Inter-subunit cavity properties.

Average volume and number of solvent molecules in each inter-subunit cavity, as well as cavity averages, computed over the second half (500 ns) of each simulation. Errors are standard deviations.aVolume computed using mdpocket module of the Fpocket package, expressed in Å3.bAverage number of molecules computed.本数据集统计了各亚基间空腔（inter-subunit cavity）的平均体积、腔内溶剂分子的平均数量，以及空腔整体的平均统计量，所有数据均基于各次模拟的后半段（500 ns）计算得到。误差以标准差表示。a 体积通过Fpocket软件包的mdpocket模块计算得出，单位为埃立方（ų）。b 统计值为平均分子数。