I don't know the details of these calculations, but why do you expect that the dG (Gibbs energy of binding) can be separated in individual contribution, meaning that these contributions are additive ?

Hi Jean-François Gal,

Thanks for your message. No, these contributions are not additive. I want to know per residue contribution (amino acids) as I want to mutate some of them. Without knowing the contributions of per residue to total dG I can't mutate them. mutation should give better dG.

Thanks for your answer. I don't see how to solve that. You may apply a mutation and rerun the calculation, check the change, but this is time consuming.

okay. Thanks for your reply.