TABLE 2.
ILA1-A2-ILA contact summary
Buried surface area, 2507.2 Å2; surface complementarity for TCR-MHC, 0.635; surface complementarity for TCR-peptide, 0.707; surface complementarity for TCR-pMHC, 0.641; crossing angle, 51.8°, calculated as described previously (37). vdW, van der Waals; FW, framework region.
| vdW (≤4 Å) | H-bonds (≤3.4 Å) | Salt bridges (≤3.4 Å) | |
|---|---|---|---|
| MHC | 58 | 6 | 2 |
| Peptide | 49 | 4 | 1 |
| Peptide Lys-4 | 20 | 2 | 1 |
| Peptide Trp-8 | 19 | 2 | 0 |
| TCRα | 62 | 7 | 3 |
| CDR1α | 16 | 2 | 0 |
| CDR2α/FW | 9 | 2 | 2 |
| CDR3α | 37 | 3 | 1 |
| TCRα Asp-97 | 6 | 2 | 0 |
| TCRα Arg-68 | 4 | 0 | 2 |
| TCRβ | 45 | 3 | 0 |
| CDR1β | 13 | 0 | 0 |
| CDR2β | 7 | 0 | 0 |
| CDR3β | 25 | 3 | 0 |
| TCRβ Gln-96 | 18 | 3 | 0 |
| Total contacts | 107 | 10 | 3 |