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. 2022 Nov 28;22:36. doi: 10.1186/s12896-022-00768-0

Table 3.

Docking results of two target proteins (purified protease and actin)

Protein1 Protein2 Binding energy (kcal/mol) Contact sites (protein1) Contact sites (protein2) Combination type
Purified protease Actin −259.99

Asp308

Tyr310

Glu327

Arg326

Ser114

Glu204

Ser214

Arg290

Asp286

Tyr166

Glu167

Lys68

Lys113

Glu117

Salt bridge

Hydrogen bond

Hydrophobic interaction