Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Mutated and probe regions that were used in the FEP and LIE simulations, respectively. The atoms shown in black were included in both FEP and LIE regions. The regions mutated in the FEP simulations included additionally -CH2- group(s) and the glycine fragment -G- (NHCHCO) of each amino acid residue (red).
