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. 2016 May 13;12(5):e1004935. doi: 10.1371/journal.pcbi.1004935

Table 2. Sequences of cAD-like motifs used in MD simulations.

GCN481–100 (original sequence) MKTVLPIPELDDAVVESFFSSGSGSGS
cAD-like07 aceMKTVLPIPELDDAVWESLFSSGSGSGSnme
cAD-like96 aceMKTVLPIPELDDAWWWWLFWSGSGSGSnme

The sequences correspond to the motifs tested experimentally under in vivo conditions [42]. The key hydrophobic residues required for AD function are shown in bold, and the linker sequence used to link the AD to the GCN4 DNA-binding domain in italics. For MD simulations, these structures were created as unfolded polypeptide chains with charge-neutralized termini (ace and nme for N- and C-termini, respectively).