TABLE 2.
Rosetta ΔΔG scores of E2412–423 alanine and HC33.1 escape mutants
| Mutant | ΔΔG scorea |
|---|---|
| Q412A | 0.4 |
| L413A | 2.4 |
| I414A | 0.5 |
| N415A | 0.1 |
| T416A | 1.3 |
| N417A | −0.1 |
| G418A | −0.6 |
| S419A | 0.9 |
| W420A | 5.4 |
| H421A | 1.9 |
| I422A | 1.0 |
| N423A | 0.0 |
| L413I | 1.7 (1.9) |
| N417T | 0 (0.1) |
| S419N | 0.6 (0.4) |
a The Rosetta ΔΔG score was calculated with rotamer-based packing of the mutant residue, and for non-alanine mutants, backbone, and off-rotamer side chain, minimization of mutant and interface residues was also performed (in parentheses). Predicted substantially destabilizing mutants (ΔΔG scores >1.5) are shown in bold type.