VIBRATIONAL ANALYSIS OF PEPTIDES, POLYPEPTIDES, AND PROTEINS .2. BETA-POLY(L-ALANINE) AND BETA-POLY(L-ALANYLGLYCINE)
VIBRATIONAL ANALYSIS OF PEPTIDES, POLYPEPTIDES, AND PROTEINS .2. BETA-POLY(L-ALANINE) AND BETA-POLY(L-ALANYLGLYCINE)
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DOI：
10.1002/bip.1976.360151211
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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
使用前一篇论文中聚甘氨酸 I 的力场加上甲基的附加力常数，计算了反平行链折叠片结构中聚（L-丙氨酸）和聚（L-丙氨酰甘氨酸）的法向振动频率。与观察到的红外波段和拉曼波段的一致性很好。这证实了力场的优异可传递性，因为聚甘氨酸 I 具有波纹片结构。酰胺 I 和酰胺 II 模式分裂可以通过过渡偶极耦合很好地解释，表明通过这种机制可以敏感地表现出微妙的结构差异。
The normal vibration frequencies of poly(L-alanine) and poly(L-alanylglycine) in the antiparallel chain-pleated sheet structure were calculated, using the force field for polyglycine I from the previous paper plus additional force constants for the methyl group. The agreement with observed IR and Raman bands is good. This substantiates the excellent transferability of the force field, since polyglycine I had rippled-sheet structure. The amide I and amide II mode splittings are well accounted for by transition dipole coupling, showing that subtle structural differences are sensitively manifested through this mechanism.