Table 4. Residues in the superantigens affected by in silico alanine-scanning mutagenesis.
| Residue | ΔΔGcomplex | Residue | ΔΔGcomplex |
|---|---|---|---|
| SEA-hTRBV7-9 | SEE-hTRBV7-9 | ||
| Thr21 | 1.34 | Asn21 | 2.10 |
| Asn25 | 1.07 | Gln28 | 1.43 |
| Tyr32 | 1.40 | Tyr32 | 2.17 |
| Trp63 | 4.84 | Trp63 | 5.24 |
| Tyr94 | 1.72 | Tyr94 | 1.91 |
| Phe175 | 3.03 | Phe175 | 3.54 |
| Tyr205 | 1.37 | Tyr205 | 1.28 |
| SEB-mTRBV13-2 | SEC3-mTRBV13-2 | ||
| Leu20 | 1.76 | Asn23 | 0.96 |
| Asn23 | 1.50 | Tyr26 | 1.01 |
| Tyr90 | 1.27 | Tyr90 | 1.43 |
| Tyr91 | 1.68 | Val91 | 1.00 |
| Phe177 | 3.24 | Phe174 | 2.84 |
| SEB-hTRBV19 | SEH-hTRAV27 | ||
| Leu 20 | 2.02 | Leu12 | 1.46 |
| Asn23 | 2.58 | Asn16 | 4.09 |
| Leu58 | 0.99 | Asn51 | 1.34 |
| Asn60 | 1.79 | Tyr79 | 2.97 |
| Tyr90 | 1.52 | Ile89 | 1.02 |
| Tyr91 | 1.85 | ||
| Arg110 | 1.44 | ||
| Phe177 | 3.31 | ||
ΔΔGcomplex values are shown in kcal/mol. The conserved asparagine and residues in the hydrophobic pair are underlined.