TABLE 2.
The total and components of the free energy of interaction between K7 and a membrane composed of 33% acidic lipids at different reduced temperatures, c
| Reduced temperature | ΔGtot* (kT) | ΔGcon† (kT) | ΔGsol‡ (kT) | ΔGCoul§ (kT) | 〈z〉¶ (Å) |
|---|---|---|---|---|---|
| 1.2 | −13.7 ± 0.5 | −0.2 ± 0.55 | 1.09 ± 0.01 | −15.14 ± 0.06 | 24.93 ± 0.09 |
| 1.3 | −13.2 ± 0.4 | 0.6 ± 0.4 | 1.09 ± 0.01 | −15.37 ± 0.04 | 24.92 ± 0.05 |
| 1.4 | −14.0 ± 0.2 | −0.2 ± 0.3 | 1.10 ± 0.01 | −15.39 ± 0.08 | 24.91 ± 0.1 |
The results that were obtained using the value of c that was used throughout the calculations are marked in bold fonts. The values represent averages and standard deviations that were calculated based on four different simulations. The position of the surface of smeared charges was zGC = 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.