Table 2 Docking results and hypothesis test for each protein wild and mutant docked to cellobiose (affinity score average for poses 1–3). For affinity scores, lower values represent more affinity. Affinity score variation (ΔAS)
From: Glutantβase: a database for improving the rational design of glucose-tolerant β-glucosidases
Substrate (cellobiose) | ||||||
|---|---|---|---|---|---|---|
Mutation | Affinity score (wild; 1–3) | Affinity score (mutant; 1–3) | Variation (ΔAS) | ΔAS expected | p-value | status |
A404V | −4.6347 | −4.6057 | 0.0290 | ΔAS < 0 | 1 | X |
E96K | −4.8509 | −4.8341 | 0.0168 | ΔAS < 0 | 1 | X |
H184F | −4.7473 | −4.7009 | 0.0463 | ΔAS < 0 | 1 | X |
H228T | −4.4806 | −4.6509 | −0.1703 | ΔAS < 0 | < 2.2e-16 | ✓ |
L441F | −4.8407 | −4.8239 | 0.0169 | ΔAS < 0 | 0.9031 | X |
V174C | −5.1818 | −5.1669 | 0.0149 | ΔAS < 0 | 1 | X |