VIBRATIONAL ANALYSIS OF PEPTIDES, POLYPEPTIDES, AND PROTEINS .1. POLYGLYCINE I
VIBRATIONAL ANALYSIS OF PEPTIDES, POLYPEPTIDES, AND PROTEINS .1. POLYGLYCINE I
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DOI：
10.1002/bip.1976.360151210
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发表时间：
1976-01-01
期刊：
影响因子：
2.9
通讯作者：
KRIMM, S
中科院分区：
文献类型：
--
作者：
MOORE, WH;KRIMM, S
针对聚甘氨酸1的反平行链波纹片结构改进了力场。过渡偶极耦合和氢键被明确考虑。酰胺I和酰胺II模式分裂很好地占，后者提供了一个定量解释的酰胺A和酰胺B模式的频率和强度。除了预测聚甘氨酸I的振动光谱的其它特征之外，该力场完全可转移到其它β-聚甘氨酸I。多肽，即使这些具有反平行链折叠片结构。
A force field was refined for the antiparallel chain-rippled sheet structure of polyglycine 1. Transition dipole coupling and H bonding are explicitly taken into account. Amide I and amide II mode splittings are well accounted for, the latter providing a quantitative explanation of the amide A and amide B mode frequencies and intensities. In addition to predicting other features of the vibrational spectrum of polyglycine I, this force field is completely transferable to other .beta. polypeptides, even though these have the antiparallel chain-pleated sheet structure.