Figure 6

Correlation of inter- and intra-loop hydrogen bond formation during MD simulation. Correlation coefficients of hydrogen bond formation rates are shown on the structure of ConI. L3, L4, L5, and L6 represent the intra-loop bonds. L2--L4, L2--L6, and L3--L5 indicate the inter-loop bonds. Lac-R28 and Lac-R47 are the bonds between the residues and lactose. The colors of the arrows connecting the labels indicate the degree of correlation from positive (red) to negative (blue), as shown in the color bar.