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. Author manuscript; available in PMC: 2008 Sep 22.
Published in final edited form as: J Am Chem Soc. 2007 Feb 21;129(11):3056–3057. doi: 10.1021/ja0688880

Figure 1.

Figure 1

Representative conformations for state 1 and 2 obtained as centroids of the largest conformational cluster from the REX-CPHMD simulations at pH 7. The N- and C-terminal subdomains are colored blue and magenta, respectively. The side chains of the N-terminal hydrophobic cluster are shown in liquorice.