Table 2.

Analysis of E_sq/hq in mV.

		XDH	XO	Difference a	XDH+NAD+	XDH+NADH
Esq/hq	experimental	−410b	−234c	−176	n.d.	n.d.
	calculated	−407	−268	−139	−226	−346
	uncharged proteind	−343	−347	4	−406	−400
	reference (water)e	−172	−172	0	−172	−172
Esq/hq shift (from water to protein)	Total	−235	−96	−139	−54	−174
	ΔEsq/hq(charge)f	−64	79	−143	180	54
	ΔEsq/hq(dielectric volume)g	−171	−175	4	−234	−228

^aE_m(XDH) − E_m(XO).

^bAt pH 7.5 ³.

^cAt pH 7.7 ⁴.

^dPrepared by setting atomic charges of all atoms in the protein to zero.

^eSee Ref. ³¹.

^fInfluence of atomic charge of all atoms in the protein.

^gInfluence of uncharged protein dielectric volume (i.e., the space covered by the merged van der Waals volumes of protein atoms).