Re: potential disulfide bonds

[Bart Hazes <bart@sherlock.mmid.ualberta.ca>]

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There is such a program in the BIOMOL package (the first ever program that
I wrote). I have a version available that does not need the BIOMOL
library. You can pick it up by anonymous FTP at:
mycroft.mmid.ualberta.ca go to the pub/bart directory and get ssbond.f

The program should compile as is with any standard F77 fortran compiler.
You will find the program documentation in the header of the source code.

The program will tell you which pairs of residues could make a
reasonable disulfide bond if mutated to Cys. It wil allow you to write 
out a PDB with the modeled SS-bond (incl. local geometry minimization
coded by Bauke Dijkstra), give its torsion angles and it will 
give an estimate of the geometric strain needed to introduce the SS-bond 

Bart Hazes



On Wed, 30 Sep 1998, Brian H. Shilton wrote:

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> 
> I would like to scan a protein structure to find residues that, when
> mutated to Cys, could form a disulfide bond under appropriate conditions.
> Is there a program available that will locate such pairs of residues?
> 
> Thanks,
> 
> Brian
> 
> 
> 
> 
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