Simulation systems.

The mutation induces type 2A VWD. Tensile force was applied by pulling the C-terminus at constant velocity from the N-terminus. Three simulations were started for the wild-type and each mutant with and without applied tensile force; they are labeled with 1, 2 and 3, respectively. The pulling runs were started from snapshots sampled during the simulations with no tensile force, more specifically after 10 ns of run XXX_1 and after 10 and 20 ns of run XXX_2, where XXX is either WT or one of the mutations.

该突变可诱发2A型血管性血友病（von Willebrand Disease, VWD）。实验通过以恒定速率从N端牵拉C端的方式施加拉伸力。针对野生型（wild-type, WT）及各突变体，分别在施加与不施加拉伸力的条件下开展了三组模拟，依次以编号1、2、3进行标注。拉伸模拟的初始构象取自无拉伸力条件下的模拟快照，具体为：XXX_1模拟运行10 ns后的构象，以及XXX_2模拟分别运行10 ns和20 ns后的构象，其中XXX可指代WT或任意一种突变体。