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

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


Trodler and Pleiss BMC Structural Biology 2008 8:9   doi:10.1186/1472-6807-8-9

Open Data