Fig 3. Tuning the protein-water interaction strength of the Martini force field.

We varied the protein-water interaction strength by a factor λ, and calculated ${\chi }_r^2$ for each dataset (A-D). Vertical grey lines are the values of λ giving the best fit to the given dataset. No vertical line is given for SANS at 42% D2O as the variation is ${\chi }_r^2$ is very small. (E) Average R_g as calculated directly from the simulation. The horizontal red line is the value of R_g determined from the SAXS data.