Table 1.
The top 10 models from evaluations of full-length SARS-CoV2 S protein with human ACE2. The total_score presented the quality of each complex. I_sc present the interface quality in each complex while pep_sc present the ACE2 quality of each complex.
| Number | Total_score | I_sc | pep_sc | Description |
|---|---|---|---|---|
| 1 | −1880.688 | −22.979 | −963.38 | 2019nCoV_ACE2_Model_2_0024 |
| 2 | −1868.721 | −19.983 | −993.26 | 2019nCoV_ACE2_Model_2_0002 |
| 3 | −1861.189 | −16.55 | −944.202 | 2019nCoV_ACE2_Model_2_0027 |
| 4 | −1826.062 | −14.535 | −955.218 | 2019nCoV_ACE2_Model_2_0012 |
| 5 | −1825.966 | −38.261 | −945.635 | 2019nCoV_ACE2_Model_2_0005 |
| 6 | −1818.623 | −13.703 | −937.926 | 2019nCoV_ACE2_Model_2_0011 |
| 7 | −1813.706 | −28.912 | −930.05 | 2019nCoV_ACE2_Model_2_0010 |
| 8 | −1807.027 | −23.033 | −949.358 | 2019nCoV_ACE2_Model_2_0016 |
| 9 | −1805.228 | −16.303 | −946.937 | 2019nCoV_ACE2_Model_2_0009 |
| 10 | −1792.69 | −24.743 | −921.192 | 2019nCoV_ACE2_Model_2_0028 |