Table 4.

RMSD and displacement (d), both in Å, for the quinone ring carbons occupying the Q_B site calculated from the simulations relative to the proximal Q_B position observed in the 32 R. sphaeroides RC crystal structures with better than 2.8 Å resolution. The reported mean (μ) and standard deviations (σ) exclude when 3MeO-Q was in the distal site, however for UbiQ and 2MeO-Q, the entire 300 ns trajectory was considered when computing the average.

Quinone	RMSD	d
UbiQ	0.75 ± 0.27	0.65 ± 0.29
2MeO-Q	0.72 ± 0.18	0.57 ± 0.19
3MeO-Q	0.97 ± 0.38	0.89 ± 0.40