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. 2005 Jul 22;89(4):2402–2411. doi: 10.1529/biophysj.105.066647

FIGURE 3.

FIGURE 3

The final structures (stereo views) of the His-37 and Trp-41 residues of the MD simulations. The residues are depicted in the stick model. The angled sticks are the water molecules. The elements C, N, O, and H are, respectively, in light blue, dark blue, red, and gray colors. The two water molecules above and below the His-37 tetrad in the (t60, t90) conformation are presented in the stick-and-ball model, and note their opposite orientations and the hydrogen bonds formed between the pore water molecules and the ɛ-nitrogen of the His-37 residues.