Table 1 Total and hydrophilic surface of CALB in the crystal structure and averaged over the last 1 ns of each simulation in six solvents. Hydrophilic residues are by negative Eisenberg
From: Modeling structure and flexibility of Candida antarctica lipase B in organic solvents
solvent | total surface [Å2] | hydrophilic surface [Å2] |
|---|---|---|
crystal structure | 12043 | 6071 |
water | 12659 | 6410 |
methanol | 12564 | 6069 |
chloroform | 12281 | 5828 |
isopentane | 12157 | 5858 |
toluene | 12115 | 5838 |
cyclohexane | 12014 | 5710 |