TABLE 5.

The total and components of the membrane-binding free energy of pAntp to acidic membranes at a reduced temperature of c = 1.3

%PG	ΔGtot* (kT)	ΔGcon† (kT)	ΔGsol‡ (kT)	ΔGCoul§ (kT)	〈z〉¶ (Å)	−kTln(Kapp)‖ (kT)
10	−2.9 ± 0.5	0.5 ± 0.5	0.13 ± 0.02	−4.02 ± 0.04	30.1 ± 0.2	−9.7
20	−9.1 ± 0.7	−0.9 ± 0.7	0.30 ± 0.06	−9.0 ± 0.05	27.0 ± 0.2	−14.2
30	−11.9 ± 1.1	0.4 ± 1.1	0.48 ± 0.02	−13.26 ± 0.09	25.3 ± 0.3	−15.3
40	−14.4 ± 1.5	1.5 ± 1.7	0.46 ± 0.07	−16.8 ± 0.2	24.3 ± 0.3	−16.0

The values represent averages and standard deviations that were calculated based on four different simulations. The position of the smeared surface charge was z_GC = 20 Å and η = 1.0.

^*The total free energy.

^†The conformation free energy.

^‡The solvation free energy.

^§The Coulombic free energy.

^¶The average value of the z-coordinate of the centroid of the chain; the membrane midplane was at z = 0.

^‖As measured by Persson et al. (33).