Figure 4From: Structural effects of clinically observed mutations in JAK2 exons 13-15: comparison with V617F and exon 12 mutationsvan der Waals contact energies between different groups for each JAK2 mutant. Three sets of van der Waals contact energies were calculated (also see the main text): vdw(JH1:A, JH2:C) is the van der Waals contact between the JH1 activation-loop (residues 995 to 1005) and the JH2 C-helix (resides 585 to 595), colored white; vdw(JH1:A, JH2:V) is the van der Waals contact between the JH1 activation-loop and JH2 residues 614 to 619, colored light gray; and vdw(JH1:A, JH2:CV) represents the summation of the above two terms, colored dark gray. A larger (magnitude) van der Waals contact indicates a stronger interface. Wild-type JAK2 (WT) has the strongest interactions whereas a deleterious mutant, such as 14-del, will have very weak interactions. The error bars indicate the standard deviations of the calculated values from the last 30-ns trajectory for each mutant. Entries were obtained with a sampling frequency of 10 ps (i.e., 3,000 sample data points for each mutant simulation).Back to article page