Table 3.
Mutation energy (ΔΔG) between SARS-CoV-2 spike mutants and the WT/optimized P2B-2F6 antibodies.
| Spike Mutants | Impact on binding strength |
||
|---|---|---|---|
| WT P2B-2F6 | H:V106R | H:V106 R/H:P107Y | |
| E484Ka | Decrease | Decrease | Decrease |
| S494P | Neutral | Increase | Increase |
| L452R | Decrease | Increase | Increase |
| S477N | Neutral | Increase | Increase |
| T478K | Neutral | Increase | Increase |
| N501Y | Neutral | Increase | Increase |
| N439K | Neutral | Increase | Increase |
| E484K/N501Yb | Decrease | Decrease | Decrease |
| K417N/E484K/N501Yc | Decrease | Decrease | Decrease |
Increase in binding strength equates to the mutation energy ΔΔG < −0.5 kcal/mol.
Neutral in binding strength equates to the mutation energy −0.5 < ΔΔG <0.5 kcal/mol.
Decrease in binding strength equates to the mutation energy ΔΔG >0.5 kcal/mol.
a. The mutation energy: H:V106R/H:P107Y (1.16 kcal/mol) < WT P2B-2F6 (2.57 kcal/mol) < H:V106R (2.67 kcal/mol). b. The mutation energy: H:V106R/H:P107Y (1.47 kcal/mol) < WT P2B-2F6 (2.50 kcal/mol) < H:V106R (3.40 kcal/mol). c. The mutation energy: H:V106R/H:P107Y (0.75 kcal/mol) < WT P2B-2F6 (2.02 kcal/mol) < H:V106R (2.75 kcal/mol).