Figure 8.

Constant-velocity steered-MD.A, pull coordinate defined as the distance vector between Ca²⁺ and the center of mass of the C_α-atoms of residues 257, 264, 281, 282, 293, and 294. B, maximal pulling force observed acting on Ca²⁺ during simulations of langerin in various states as notched box representation. The orange line represents the median, while the box enframes the interquartile range. The box notches indicate the 95% confidence interval on the median. Points lying beyond 1.5 times the edges of the box are regarded as outliers (+), and the whiskers mark the data range without outliers. C, example for a force trajectory with a rupture event at about 12 ns. Maximum force indicated by an arrow.