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. 2014 Nov 18;107(10):L25–L28. doi: 10.1016/j.bpj.2014.10.001

Figure 2.

Figure 2

Movement of the R534 side chain across the CTC in chain a of the hERG model simulation (A). Similar transitions are observed in chains a and b (panels B and C), but not chains c (D) or d (not shown), where the R534 side chain remains close to D466. In all subunits of the Kv1.2/2.1 chimera simulation, charge pairing of the starting structure (Fig. 1B) was maintained throughout (e.g., panel E and see Fig. S2 in the Supporting Material). (Black and blue lines) Distances from the Arg CZ or Lys ε atom to the two O atoms, respectively, of Asp or Glu.