Re: [AMBER] (no subject)

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 5 Feb 2013 10:16:45 -0500

On Tue, Feb 5, 2013 at 10:05 AM, BERGY <nucleic81.gmail.com> wrote:

> Hi all
> just to add to it
> In my proteini have
> NATIVE:DELTA TOTAL * -13.7358 * 6.7266
> 0.6727
> V123A MUTANT:
> POISSON BOLTZMANN
> MUTANT:DELTA TOTAL * -7.5677 * 6.7846
> 0.6785
>
> RESULT OF ALANINE SCANNING: (V123A) DELTA DELTA G binding = * -6.168*1
> +/- 1.0955
>
> This tell me that Native minus mutant is carried out and negative value
> indicates that alanine mutation destabilize the interactions.
>
> Hope I am correct here.
>

Yes, the native has a binding free energy of -13.7 kcal/mol, whereas the
binding free energy of the alanine mutant is higher (-7.6 kcal/mol). So the
native is more stable.

HTH,
Jason

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Feb 05 2013 - 07:30:04 PST
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