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
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.
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.