. 2017 Oct 31;121(47):10648–10656. doi: 10.1021/acs.jpcb.7b10584

Table 1. Information on the Four Systems Simulated Here^a.

protein	state	protein [e]	Na⁺	Cl^–
NAF-1	protonated	+4	22	26
NAF-1	deprotonated	+2	22	24
mNT	protonated	0	24	24
mNT	deprotonated	–2	26	24

The protonation states of His87 in mNT and His114 in NAF-1, the number of Na⁺ and Cl^– ions, and the total charge of the proteins are reported.

Table 1. Information on the Four Systems Simulated Herea.