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Table 1 Predicted effect on Ebola VP24-KPNA5 complex stability by mutations in Ebola VP24

From: Investigating Ebola virus pathogenicity using molecular dynamics

Mutation

mCSM stability

(ΔΔG - kcal/mol)

mCSM PP affinity

(ΔΔG - kcal/mol)

FoldX stability

(ΔΔG - kcal/mol)

R137A

−0.80

−1.07

−0.68

Q139A

−0.39

−0.24

−0.33

F134A,M136A

NA

NA

−7.3

R137A,T138A,Q139A

NA

NA

−1.02

  1. Prediction from mCSM (stability and affinity) and FoldX (stability) were calculated for the mutated complexes