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. 2020 May 20:1–10. doi: 10.1080/07391102.2020.1768150

Table 1.

Comparison of the cluster statistics of intact and truncated ACE2 docked with RBD through HADDOCK docking tool.

# Protein HADDOCK-score* Cluster size Docking RMSD Z-score** Vander Wall energy Electrostatic energy
1 ACE2 −111 23 0.7 −1.8 −59.9 −151.2
2 tACE2 −126.6 44 0.8 −2.1 −70.9 −185.2
*

The HADDOCK score is defined as: 1.0 Evdw + 0.2 Eelec + 1.0 Edesol + 0.1 EAIR.

**

The Z-score produced by HADDOCK indicates standard deviations from the average cluster (the more negative the better).