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Some docking energy terms for native and mutant Spikes-ACE2 complexes (all energy terms are in REU).
| Complex | fa_atr | fa_rep | fa_sol | fa_intra_rep | lk_ball_wtd | fa_elec | omega | fa_dun | Total |
|---|---|---|---|---|---|---|---|---|---|
| Native | −4736.7 | 577.8 | 2899.03 | 8.8 | −140.15 | −1249.3 | 93.2 | 994 | −1907.06 |
| Mutant | −4712.8 | 548.2 | 2888.91 | 8.7 | −141.09 | −1235.9 | 92.4 | 996 | −1936.3 |
