Figure 4. Structure of Bcl-xl in water after 100 ns of simulation.

(a) Polar and (b) hydrophobic interactions are shown. Residues forming hydrogen bond are shown in sticks. c) structure of Bcl-xl+BH3^Bak complex in water. Residues forming hydrogen bond are shown in sticks, it shows that tail has significant interaction with the BH3 in the complex state, i.e. tail has the tendency to move towards the binding pocket.