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. Author manuscript; available in PMC: 2021 Apr 30.
Published in final edited form as: J Phys Chem B. 2018 Jul 18;122(30):7503–7513. doi: 10.1021/acs.jpcb.8b04347

Figure 4.

Figure 4.

Initial and final positions of the KRas4B HVR and some key residues. (A) Initial and final positions of the farnesyl/geranylgeranyl group and Phe133 side chain in systems 2–4 and 6–8. (B) Initial and final positions of Met20, Arg61, and Ile129 of PDEδ in systems 6–8. The structures at 10 ns are represented by orange, whereas the structures at 500 ns are shown by gray. The HVR is removed in panel (B) to be able to clearly see the movement of the residues. The β4/β7 and β6 interfaces are shown with blue labels.