2 2022