Figure 6

Possible origins of S591L mutational effects derived from the snapshots of various mutant simulations at 0 and 44 ns. Color codes are the same as in Figure 1. At the very beginning of simulations (0 ns), S591L has the same conformation as wild-type JAK2 (WT). At 44 ns, the JH1/JH2 interface is well formed in WT while L591 forms hydrophobic contacts with nearby F595, L583, and A586, totally disrupting the JH1/JH2 interface.