Parameters of protein-protein interfaces for the 3′ complex (with pol-β in closed conformation).

Values are calculated for interface in APEX1 after 0.1 ns intervals of MD simulation. To calculate the ratio of “gap volume/interface area,” the sum of interface areas in APEX1 and pol-β is used in denominator. The free energy of binding was calculated with FOLD-X server.

针对APEX1的相互作用界面，我们于每0.1纳秒的分子动力学（Molecular Dynamics, MD）模拟间隔下计算得到对应数值。为计算「间隙体积/界面面积」比值，以APEX1与pol-β的界面面积之和作为该比值的分母。结合自由能通过FOLD-X服务器完成计算。