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. 2005 May 13;89(2):768–781. doi: 10.1529/biophysj.105.058917

FIGURE 6.

FIGURE 6

(A) The distance between one of the chloride ions and the hydrogen atoms attached to the guanido group of Arg-47 (gray) or to the amino group of Lys-54 (black), as a function of simulation time, during the simulation MD_N. The ion rapidly moves from the vicinity of Arg-47 to the vicinity of Lys-54. (B) The distance between one of the sodium ions and the carboxylate oxygens of Glu-31 (points), Glu-38 (solid line), and Glu-66 (gray) as a function of simulation time, during the simulation MD_N. The ion is first associated with Glu-38 and Glu-66 and then with Glu-31.