Table 8 Changes in binding free energies between HSV-1 gD - HEVM complex resulting from the replacement of HSV-1 gD residues with BV gD ones
From: Herpes B virus gD interaction with its human receptor - an in silico analysis approach
HSV-1 gD mutant | ΔΔG (kcal mol −1 ) | |
|---|---|---|
Position | Substitution | |
4 | Leu → Pro | 0.004 |
5 | Ala → Val | −0.495 |
6 | Asp → Glu | −0.044 |
7 | Ala → Arg | −0.631 |
10 | Lys → Thr | 1.591 |
11 | Met → Arg | 1.751 |
12 | Ala → Val | 1.016 |
13 | Asp → Asn | 0.245 |
15 | Asn → Gly | 0.909 |
20 | Lys → Ala | 0.051 |
21 | Asp → His | 0.081 |
23 | Pro → Ala | 0.713 |
24 | Val → Pro | 0.204 |
26 | Asp → Glu | −0.230 |
28 | Leu → Lys | 0.219 |
total | 5.387 | |