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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.