Skip to main content

Table 1 The populations of major representative conformers of LFO15, LFO10 and LFO5 simulated in GBHCT and GBOBC1 models as determined from clustering analysis and centroid classification

From: Replica exchange molecular dynamics simulations reveal the structural and molecular properties of levan-type fructo-oligosaccharides of various chain lengths

Solvent model Major representative conformer Population (%)
LFO15 LFO10 LFO5
GBHCT Helix-like structure 51.4 50.5 -
Partial helix structure 33.9 34.5 92.8
Zig-zag structure 2.8 6.8 -
Random structure 9.2 8.2 7.2
GBOBC1 Helix-like structure 63.2 57.5 -
Partial helix structure 22.3 25.4 92.5
Zig-zag structure 6.7 8.7 -
Random structure 7.8 8.4 7.5