| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | ΔΔGexp / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN22 | MAT-POS-b3e365b9-1 |
|
EDJ-MED-e4b030d8-3 |
|
−0.85 ± 0.09 | −2.96 ± 0.06 |
|
|
||||
| RUN12 | MAT-POS-b3e365b9-1 |
|
EDJ-MED-e4b030d8-11 |
|
−0.81 ± 0.06 | −0.11 ± 0.06 |
|
|
||||
| RUN96 | MAT-POS-b3e365b9-1 |
|
ALP-POS-477dc5b7-3 |
|
−0.8 ± 0.2 | −3.79 ± 0.06 |
|
|
||||
| RUN8 | MAT-POS-b3e365b9-1 |
|
EDJ-MED-e4b030d8-13 |
|
−0.68 ± 0.09 | −0.42 ± 0.06 |
|
|
||||
| RUN36 | MAT-POS-b3e365b9-1 |
|
EDJ-MED-e4b030d8-2 |
|
−0.15 ± 0.04 | −0.29 ± 0.06 |
|
|
||||
| RUN15 | MAT-POS-b3e365b9-1 |
|
VLA-UCB-1dbca3b4-15 |
|
0.01 ± 0.02 | −0.97 ± 0.06 |
|
|
||||
| RUN39 | MAT-POS-b3e365b9-1 |
|
MAT-POS-11b63608-1 |
|
0.02 ± 0.05 | −1.49 ± 0.06 |
|
|
||||
| RUN16 | MAT-POS-b3e365b9-1 |
|
MAT-POS-b3e365b9-1 |
|
0.02 ± 0.02 | 0.00 ± 0.06 |
|
|
||||
| RUN44 | MAT-POS-b3e365b9-1 |
|
EDJ-MED-e4b030d8-8 |
|
0.03 ± 0.08 | −1.94 ± 0.06 |
|
|
||||