about SASA interpretation

[bjornwallner]

hello all:

i had calculated some binding energies for a protein complex usig “-ddg_bind_only”.

now, interpreting results from these calculations i havent found any description for the terms:

D_SASA*
DSASA_POL*

what i have founf is
SASApack: SASApack is related to the void volume in a protein.

and I guess that DSASA_POL is related to SASA effects in POLar residues, however I cant figure out what does the ‘D’ in DSASA and DSASA_POL means.

I would like to know the exact ‘meaning’ of these descriptors. I have searched the Rosetta site and havent found any clue about it.

thanks in advance

tarajano

[bpierce]

Hi Tarajano,

SASA stands forSolvent Accessible Surface Area. POL means polar, and APOL is apolar, so the sum of the polar and apolar solvent accessible areas will be the total SASA. The D stands for delta, so when you are using ddg_bind_only, you can calculate the change in SASA upon binding, ie the size of the interface in square Angstroms.

best,

Vanita.

[bjornwallner]

thanks a lot for your very clear reply.
best,
tarajano

> Hi Tarajano,
>
> SASA stands forSolvent Accessible Surface Area. POL means polar, and APOL is apolar, so the sum of the polar and apolar solvent accessible areas will be the total SASA. The D stands for delta, so when you are using ddg_bind_only, you can calculate the change in SASA upon binding, ie the size of the interface in square Angstroms.
>
> best,
>
> Vanita.

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