Average number of hydrogen bondsa (H-bonds) and charge pairsb formed by steroids with the surrounding lipids and water.
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*(per POPC, or per PSM).aThe presence of H-bonds was evaluated based on distance and angle criteria: the donor- acceptor distance had to be less than or equal to 0.325 nm, and the angle between the vector linking a donor and an acceptor, and the vector describing the chemical bond between hydrogen and a donor had to be less than or equal to 35°.bThe existence of charge pairs was determined using the distance cut-off of 0.4 nm.Errors are less than 0.01.Average number of hydrogen bondsa (H-bonds) and charge pairsb formed by steroids with the surrounding lipids and water.
*(以每POPC或每PSM为单位)。
a. 氢键(hydrogen bond,H-bond)的存在性基于距离与角度准则进行评估:供体-受体距离需小于等于0.325 nm,且连接供体与受体的向量与氢-供体化学键对应的向量之间的夹角需小于等于35°。
b. 电荷对(charge pair)的存在性通过0.4 nm的距离截断阈值进行判定。
误差小于0.01。
本数据集统计了类固醇与周围脂质及水分子所形成的氢键(a)与电荷对(b)的平均数量。
创建时间:
2015-12-02



