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Cavity-filling motions in the Ω loop. Residues R45, R65, and N175 are shown as sticks. (a) Crystal structure 1XPB (simulation starting point). (b) N175 approaches the protein core; a hydrogen bond is formed between N175 Oδ and R43 Nη; first simulation, at 9.0 ns. (c) R65 side chain rotates toward the cavity, partially filling it; third simulation, at 3.0 ns.
