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. 2003 Nov;85(5):2900–2918. doi: 10.1016/S0006-3495(03)74712-2

FIGURE 5.

FIGURE 5

(A) Configurational change of M2-TMP at the membrane interface (cyan slabs at z = ±12.5 Å represent the upper and lower membrane interface). All atoms are shown as ball-and-stick models. The figure was produced with DINO (Philippsen, 2001). (B) Hydrogen bonds of backbone atoms are defined by dOi··HNi+4 ≤ 2.6 Å and 120° ≥ θO…H…N ≤ 180°, where dOi··HNi+4 is the distance between the carbonyl oxygen of residue i, Oi; and the amide hydrogen of residue i + 4, HNi+4; and θO…H…N is the angle between Oi, HNi+4, and Ni+4. The H-bond frequency is calculated from 2.4-ns trajectories (after 1.1 ns) for each run. (C) The φ and ψ backbone dihedral angles from Leu26 to Leu43, calculated from 2.4 ns trajectories (after 1.1 ns) for each run. For simplicity, the fluctuation of each angle, which is ∼± 7–10°, is omitted. (D) The tilt angle is defined by the angle between the membrane interface and the principal axis of the backbone heavy atoms of Leu26 to Leu43.