Hilario Jovencio, Kubelka Jan, Syud Faisal A, Gellman Samuel H, Keiderling Timothy A
Department of Chemistry, University of Illinois at Chicago, 845 West Taylor Street, 60607- 7061, USA.
Biopolymers. 2002;67(4-5):233-6. doi: 10.1002/bip.10094.
The IR and vibrational circular dichroism (VCD) spectra of a model two-stranded beta hairpin are compared to those of a related cyclic two-stranded model, which are both stabilized by DPro- Gly turns. The spectra are compared to ab initio based simulations to support specific assignments of the dominant features and suggest a revised interpretation of the IR and VCD spectra for beta sheet containing proteins.
将一个模型双链β发夹的红外光谱(IR)和振动圆二色光谱(VCD)与一个相关的环状双链模型的光谱进行比较,这两个模型均由DPro-Gly转角稳定。将这些光谱与基于从头算的模拟进行比较,以支持对主要特征的特定归属,并对含β折叠的蛋白质的红外光谱和振动圆二色光谱提出一种修订的解释。