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 |
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.
VDW, van der Waals energy.