Figure 5.

The collective motions revealed from the principal component analysis of PAGE4 simulations are shown. (A) Representative cartoon summarizes the collective motions of different phospho-forms of PAGE4. (Top) WT-PAGE4 has a collective motion of contacts formed between the N-terminal end and the central acidic region, resulting in a regulated loop formation. (Middle) In addition to that, HIPK1-PAGE4 has another loop motion in the C-terminal end that is anti-correlated with that in the N-terminus. (Bottom) Hyper-phosphorylation causes the loss of N-terminal loop motion in CLK2-PAGE4. (B) The top two principal component modes generated by the contact-based principal component analysis. We plot the coefficients of the first two principal components PC1 and PC2. Larger coefficients indicate a more significant variation of contact formation in that specific principal mode. The relative sign (shown in colors) of two coefficients corresponds to either correlated (same sign) or anti-correlated (opposite signs) formation of contacts. Here, in HIPK1-PAGE4, the C-terminal loop formation has an anti-correlated behavior compared with the N-terminal loop formation. When PAGE4 becomes hyper-phosphorylated, CLK2-PAGE4 loses both N- and C-terminal motion in the first two principal modes. Adopted from [41].