Table 2 Docking analysis of the wild-type and mutated ACE2 structure with the Spike monomer protein.

From: SARS-CoV-2 infection susceptibility influenced by ACE2 genetic polymorphisms: insights from Tehran Cardio-Metabolic Genetic Study

 

Haddock score

Clustered structures

Cluster size

z-score

Number of Hydrogen bonding

Spike-ACE2 (wild type)

− 136.0 ± 6.1

167

115

− 2.2

14

Spike-ACE2(LYZ26>ARG)

− 127.8 ± 2.8

153

95

− 1.8

11

Spike -ACE2(SER331>PHE)

− 122.5 ± 1.8

165

96

− 1.9

8

  1. The column of “Haddock score” in this table shows the score of the best-obtained complex, the column “Clustered structures” is the number of complexes that finally clustered by the haddock server (we set the initial docking number = 2000 and the number of structure for final analyses = 200) and Cluster size represents the population size of the cluster of the best-obtained complex and the final column is the z-score of this complex among this cluster.
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