Table 2. Results of emplace_local searches for megabody in complex with GABA receptor.
Megabody copy | Sphere shift† (Å) | Rotation eLLG‡ | Top rotation LLG§ | Correct rotation LLG¶ | Correct RFZ†† | Final LLG | Run time (s) |
---|---|---|---|---|---|---|---|
1 | 0 | 54.7 | −13.4 (4) | −13.4 (1) | 5.63 | 805 | 58.4 |
2 | 0 | 55.5 | −15.3 (11) | −15.3 (1) | 5.24 | 536 | 54.7 |
3 | 0 | 54.6 | −11.9 (3) | −11.9 (1) | 5.90 | 540 | 56.6 |
4 | 0 | 54.8 | −12.6 (6) | −12.6 (1) | 5.62 | 523 | 56.3 |
5 | 0 | 54.5 | −12.1 (5) | −12.1 (1) | 5.80 | 533 | 55.9 |
1 | −9 | 68.1 | −38.6 (55) | — (—) | — | 14 | 182.8 |
1 | −6 | 64.7 | −32.4 (37) | −38.3 (16) | 3.57 | 548 | 99.5 |
1 | −3 | 60.7 | −27.4 (33) | −27.4 (1) | 4.52 | 547 | 57.9 |
1 | +3 | 51.5 | 5.8 (1) | 5.8 (1) | 7.57 | 505 | 56.3 |
1 | +6 | 51.3 | 18.6 (1) | 18.6 (1) | 8.81 | 505 | 55.4 |
1 | +9 | 53.6 | 31.7 (1) | 31.7 (1) | 9.89 | 505 | 54.7 |
Shift of the search sphere relative to the fivefold rotation axis.
Expected log-likelihood-gain (eLLG) score for the rotation search (Read et al., 2023 ▸).
Top log-likelihood-gain score from the rotation search (number of accepted orientations in parentheses).
Log-likelihood-gain score for correct orientation (position in search list in parentheses).
Rotation-function Z-score for the correct orientation.