| RUN | Atom map | Initial microstate | Final microstate | ΔΔGcalc / kcal M-1 | ΔΔGexp / kcal M-1 | |ΔΔG-ΔΔGexp| / kcal M-1 | Work distribution | Bootstrapping | Convergence | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN71 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-11_1 |
|
2.4 ± 0.2 | −0.86 ± 0.04 | 3.2 ± 0.2 |
|
|
|
|||
| RUN67 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-c7726e07-5_1 |
|
2.2 ± 0.2 | −0.86 ± 0.04 | 3.0 ± 0.2 |
|
|
|
|||
| RUN89 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-c7726e07-6_1 |
|
3.3 ± 0.2 | 2.31 ± 0.05 | 1.0 ± 0.2 |
|
|
|
|||
| RUN77 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-12_1 |
|
3.1 ± 0.2 | 2.31 ± 0.05 | 0.8 ± 0.2 |
|
|
|
|||
| RUN13 | VLA-UCB-50c39ae8-2_1 |
|
VLA-UCB-50c39ae8-2_1 |
|
0.001 ± 0.005 | 0.00 ± 0.05 | 0.00 ± 0.05 |
|
|
|
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