Table 8.
p-NPC2 | EvdW | Eele | Etotal | p-NPC4 | EvdW | Eele | Etotal |
---|---|---|---|---|---|---|---|
Trp30 | −2.68 | −0.13 | −2.81 | Gly120 | −1.28 | −0.04 | −1.32 |
Ser31 | −1.14 | −0.66 | −1.80 | Trp143 | −2.78 | −0.02 | −2.80 |
Pro96 | −1.16 | −0.10 | −1.26 | Val149 | −2.34 | 0.08 | −2.42 |
Ser97 | −1.01 | −0.06 | −1.07 | Ser150 | −1.21 | −0.04 | −1.25 |
Ala173 | −1.39 | 0.13 | −1.26 | ||||
Tyr175 | −1.60 | 0.11 | −1.49 | ||||
Total | −8.98 | −0.71 | −9.69 | Total | −7.61 | −0.02 | −7.63 |
p-NPC8 | EvdW | Eele | Etotal | p-NPC10 | EvdW | Eele | Etotal |
Trp30 | −2.14 | 0.22 | −1.92 | Gly146 | −1.35 | −0.22 | −1.57 |
Ser31 | −1.14 | −0.89 | −2.03 | Glu148 | −1.47 | 0.43 | −1.04 |
Phe32 | −1.42 | 0.13 | −1.29 | Val149 | −1.10 | 0.02 | −1.08 |
Ala173 | −0.93 | −0.11 | −1.04 | Ala170 | −1.08 | −0.01 | −1.09 |
Gly171 | −1.20 | 0.19 | −1.01 | ||||
Ala173 | −1.02 | 0.01 | −1.01 | ||||
Total | −5.63 | −0.65 | −6.28 | Total | −7.22 | 0.42 | −6.80 |