RUN | Atom map | Initial microstate | Final microstate | ΔΔGcalc / kcal M-1 | ΔΔGexp / kcal M-1 | |ΔΔG-ΔΔGexp| / kcal M-1 | Work distribution | Bootstrapping | Convergence | ||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RUN81 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-11_1 |
|
5.1 ± 0.3 | −0.86 ± 0.04 | 6.0 ± 0.3 |
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RUN77 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-c7726e07-5_1 |
|
4.8 ± 0.3 | −0.86 ± 0.04 | 5.7 ± 0.3 |
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RUN74 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-c7726e07-5_2 |
|
4.4 ± 0.2 | −0.86 ± 0.04 | 5.2 ± 0.2 |
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RUN84 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-11_2 |
|
4.3 ± 0.3 | −0.86 ± 0.04 | 5.2 ± 0.3 |
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RUN83 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-12_2 |
|
5.7 ± 0.2 | 2.31 ± 0.05 | 3.4 ± 0.2 |
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RUN82 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-c7726e07-6_2 |
|
5.3 ± 0.2 | 2.31 ± 0.05 | 3.0 ± 0.3 |
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RUN78 | VLA-UCB-50c39ae8-2_1 |
|
MAT-POS-c7726e07-6_1 |
|
4.4 ± 0.2 | 2.31 ± 0.05 | 2.1 ± 0.2 |
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RUN79 | VLA-UCB-50c39ae8-2_1 |
|
LUO-POS-868e8996-12_1 |
|
4.3 ± 0.3 | 2.31 ± 0.05 | 2.0 ± 0.3 |
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RUN18 | VLA-UCB-50c39ae8-2_1 |
|
VLA-UCB-50c39ae8-2_1 |
|
0.001 ± 0.003 | 0.00 ± 0.05 | 0.00 ± 0.05 |
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