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. 2004 Sep;78(18):10034–10044. doi: 10.1128/JVI.78.18.10034-10044.2004

TABLE 5.

Overall contact statistics

Complexa Buried surface (Å2) No. of H-bonds No. of ion pairs No. of other interactions Total no. of interactions Energy (kcal/mol)
H-bond Electrostatic interaction VDW interactionb Total interaction
HRV14-ICAM-1 1,431.2 36 11 37 73 −67.8 −909.5 −75.2 −1,052.6
HRV16-ICAM-1 1,274.8 27 9 26 53 −47.6 −614.5 −75.2 −737.3
HRV14-ICAM-1Kilifi 1,421.8 35 10 39 74 −53.4 −775.4 −80.3 −909.1
HRV16-ICAM-1Kilifi 1,254.1 26 7 29 55 −48.5 −508.5 −92.3 −643.3
a

ICAM-1Kilifi does not bind to HRV16. Therefore, the results for HRV16-ICAM-1Kilifi were calculated by modeling the Lys29 of ICAM-1 in the HRV16-ICAM-1 complex as a Met.

b

VDW, van der Waals energy.