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Table 3 Distance between Ubiquinone and Heme interacting

From: Revealing the functionality of hypothetical protein KPN00728 from Klebsiella pneumonia e MGH78578: molecular dynamics simulation approaches

Interaction MD result (Å) Docking result (Å)
TYR83@OH and UQ@O1 2.68 ± 0.49 2.58
ARG31@NH1 and UQ@O2 4.40 ± 1.26 3.83
SER27@OG and UQ@O3 8.83 ± 2.84 2.68
HIS84@ND and HEME@FE 7.07 ± 0.43 3.25
HIS71@ND and HEME@FE 6.43 ± 0.79 1.29