Residue-Specialized Membrane Poration Kinetics of Melittin and Its Variants: Insight from Mechanistic Landscapes *

Zhi-Xiong Deng,Jing-Liang Li,Bing Yuan,Kai Yang

Fig. S5 (Color online) Convergence of the free energy of the formation of U-shaped peptides. Left: Evolution of the free energy profile with time; Right: the line refers to the free energy difference between the membrane binding state ($Z_{\rm kink}=1.2\sim1.5)$ and the U-shaped conformation state ($Z_{\rm kink}=-0.5$) of the peptide. For MelP5\_B. the convergence is judged by the free energy difference between the membrane binding state ($Z_{\rm kink}=1.2\sim1.5$) and that at $Z_{\rm kink}$=0.