Research Article
Glycosaminoglycan Monosaccharide Blocks Analysis by Quantum Mechanics, Molecular Dynamics, and Nuclear Magnetic Resonance
Table 4
dihedral angle gg/gt/tg (%) conformations distribution for GlcNAc/GalNAc monosaccharide units within hexameric GAGs.
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HA, HA4, HA6, HA46, HA462′, HA463′, HA462′3′, CS, CS4, CS6, CS46, CS462′, CS463′, CS462′3′ stay for (GlcUA-GlcNAc)3, (GlcUA-GlcNAc(4S))3, (GlcUA-GlcNAc(6S))3, (GlcUA-GlcNAc(46S))3, (GlcUA(2S)-GlcNAc(46S))3, (GlcUA(3S)-GlcNAc(46S))3, (GlcUA(23S)-GlcNAc(46S))3, (GlcUA-GalNAc)3, (GlcUA-GalNAc(4S))3, (GlcUA-GalNAc(6S))3, (GlcUA-GalNAc(46S))3, (GlcUA(2S)-GalNAc(46S))3, (GlcUA(3S)-GalNAc(46S))3, and (GlcUA(23S)-GalNAc(46S))3, respectively. |