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Figure 3: Energy minimization of Lys61 and Lys172. Displayed is the residues within 4Å of Lys 61 and Lys172 (highlighted with sticks) from 3DDK (magenta carbons) and 3CDU (yellow carbons) plus their minimized versions shown in cyan carbons and green carbons, respectively There is significant movement between the structures for many of the residues in this region however, only the wide variety of possible side-chain orientations for Lys61 and Lys172 seemed to significantly impact the docking. |