Table 1.
# | 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).