Table 1. Primary sequences of IDPs investigated in MD simulations: Ash1, CTD2’ of RNA polymerase II, the cytosolic domain of E-Cadherin, and p130Cas with UniProt IDs shown below the name of the IDPs.

The positively and negatively charged residues are colored in cyan and red, respectively. The phosphorylation sites are underlined in purple. For E-Cadherin and p130Cas, the most biologically relevant two phosphorylation sites are shown in larger font size. The net charges of fully unphosphorylated and phosphorylated forms of these IDPs are shown in the right panel.

Protein	Sequence	net charge unphosphorylated	net charge phosphorylated
Ash1 P34233	420SASS$\underset{\_}{\mathrm{S}}$P$\underset{\_}{\mathrm{S}}$PS$\underset{\_}{\mathrm{T}}$PT$\mathrm{K}$SG$\mathrm{K}$M$\mathrm{R}$S$\mathrm{R}$SS$\underset{\_}{\mathrm{S}}$PV$\mathrm{R}$P$\mathrm{K}$AY$\underset{\_}{\mathrm{T}}$P$\underset{\_}{\mathrm{S}}$P$\mathrm{R}$$\underset{\_}{\mathrm{S}}$PNYH$\mathrm{R}$FAL$\mathrm{D}$$\underset{\_}{\mathrm{S}}$PPQ$\underset{\_}{\mathrm{S}}$P$\mathrm{RR}$SSNSSIT$\mathrm{KK}$GS$\mathrm{RR}$SSGS$\underset{\_}{\mathrm{S}}$PT$\mathrm{R}$HTT$\mathrm{R}$VCV500	+15	-5
CTD2’ AAA28868.1	1659FAGSGSNIYSPGNAY$\underset{\_}{\mathrm{S}}$PSSSNY$\underset{\_}{\mathrm{S}}$PNSPSY$\underset{\_}{\mathrm{S}}$PTSPSY$\underset{\_}{\mathrm{S}}$PSSP$\underset{\_}{\mathrm{S}}$YSPT$\underset{\_}{\mathrm{S}}$PCYSPT$\underset{\_}{\mathrm{S}}$PSYSPT$\underset{\_}{\mathrm{S}}$PNYTPVTP$\underset{\_}{\mathrm{S}}$YSPT$\underset{\_}{\mathrm{S}}$PNYSASPQ1741	0	-20
E-Cadherin P12830	735AVV$\mathrm{K}$$\mathrm{E}$PLLPP$\mathrm{EDD}$$\underset{\_}{\mathrm{T}}$$\mathrm{R}$$\mathrm{D}$NV$\underset{\_}{\mathrm{YYY}}$$\mathrm{DEE}$GGG$\mathrm{EED}$Q$\mathrm{D}$F$\mathrm{D}$L$\underset{\_}{\mathrm{S}}$QLH$\mathrm{R}$GL$\mathrm{D}$A$\mathrm{R}$P$\mathrm{E}$VT$\mathrm{R}$N$\mathrm{D}$VAP$\underset{\_}{\mathrm{T}}$LM$\underset{\_}{\mathrm{S}}$VP$\mathrm{R}$$\underset{\_}{\mathrm{Y}}$LP$\mathrm{R}$800	-9	-25
p130Cas P56945	631SIQSR$\mathrm{R}$LP$\underset{\_}{\mathrm{S}}$PP$\mathrm{K}$FTSQ$\mathrm{D}$$\underset{\_}{\mathrm{S}}$P$\mathrm{D}$GQ$\underset{\_}{\mathrm{Y}}$$\mathrm{E}$NS$\mathrm{E}$GGWM$\mathrm{ED}$$\underset{\_}{\mathrm{Y}}$$\mathrm{D}$$\underset{\_}{\mathrm{Y}}$VHLQG$\mathrm{K}$$\mathrm{EE}$F$\mathrm{E}$$\mathrm{K}$TQ$\mathrm{K}$$\mathrm{E}$LL$\mathrm{E}$$\mathrm{K}$GSIT$\mathrm{R}$QG$\mathrm{K}$$\underset{\_}{\mathrm{S}}$QL696	-4	-16