Figure S6.

Contact analysis for LIN constant binders in AA simulations. (A) Histograms of total interaction time and longest lifetime of each residue within 6 Å of the LIN constant binders at site Iα, site Iβ, and site II. The identified binder residues (i.e., those residues that are in direct interaction with the LIN constant binder) are colored according to Fig. 4 onto the histograms. (B) Comparison of AA contact analysis between LIN and STE. Histograms of total interactions time and longest lifetime of each residue within 6 Å of the LIN and STE UQ binders at the identified interaction sites Iα, Iβ, and II. The identified binder residues are colored according to Fig. 4 onto the histograms. We distinctly see how the STE UQ binders fail to interact with the channel at site II, where no residues with high interaction time and lifetime were found. We do, however, observe STE to bind to both sites Iα and Iβ, albeit with notable differences in longest lifetime and total interaction time with residues from S5 compared with LIN.

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