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X-ray crystal structure data of the bovine 20S proteasome were taken from the Protein Data Bank with the accession code 1IRU. The complex model structure was optimized with the Discover program of Insight II (Accelrys). The CH/π interactions were detected by the CHPI program (M. Nishio, M. Hirota, and Y. Umezawa The CH/π Interaction. Evidence, Nature, and Consequences 1998 Wiley-VCH New York). This program was written in order to search for the short contacts between the CH groups and π system in protein structures, and is able to detect XH/π interactions (X = C, N, O, and S) based on bond length and angle parameters
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20
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85102984831
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note
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11 20S proteasome was prepared from human leukemia HL-60 cells
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