We introduce a new hydrogen bonding potential of mean force generated from high-quality crystal structures for use in Xplor-NIH structure calculations. This term applies to hydrogen bonds involving both backbone and sidechain atoms. When used in structure refinement calculations of 10 example protein systems with experimental distance, dihedral and residual dipolar coupling restraints, we demonstrate that the new term has superior performance to the previously developed hydrogen bonding potential of mean force used in Xplor-NIH.

中文翻译：

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在Xplor-NIH蛋白结构测定中改善骨架和侧链氢键几何结构的平均力的三维潜力。

我们介绍了一种用于Xplor-NIH结构计算的由高质量晶体结构产生的平均力的新氢键势。该术语适用于涉及主链和侧链原子的氢键。当用于具有实验距离，二面体和残留偶极耦合约束条件的10个示例蛋白质系统的结构优化计算时，我们证明了新术语比以前开发的Xplor-NIH中使用的平均力氢键势具有优越的性能。