Hi, I want to model several short peptides with a special conformation. The templates have the polyproline II conformation, but the model-sequences are far divergent from the template-sequence. How can I model peptides (8-18 aa) with a given conformation ?
On Mon, 26 Apr 1999, Holger Kremmin wrote:
> Hi, > I want to model several short peptides with a special conformation. > The templates have the polyproline II conformation, but the model-sequences > are far divergent from the template-sequence. > How can I model peptides (8-18 aa) with a given conformation ? >
Holger,
Could I suggest using CHARMM for this? This type of job is fairly easy using that program. I am not sure if there is an easy way in modeller unless you have a good understanding of the restraint set-up in modeller,
Tony Pemberton
********************************************************************* Mr. A.J.Pemberton Tel: +121-414-3388 c/o Dept. Rheumatology, Fax: +121-414-3982 Medical School, E-mail: A.J.Pemberton@bham.ac.uk The University of Birmingham, Birmingham B15 2TT. U.K. *********************************************************************
If you have a short template structure in polyproline II conformation and want to have model sequences in the same conformation, just align them with the template structure and model them in the standard way with modeller. It does not matter that they are only peptides, tha target sequence structure will try to reproduce the template structure.
Andrej
> > On Mon, 26 Apr 1999, Holger Kremmin wrote: > > > Hi, > > I want to model several short peptides with a special conformation. > > The templates have the polyproline II conformation, but the model-sequences > > are far divergent from the template-sequence. > > How can I model peptides (8-18 aa) with a given conformation ? > > > > Holger, > > Could I suggest using CHARMM for this? This type of job is fairly > easy using that program. I am not sure if there is an easy way in > modeller unless you have a good understanding of the restraint > set-up in modeller, > > Tony Pemberton > > ********************************************************************* > Mr. A.J.Pemberton Tel: +121-414-3388 > c/o Dept. Rheumatology, Fax: +121-414-3982 > Medical School, E-mail: A.J.Pemberton@bham.ac.uk > The University of Birmingham, > Birmingham B15 2TT. > U.K. > ********************************************************************* >
participants (3)
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Holger Kremmin
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sali@rockvax.rockefeller.edu
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Tony Pemberton