Suppl. Fig. 2.

Graphical representation of the protonated bundle models of GT 1a (I), 1b (II), both at 400 ns, and 5a from NMR (III) at 100 ns (A). The segments belonging to TMD1 and 2 are highlighted in green and red, respectively. The side chains of His-17 (bundle-1a, -1b, -5a) as well as His-31 and -59 of bundle-5a are highlighted. The view is from the side of the termini to the loop region. A side view of the respective structures is highlighting specific residues: His-17, -31, -59, Trp-30, Arg-35, -54, -57, -60 (B). Lipids and water molecules are omitted for clarity.