Fig. 4.

CVLS predicted hexasaccharide sequences from the GlcN_NRE (A) and UA_NRE libraries (B) containing 54,872 sequences each. Shown are overlays of the docked poses of hexasaccharide sequences that bind AT with “high specificity” by satisfying the dual-filter strategy. (A) Twenty-four sequences (blue sticks) from the GlcN_NRE library and (B) 24 sequences (blue sticks) from UA_NRE hexasaccharide library. Helices A (hA), D (hD) and P (hP) of antithrombin are shown in ribbon form and residues Arg132, Arg129, Lys125 and Arg114 are shown in ball and stick display. The crystal structure of DEFGH in green ball and sticks display is shown to highlight correspondence with the CVLS predicted poses.