Table 2

Total B-factors (sum of B-factors per residue) of CALB averaged over the last 1 ns of each simulation in six solvents

CALB in solvent

total B-factor [Å2]


water

5267 ± 396

methanol

4385 ± 122

isopentane

4013 ± 78

chloroform

3648 ± 215

toluene

3318 ± 103

cyclohexane

3216 ± 80


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

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