Molecule simulation of RGD-hirudin. (A) Amino acid sequence alignment of RGD-hirudin, chain I of hirudin variant 2 from the hirudin-thrombin complex (PDB ID: 4HTC) and the NMR solution structure of chain A of recombinant RGD-hirudin (PDB ID: 2JOO). (B) Ramachandran plot of the selected RGD-hirudin model. The distribution of the RGD-hirudin residues (black dots) are shown in color: most favorable (red), additional allowed (yellow), generously allowed (light yellow), and disallowed (white) regions. (C) Homology modeling of the RGD-hirudin structure.