BS | BN | log k d a | log k a | ΔG° (kcal/mol) | ΔΔG (kcal/mol) | Nsol | Best Rank | ZDbest | ZD-s | ZDsc | ZDel | ZDdes |
---|---|---|---|---|---|---|---|---|---|---|---|---|
wtb | wt | -5.43 | 8.57 | -19.00 | - | 50 | 1 | 65.5 | 55.6 | 41.6 | 12.0 | 2.0 |
wt | H102A | -0.89 | 8.60 | -12.90 | 6.10 | 49 | 1 | 63.3 | 53.0 | 39.4 | 11.1 | 2.6 |
Y29A | wt | -3.00 | 8.46 | -15.60 | 3.40 | 53 | 1 | 60.4 | 52.7 | 40.1 | 11.0 | 1.6 |
Y29A | H102A | -0.82 | 8.56 | -12.70 | 6.30 | 50 | 1 | 59.5 | 50.7 | 38.1 | 10.6 | 2.0 |
Y29F | wt | -5.62 | 8.48 | -19.10 | -0.10 | 52 | 1 | 63.1 | 54.5 | 41.8 | 10.1 | 2.6 |
Y29F | H102A | -1.35 | 8.59 | -13.50 | 5.50 | 48 | 1 | 61.7 | 51.3 | 38.6 | 10.6 | 2.2 |
D39A | H102A | 1.23 | 8.64 | -10.10 | 8.90 | 50 | 1 | 60.4 | 48.6 | 37.8 | 6.8 | 4.0 |
wt | K27A | -2.35 | 7.71 | -13.60 | 5.40 | 48 | 1 | 61.5 | 52.6 | 40.2 | 9.7 | 2.7 |
D39A | K27A | -0.17 | 7.76 | -10.80 | 8.20 | 48 | 1 | 59.3 | 48.3 | 38.6 | 5.1 | 4.5 |
D35A | wt | -2.42 | 8.28 | -14.50 | 4.50 | 50 | 1 | 58.2 | 51.4 | 38.9 | 9.7 | 2.8 |
E76A | wt | -4.68 | 8.30 | -17.70 | 1.30 | 49 | 1 | 60.6 | 53.1 | 42.2 | 8.5 | 2.4 |