Figure 3.

(A) Contact energy profiles of m11βHSD2. The positions of the amino acid residues are shown on the x-axis, while the contact energies are shown on the y-axis. The trends in the variation of the contact energy in most parts of the m11βHSD2 model are in good agreement with those of the structures of h11βHSD1 and 2,¹⁸ indicating that the h11βHSD2 and m11βHSD2 models exhibit similar contact energy profiles. (B) The MEP map for the m11βHSD2 model at the LBS. Arrows: LBS. Deep blue: most positive potential. Deep red: most negative potential. The model exhibits an almost identical surface MEP map at the LBS in h11βHSD2,¹⁸ sharing common features such as a positively charged surface.