Table 4.
ZAFFI Scores, Filter Scores, and measured binding for all measured TCR point mutants.
Chain | Mutant | ZAFFI Score | ZAFFI Filter | Pass1 | ΔΔG2 |
---|---|---|---|---|---|
α | Q30W | −3.00 | 0.46 | N | NB |
α | Q30F | −2.90 | 0.63 | N | NB |
α | Q30Y | −2.37 | 0.66 | N | NB |
α | G28M | −1.88 | 0.03 | Y | −0.51 |
α | Q30M | −1.82 | 0.63 | N | NB |
α | Q30H | −1.59 | 0.47 | N | NB |
α | Q30L | −1.50 | 0.63 | N | NB |
α | S100L | −1.49 | 0.08 | N | NB |
α | R27F | −1.28 | 0.15 | N | −0.22 |
α | S100I | −1.07 | 0.08 | N | NB |
α | D26W | −1.05 | 0.03 | Y | −1.08 |
β | G101A | −1.00 | 0.03 | Y | −1.09 |
α | G28T | −0.97 | 0.01 | Y | −0.76 |
α | S51M | −0.90 | 0.04 | Y | −0.37 |
α | G28I | −0.89 | 0.03 | Y | −0.27 |
α | G100I | −0.89 | 0.00 | Y | NB |
α | K68H | −0.83 | 0.93 | N | 1.09 |
β | A99M | −0.72 | 0.00 | Y | −0.31 |
α | D26M | −0.49 | 0.03 | Y | 0.19 |
α | G28A | −0.46 | 0.03 | Y | 0.58 |
α | R95F | −0.46 | 0.33 | N | NB |
α | S100T | −0.46 | 0.01 | Y | −0.49 |
α | G28L | −0.43 | 0.03 | Y | −0.46 |
α | Q30E | −0.42 | 0.50 | N | 0.43 |
β | E30Y | −0.33 | 0.25 | N | NB |
β | E30F | −0.33 | 0.25 | N | NB |
β | E30W | −0.31 | 0.26 | N | NB |
β | G100S | −0.25 | −0.02 | Y | −0.32 |
α | S100A | −0.19 | 0.07 | N | −0.01 |
β | E30M | −0.18 | 0.25 | N | NB |
α | T93I | −0.17 | 0.04 | Y | NB |
β | A99K | −0.14 | 0.05 | N | 0.1 |
α | S100M | −0.14 | 0.10 | N | NB |
α | S100F | −0.13 | 0.08 | N | NB |
α | G102D | −0.12 | −0.11 | Y | NB |
α | D26V | −0.11 | 0.04 | Y | 1.45 |
β | A99D | −0.10 | −0.01 | Y | NB |
α | G102S | −0.03 | −0.61 | Y | NB |
β | R102Q | −0.03 | 0.14 | N | 0.45 |
α | T98E | −0.01 | 0.62 | N | NB |
α | S29A | 0.00 | 0.02 | Y | 0.33 |
β | E30Q | 0.01 | 0.21 | N | NB |
α | Q30N | 0.10 | −0.32 | Y | 0.73 |
β | E30A | 0.10 | 0.25 | N | NB |
β | L98F | 0.10 | 0.00 | Y | NB |
α | T93Q | 0.22 | −1.49 | Y | NB |
α | S100Y | 0.26 | 0.22 | N | 2.29 |
β | L98I | 0.49 | 0.00 | Y | NB |
β | G101V | 0.51 | 0.03 | Y | NB |
α | G28V | 0.52 | 0.03 | Y | 0.56 |
α | S100Q | 0.52 | 0.10 | N | NB |
α | I54R | 0.54 | −0.74 | Y | 1.28 |
α | D99N | 0.58 | 0.26 | N | NB |
α | S100N | 0.58 | 0.11 | N | 1.92 |
β | G101M | 0.61 | 0.02 | Y | NB |
β | L98M | 0.96 | 0.01 | Y | NB |
α | G28R | 1.65 | −0.51 | Y | 2.43 |
β | A99Y | 1.92 | −0.01 | Y | NB |
β | L98D | 2.48 | 0.09 | N | NB |
Whether the mutant passed the ZAFFI filter, defined by having a filter score less than 0.05.
Measured binding energy change (kcal/mol). NB = no binding detected or unmeasurable binding.