Table 2.

Average distances (mean $\pm$ SD in Ångstroms) between E14 carboxyls and three stabilizing atoms in the active site

	EmrE-TPP	apoEmrE
E14[1]CD/W63[1]NE	4.3 $\pm$ 1.4	5.3 $\pm$ 1.1
E14[1]CD/Y40[1]OH	7.0 $\pm$ 1.3	6.9 $\pm$ 1.9
E14[1]CD/Y60[1]OH	4.5 $\pm$ 1.2	5.3 $\pm$ 1.3
E14[2]CD/W63[2]NE	3.5 $\pm$ 0.3	4.3 $\pm$ 1.2
E14[2]CD/Y40[2]OH	6.4 $\pm$ 0.4	6.2 $\pm$ 0.8
E14[2]CD/Y60[1]OH	7.4 $\pm$ 1.0	10.1 $\pm$ 1.5

Data are shown for two simulation ensembles, apoEmrE and EmrE with TPP bound. The number in square brackets indicates the monomer, in correspondence with Figs. 1 and 2.