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. 2013 Jun 11;9(7):2981–2991. doi: 10.1021/ct400279d

Figure 5.

Figure 5

(a) Correlation between DDEC partial atomic charges and the AMBER ff99SB force field for ubiquitin. (b) Electrostatic contribution to the backbone hydrogen bond energies in the X-ray crystal structure of ubiquitin. The x-axis denotes the protein donor/acceptor residues involved. DDEC charges give slightly more negative hydrogen bond energies, indicating enhanced stabilization.