Fig. 6.

Conformers explored by hexosamines that underwent ⁴C₁ ↔ ¹C₄ transitions during 20 μs explicit solvent simulations: (A) GlcNAc, (B) 1-OMe-GlcNAc and (C) GlcNS6S. Puckers are plotted in spherical Cremer–Pople phase space with the ¹S₅-conformer orientated at the front. Hence, data points at the front (black) and back (gray) of the sphere denote puckers with φ-values in the range 180–360° and 0–180°, respectively. The skew boat and boat labels (S and B, respectively) are situated above or below their positions on the equator. The half-chairs (H) are labeled adjacent to their positions on the sphere.