Table 3.
Scoring terms, individual correlations with measured TCR binding energies, and change (loss) in correlation when removing term from ZAFFI scoring function (marked “−” for terms not in ZAFFI scoring function).
Term | Correlation | Corr. Change |
---|---|---|
vdW_atr | −0.01 | 0.28 |
vdW_rep | 0.12 | 0.19 |
solv | 0.48 | 0.39 |
HB | −0.12 | - |
intra | 0.08 | 0.05 |
SR elec | −0.09 | - |
LR elec | 0.10 | - |
BB prob | 0.20 | - |
ACE | 0.42 | 0.10 |
IFACE | 0.07 | - |
DFIRE | 0.14 | - |