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. Author manuscript; available in PMC: 2009 Jul 4.
Published in final edited form as: J Mol Biol. 2008 Apr 8;380(2):415–424. doi: 10.1016/j.jmb.2008.04.001

Figure 4.

Figure 4

Prediction of binding site coordinates for bevacizumab-VEGF (1BJ1), unbound VEGF (2VPF), and unbound RBP (1URP). For bevacizumab-VEGF, the following 23 residues were repacked, using 6028 rotamers per position: V17, V21, W48, W79, W81, W82, W83, W91, W93, H28, H30, H31, H32, H54, H55, H99, H101, H102, H103, H105, H106, H107, H108. V and W are VEGF chains, H and L are antibody heavy and light chains. For unbound VEGF and RBP, the same set of residues were predicted as the bound structure.