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Figure 4 | BMC Structural Biology

Figure 4

From: Structural effects of clinically observed mutations in JAK2 exons 13-15: comparison with V617F and exon 12 mutations

Figure 4

van 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).

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