protein / predicting 3D-structure perturbation

Scott Le Grand legrand at teslaNOSPAM.mbi.uclaFNORD.edu
Wed Sep 10 23:27:54 EST 1997


Michel PETITJEAN wrote:
> 
> I have the x,y,z coordinates of a protein in PDB format.
> One of the residues has an H-bonding with the rest of the protein.
> Now I replace this residue with an other one which offers no H-bonding.
> How can I predict the perturbations induced on the 3D-structure ?
> Is there softwares for that (free or not) ?
> Thanks.

There are numerous prediction packages available.  None of them
have been shown to be of any predictive value whatsoever anywhere
but within the scientific papers that describe them.  However,
I'm sure the developers of said packages would insist on
disagreeing with this statement

Your best bet at prediction would be to assume the structure
did not change as a result of the mutation.

Scott Le Grand




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