Fig. S2 (Color online) U-shaped MelP5 in a T-pore (the same trajectory as shown in Fig. 3). (a)Snapshots showing different interaction states between MelP5 and membrane (S and U). The peptide,which can have a U-shaped conformation, is colored with green, and the others are grey (includethe T-shaped MelP5). (b) Evolution of locations of termini (residues G1 and Q26) and kink part(residue T11) of the peptide (the green one in (a)). For comparison, the locations of lipid heads(PO4 groups) of outer and inner leaflet are also shown, respectively. (c) Changes of tilt angles (inset)of residues K7 and T11. For the U-shaped MelP5, flip of the side chain of residue T11 occurs while the configuration change of basic residue K7 does not, compared with the T-shaped MelP5 (see Fig. 3 in main text). The similarity in configuration changes of residue T11 and the difference in K7 indicate their roles in the formation of U-shape conformation of a peptide and the translocation of its $N$ terminus, respectively. $P/L$=1/43.
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