. 2017 Aug 11;18(Suppl 5):566. doi: 10.1186/s12864-017-3912-2

Table 3.

PISA and POSPCOMP Interface Analysis at 0 and 600 ns MD snapshots

	Ebola VP24–KPNA5 complex	Reston VP24–KPNA5 complex
PISA results
PISA results at 0 ns
Interface Area (Å²)	1099.7	1055.1
Solvation Free Energy (ΔiG, Kcal/M)	−8.5	−8.6
Hydrogen bonds	9	11
PISA results at 600 ns
Interface Area (Å²)	1119.2	1076
Solvatation Free Energy (ΔiG, Kcal/M)	−10	−9.1
Hydrogen bonds	7	11
POPSCOMP results after minimisation
Hydrophobic difference (Å²)	1042.28	1002.35
Hydrophilic difference (Å²)	772.73	713.95
Total difference (Å²)	1815.06	1716.43