Study on the Hydration Shell of Single-helical of Konjac Glucomannan

The local maxima of water density in the space near the single-helical of Konjac glucomannan as well as the dominant conformation of the system was studied by molecular dynamics under the water environment. The results indicate that the hydration shell, potential energy, and its hydrogen bond network with water bridges of the left-handed single-helix conformation was favored compared to those of right-handed single-helix conformation. This work suggests that the left-handed single-helix conformation was the dominant conformation of KGM in the water environment.