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Table 1 Effects of K27A and K30A mutants on interactive energies (Kcal/mol)

From: Differential molecular information of maurotoxin peptide recognizing IKCa and Kv1.2 channels explored by computational simulation

Energies MTX-IKCa MTX-Kv1.2
Mutants ΔE vdW ΔE ele ΔE inter ΔE vdW ΔE ele ΔE inter
WT -78.65 -118.21 -196.86 -74.06 -1577.51 -1651.57
MTX_K27A -74.31 -110.24 -184.55 -61.62 -1361.07 -1422.69
MTX_K30A -73.51 -73.07 -146.58 -57.01 -1354.70 -1411.71
  1. Interactive energies (kcal/mol) were calculated using the MM-GBSA program in Amber-8.