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. Author manuscript; available in PMC: 2020 Feb 27.
Published in final edited form as: J Phys Chem B. 2019 Oct 9;123(41):8644–8652. doi: 10.1021/acs.jpcb.9b05796

Figure 2.

Figure 2.

Conformational fluctuations of membrane-bound G12D and Q61H KRAS. (A, B) Evolution of ζ (A) and cos(Θ) (B) during a 20 μs MD simulation. (C, D) Normalized histograms of ζ (C) and cos(Θ) (D). G12D is in green and Q61H in blue. ζ = distance between the Cα atoms of residues D132 and T183; cos(Θ) = cosine of the angle between a vector along β-strand 1 (residues 5–9) and the membrane normal.