RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
---|---|---|---|---|---|---|---|---|---|---|---|
RUN615 | MIC-UNK-91acba05-6_1 |
|
amination-0000005_1_1 |
|
−1.8 ± 0.3 |
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RUN2326 | MIC-UNK-91acba05-6_1 |
|
amination-0001482_1_1 |
|
−1.8 ± 0.4 |
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RUN2467 | MIC-UNK-91acba05-6_1 |
|
amination-0001588_1_1 |
|
−1.8 ± 0.4 |
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RUN1111 | MIC-UNK-91acba05-6_1 |
|
amination-0000399_1_1 |
|
−1.8 ± 0.2 |
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RUN582 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-139368ae-1_1_1 |
|
−1.8 ± 0.3 |
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RUN2193 | MIC-UNK-91acba05-6_1 |
|
amination-0001325_1_1 |
|
−1.8 ± 0.3 |
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RUN707 | MIC-UNK-91acba05-6_1 |
|
amination-0000064_1_1 |
|
−1.8 ± 0.3 |
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RUN2367 | MIC-UNK-91acba05-6_1 |
|
amination-0001475_1_1 |
|
−1.8 ± 0.4 |
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RUN2566 | MIC-UNK-91acba05-6_1 |
|
amination-0001651_1_1 |
|
−1.8 ± 0.6 |
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||||
RUN2409 | MIC-UNK-91acba05-6_1 |
|
amination-0001507_1_1 |
|
−1.8 ± 0.4 |
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||||
RUN330 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-fe871b40-2_1_1 |
|
−1.8 ± 0.5 |
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RUN595 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-2c6614b6-5_1_1 |
|
−1.8 ± 0.3 |
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RUN2237 | MIC-UNK-91acba05-6_1 |
|
amination-0001365_1_1 |
|
−1.8 ± 0.2 |
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RUN2279 | MIC-UNK-91acba05-6_1 |
|
amination-0001418_1_1 |
|
−1.8 ± 0.4 |
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||||
RUN100 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-17_1_1 |
|
−1.8 ± 0.1 |
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RUN250 | MIC-UNK-91acba05-6_1 |
|
MAK-UNK-83e0a0b4-1_1_1 |
|
−1.8 ± 0.2 |
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RUN2534 | MIC-UNK-91acba05-6_1 |
|
amination-0001634_1_1 |
|
−1.8 ± 0.4 |
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||||
RUN579 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-b7309adf-2_1_1 |
|
−1.8 ± 0.4 |
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RUN2074 | MIC-UNK-91acba05-6_1 |
|
amination-0001225_1_1 |
|
−1.8 ± 0.4 |
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RUN2601 | MIC-UNK-91acba05-6_1 |
|
amination-0001707_1_1 |
|
−1.8 ± 0.4 |
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RUN1026 | MIC-UNK-91acba05-6_1 |
|
amination-0000300_1_1 |
|
−1.8 ± 0.3 |
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RUN106 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-6_1_1 |
|
−1.8 ± 0.2 |
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RUN2334 | MIC-UNK-91acba05-6_1 |
|
amination-0001472_1_1 |
|
−1.8 ± 0.5 |
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RUN1084 | MIC-UNK-91acba05-6_1 |
|
amination-0000370_1_1 |
|
−1.8 ± 0.3 |
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RUN974 | MIC-UNK-91acba05-6_1 |
|
amination-0000281_1_1 |
|
−1.8 ± 0.2 |
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||||
RUN1425 | MIC-UNK-91acba05-6_1 |
|
amination-0000664_1_1 |
|
−1.8 ± 0.2 |
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RUN333 | MIC-UNK-91acba05-6_1 |
|
VLA-UNK-4b5c0188-1_1_1 |
|
−1.8 ± 0.5 |
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RUN1291 | MIC-UNK-91acba05-6_1 |
|
amination-0000560_1_1 |
|
−1.8 ± 0.3 |
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RUN2422 | MIC-UNK-91acba05-6_1 |
|
amination-0001546_1_1 |
|
−1.8 ± 0.4 |
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RUN1041 | MIC-UNK-91acba05-6_1 |
|
amination-0000299_1_1 |
|
−1.8 ± 0.3 |
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RUN1668 | MIC-UNK-91acba05-6_1 |
|
amination-0000897_1_1 |
|
−1.8 ± 0.3 |
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RUN2764 | MIC-UNK-91acba05-6_1 |
|
amination-0001842_1_1 |
|
−1.8 ± 0.2 |
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RUN1632 | MIC-UNK-91acba05-6_1 |
|
amination-0000841_1_1 |
|
−1.8 ± 0.2 |
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RUN708 | MIC-UNK-91acba05-6_1 |
|
amination-0000048_1_1 |
|
−1.8 ± 0.2 |
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RUN2605 | MIC-UNK-91acba05-6_1 |
|
amination-0001701_1_1 |
|
−1.8 ± 0.4 |
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RUN804 | MIC-UNK-91acba05-6_1 |
|
amination-0000125_1_1 |
|
−1.8 ± 0.1 |
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RUN1587 | MIC-UNK-91acba05-6_1 |
|
amination-0000831_1_1 |
|
−1.8 ± 0.5 |
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RUN3074 | MIC-UNK-91acba05-6_1 |
|
amination-0002076_1_1 |
|
−1.8 ± 0.2 |
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RUN1421 | MIC-UNK-91acba05-6_1 |
|
amination-0000629_1_1 |
|
−1.8 ± 0.2 |
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RUN681 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-c82a5324-1_1_1 |
|
−1.8 ± 0.2 |
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RUN2916 | MIC-UNK-91acba05-6_1 |
|
amination-0001955_1_1 |
|
−1.75 ± 0.08 |
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RUN2371 | MIC-UNK-91acba05-6_1 |
|
amination-0001481_1_1 |
|
−1.7 ± 0.3 |
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RUN1406 | MIC-UNK-91acba05-6_1 |
|
amination-0000606_1_1 |
|
−1.7 ± 0.2 |
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RUN684 | MIC-UNK-91acba05-6_1 |
|
amination-0000050_1_1 |
|
−1.7 ± 0.2 |
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RUN3037 | MIC-UNK-91acba05-6_1 |
|
amination-0002022_1_1 |
|
−1.7 ± 0.2 |
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RUN46 | MIC-UNK-91acba05-6_1 |
|
MIC-UNK-91acba05-5_1_1 |
|
−1.7 ± 0.2 |
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RUN771 | MIC-UNK-91acba05-6_1 |
|
amination-0000094_1_1 |
|
−1.7 ± 0.3 |
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RUN434 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-6e4c80cf-1_1_1 |
|
−1.7 ± 0.2 |
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RUN835 | MIC-UNK-91acba05-6_1 |
|
amination-0000185_1_1 |
|
−1.7 ± 0.2 |
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RUN675 | MIC-UNK-91acba05-6_1 |
|
amination-0000002_1_1 |
|
−1.7 ± 0.2 |
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RUN2092 | MIC-UNK-91acba05-6_1 |
|
amination-0001241_1_1 |
|
−1.7 ± 0.5 |
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RUN957 | MIC-UNK-91acba05-6_1 |
|
amination-0000254_1_1 |
|
−1.7 ± 0.4 |
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RUN1098 | MIC-UNK-91acba05-6_1 |
|
amination-0000394_1_1 |
|
−1.7 ± 0.2 |
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RUN2469 | MIC-UNK-91acba05-6_1 |
|
amination-0001582_1_1 |
|
−1.7 ± 0.4 |
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RUN1452 | MIC-UNK-91acba05-6_1 |
|
amination-0000700_1_1 |
|
−1.7 ± 0.4 |
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RUN2614 | MIC-UNK-91acba05-6_1 |
|
amination-0001713_1_1 |
|
−1.7 ± 0.3 |
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RUN525 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-41_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN613 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-d61f3ea6-3_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN404 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-6d96567b-2_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN573 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-1b5395f9-2_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN1543 | MIC-UNK-91acba05-6_1 |
|
amination-0000741_1_1 |
|
−1.7 ± 0.3 |
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RUN919 | MIC-UNK-91acba05-6_1 |
|
amination-0000215_1_1 |
|
−1.7 ± 0.3 |
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RUN2329 | MIC-UNK-91acba05-6_1 |
|
amination-0001450_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN2615 | MIC-UNK-91acba05-6_1 |
|
amination-0001714_1_1 |
|
−1.7 ± 0.4 |
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RUN1185 | MIC-UNK-91acba05-6_1 |
|
amination-0000452_1_1 |
|
−1.7 ± 0.4 |
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RUN2529 | MIC-UNK-91acba05-6_1 |
|
amination-0001623_1_1 |
|
−1.7 ± 0.4 |
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RUN779 | MIC-UNK-91acba05-6_1 |
|
amination-0000127_1_1 |
|
−1.7 ± 0.2 |
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||||
RUN2098 | MIC-UNK-91acba05-6_1 |
|
amination-0001240_1_1 |
|
−1.7 ± 0.4 |
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RUN731 | MIC-UNK-91acba05-6_1 |
|
amination-0000082_1_1 |
|
−1.7 ± 0.2 |
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||||
RUN2154 | MIC-UNK-91acba05-6_1 |
|
amination-0001317_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN799 | MIC-UNK-91acba05-6_1 |
|
amination-0000137_1_1 |
|
−1.7 ± 0.2 |
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||||
RUN1316 | MIC-UNK-91acba05-6_1 |
|
amination-0000576_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN147 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-c852c98b-4_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN167 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-5ff57136-14_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN2657 | MIC-UNK-91acba05-6_1 |
|
amination-0001731_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN285 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-fe871b40-1_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN360 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-3ccb8ef6-1_1_1 |
|
−1.7 ± 0.6 |
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||||
RUN35 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-c9f97604-1_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN2640 | MIC-UNK-91acba05-6_1 |
|
amination-0001730_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN2111 | MIC-UNK-91acba05-6_1 |
|
amination-0001261_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN189 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-8416115c-1_1_2 |
|
−1.7 ± 0.2 |
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||||
RUN2681 | MIC-UNK-91acba05-6_1 |
|
amination-0001741_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN2231 | MIC-UNK-91acba05-6_1 |
|
amination-0001369_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN2271 | MIC-UNK-91acba05-6_1 |
|
amination-0001433_1_1 |
|
−1.7 ± 0.5 |
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||||
RUN981 | MIC-UNK-91acba05-6_1 |
|
amination-0000276_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN875 | MIC-UNK-91acba05-6_1 |
|
amination-0000189_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN2274 | MIC-UNK-91acba05-6_1 |
|
amination-0001401_1_1 |
|
−1.7 ± 0.5 |
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||||
RUN117 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-19_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN1177 | MIC-UNK-91acba05-6_1 |
|
amination-0000422_1_1 |
|
−1.7 ± 0.3 |
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||||
RUN742 | MIC-UNK-91acba05-6_1 |
|
amination-0000042_1_1 |
|
−1.7 ± 0.4 |
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||||
RUN47 | MIC-UNK-91acba05-6_1 |
|
ADA-UCB-dc2b944c-10_1_1 |
|
−1.7 ± 0.2 |
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||||
RUN2177 | MIC-UNK-91acba05-6_1 |
|
amination-0001361_1_1 |
|
−1.7 ± 0.4 |
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