Figure 3
Plots of occupancy versus temperature factor of the two Thr101 side-chain conformers in the unsoaked (a) and soaked (b) structures. The plotted temperature factors were the average of three atoms (Cβ, Cγ and Oγ atoms) of the Thr101 side chain. Diamonds, rotamer represented by the major-component structure; squares, rotamer represented by the minor-component structure. In the unsoaked structure, occupancies of 64 and 36% for the major and minor rotamers, respectively, gave the same temperature factors; in the soaked structure, occupancies of 78 and 22% for the major and minor rotamers, respectively, provided the same temperature factors. |