Result: The binding free energy values of
E484K (1.9 kcal/mol),
L452R (2.4 kcal/mol) and
T478K (2.3 kcal/mol) are not different, and the experimental values corresponding to these mutations are also very similar.
Result: The calculated DeltaDeltaG of the
L478R mutation is 3.0 kcal/mol, the
T478K<