Table 2.
Contribution of 5T4111–130 peptide residues to HLA binding
| Residue | Register | Peptide to HLA contacts |
||
|---|---|---|---|---|
| vdWa | H-bondsb | Total | ||
| N-terminal peptide-flanking residues | ||||
| Arg-(−3) | P(−3) | 23 | 3 | 26 |
| Pro-(−2) | P(−2) | 9 | 1 | 10 |
| Pro-(−1) | P(−1) | 8 | 1 | 9 |
| Peptide-binding core residues | ||||
| Leu-1 | P1 | 15 | 1 | 16 |
| Ala-2 | P2 | 9 | 2 | 11 |
| Glu-3 | P3 | 11 | 0 | 11 |
| Leu-4 | P4 | 21 | 3 | 24 |
| Ala-5 | P5 | 5 | 2 | 7 |
| Ala-6 | P6 | 11 | 1 | 12 |
| Leu-7 | P7 | 13 | 1 | 14 |
| Asn-8 | P8 | 9 | 1 | 10 |
| Leu-9 | P9 | 21 | 1 | 22 |
| C-terminal peptide-flanking residues | ||||
| Ser-10 | P10 | 9 | 2 | 11 |
| Ser-12 | P12 | 4 | 0 | 4 |
| Leu-20 | P20 | 1 | 0 | 1 |
| Totals | ||||
| No. of contacts with PFRs | 54 | 7 | 61 | |
| N-PFRs | 40 | 5 | 45 | |
| C-PFRs | 14 | 2 | 16 | |
| No. of contacts with core | 115 | 12 | 127 | |
| No. of total contacts | 169 | 19 | 188 | |
a vdW, van der Waals (≤4.0 Å cut-off).
b H-bond, hydrogen bonds (≤3.4 Å cut-off).