Figure 3.

Experimental and modelled dynamics of Hb. Dependence of the total potential energy for a Hb particle, $\Delta U^{\mathrm{tot}}\left(z_{\mathrm{Hb}}\right)$ , as it translocates through PlyAB from trans to cis on a) the applied bias voltage (at a fixed Hb charge: $q_{\mathrm{Hb}}=-4\mathrm{e}$ ), and b) the particle charge (at a fixed voltage: $V_{\mathrm{b}}=+50\mathrm{mV}$ ). Note that $q_{\mathrm{Hb}}=-4\mathrm{e}$ corresponds to a solution pH‐values of $\mathrm{pH}\approx 7.55$ and $\mathrm{pH}\approx 7.75$ for HbA and HbS, respectively. The approximate pH values corresponding to the plotted charges listed on the graph, and a titration curve can be found in the Supporting Information (Figure S8). Dependence of the fractional occupation of L₂ for HbA and HbS, as measured experimentally and estimated with simulation, on c) the applied bias voltage (at pH 7.5), and d) the solution pH (at $V_{\mathrm{b}}=+50\mathrm{mV}$ ). At pH 7.5, the net charges of HbA and HbS are $-3.74\mathrm{e}$ and $-1.74\mathrm{e}$ , respectively. The shaded areas behind the experimental curves represent the standard deviation ($n=3$ ). The simulation data only show conditions in which the L₂ state is present as a distinct local minimum.