Table 1 Thermodynamic values of the water molecules around the AFPs at 260 K.
AFP | Site | Total Free Energy ΔGSolv | Total Entropy TΔS | Total Enthalpy ΔE | Solute-Water Enthalpy ΔESW | TΔS/ΔESW |
|---|---|---|---|---|---|---|
wfAFP | IBS | −2.8 ± 1.1 | −32.9 ± 1.1 | −35.7 ± 1.4 | −64.3 ± 3.6 | 0.51 ± 0.02 |
RIBS | −3.5 ± 1.2 | −26.6 ± 0.5 | −30.0 ± 1.0 | −58.4 ± 2.7 | 0.46 ± 0.03 | |
RNIBS | −22.6 ± 3.8 | −29.7 ± 1.4 | −52.3 ± 5.1 | −97.8 ± 10.4 | 0.31 ± 0.02 | |
NIBS | −50.2 ± 6.6 | −40.7 ± 1.4 | −90.9 ± 8.0 | −166.1 ± 15.3 | 0.25 ± 0.01 | |
sbwAFP | IBS | −6.7 ± 1.4 | −51.2 ± 3.1 | −57.9 ± 2.3 | −118.3 ± 4.8 | 0.43 ± −0.03 |
NIBS1 | −80.7 ± 2.0 | −69.1 ± 4.3 | −149.8 ± 5.6 | −295.6 ± 11.4 | 0.23 ± −0.02 | |
NIBS2 | −72.0 ± 2.9 | −72.1 ± 2.7 | −144.1 ± 5.4 | −275.3 ± 9.3 | 0.26 ± −0.01 | |
mwAFP | IBS | −5.6 ± 1.4 | −48.1 ± 2.7 | −53.7 ± 2.9 | −101.7 ± 4.3 | 0.47 ± −0.03 |
NIBS1 | −39.3 ± 3.3 | −47.0 ± 1.4 | −86.3 ± 3.6 | −160.0 ± 7.4 | 0.29 ± −0.02 | |
NIBS2 | −48.4 ± 2.9 | −47.2 ± 1.0 | −95.7 ± 3.6 | −173.6 ± 6.9 | 0.27 ± −0.01 | |
NIBS3 | −40.0 ± 3.5 | −43.1 ± 2.2 | −83.0 ± 3.9 | −166.5 ± 8.7 | 0.26 ± −0.02 |
