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. 2021 Dec 11;20:139–147. doi: 10.1016/j.csbj.2021.12.011

Fig. 6.

Fig. 6

Response of the wild-type and D614G spike to LA removal. Average Cα-positional deviations around the first FA site at times 0, 0.1, 1, 3 and 5 ns following LA removal from the FA binding pockets (see Figs. S33-S34 for the responses observed for the other two FA sites). The Cα deviations between the simulations with and without LA were determined for each residue, and the values averaged over the 90 pairs of simulations (Figs. 2, S4 and S25). The structure colours, and cartoon thickness, relate to the average Cα-positional deviations. The location of the LA binding site is highlighted with grey spheres. The subscript letters in the labels correspond to the monomer ID.