Figure 2
From: Role of water and protein dynamics in proton pumping by respiratory complex I
Hydration of the protein subunits based on simulations of setup I (black) and setup II (red) with Qox and QH2, respectively (see also Table 1). Number of water molecules is plotted (ordinate) vs the simulation time (abscissa, in ns). Only water molecules (oxygen atom) within 4 Å of the selected amino acids are considered in the analysis (see Supplementary Table S1).
