Graphical representation of the TMDs. Snapshots of TMD110-32 (A, left column) and TMD236-58 (A, right column) are shown at 0 ns and 50 ns. The individual mutant TMDs (left), (middle), (right) are presented with structures at 50 ns (B). The lowest energy structures of the assembled monomers (assembled with MOE) without (left) and with loop (right) are outlined (C). The left monomer highlights the leusines (light blue). The backbone is shown in yellow for all structures. TMD11-32 is shown at 0 ns and 100 ns, as well as in different perspectives and with some residues indicated (D). Histidine (red), phenylalanines (green), tyrosines (dark blue), tryptophans (magenta), methionine (pink), valines (white), glycines (black), leusines (light blue) and serines (orange) are marked in stick modus. Water molecules are drawn in blue, using a ball-stick modus. Lipids are omitted for clarity. The bar in (D) indicates the backbone exposed side of the helix to the membrane.