| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN157 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-8416115c-1_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN528 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-d1eb1f41-10_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2099 | MIC-UNK-91acba05-6_1 |
|
amination-0001278_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN426 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-670ad2ee-6_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN2789 | MIC-UNK-91acba05-6_1 |
|
amination-0001843_1_1 |
|
−1.10 ± 0.09 |
|
|
||||
| RUN1479 | MIC-UNK-91acba05-6_1 |
|
amination-0000718_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1104 | MIC-UNK-91acba05-6_1 |
|
amination-0000390_1_1 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN2443 | MIC-UNK-91acba05-6_1 |
|
amination-0001583_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN1191 | MIC-UNK-91acba05-6_1 |
|
amination-0000442_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2261 | MIC-UNK-91acba05-6_1 |
|
amination-0001368_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3040 | MIC-UNK-91acba05-6_1 |
|
amination-0002025_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN342 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-611d11e7-5_1_1 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN2406 | MIC-UNK-91acba05-6_1 |
|
amination-0001549_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN287 | MIC-UNK-91acba05-6_1 |
|
VLA-UNK-9a7dc93f-4_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN367 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-611d11e7-2_1_1 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN1265 | MIC-UNK-91acba05-6_1 |
|
amination-0000508_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN464 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-26_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN605 | MIC-UNK-91acba05-6_1 |
|
ALF-EVA-82cf4849-1_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1116 | MIC-UNK-91acba05-6_1 |
|
amination-0000382_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1665 | MIC-UNK-91acba05-6_1 |
|
amination-0000892_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2270 | MIC-UNK-91acba05-6_1 |
|
amination-0001434_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN2844 | MIC-UNK-91acba05-6_1 |
|
amination-0001883_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN145 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-c852c98b-5_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN738 | MIC-UNK-91acba05-6_1 |
|
amination-0000057_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN226 | MIC-UNK-91acba05-6_1 |
|
ALP-UNI-3735e77e-2_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2625 | MIC-UNK-91acba05-6_1 |
|
amination-0001732_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2362 | MIC-UNK-91acba05-6_1 |
|
amination-0001496_1_1 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN713 | MIC-UNK-91acba05-6_1 |
|
amination-0000035_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1324 | MIC-UNK-91acba05-6_1 |
|
amination-0000558_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN576 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-9b23ef84-15_1_2 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1268 | MIC-UNK-91acba05-6_1 |
|
amination-0000501_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2288 | MIC-UNK-91acba05-6_1 |
|
amination-0001427_1_1 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN122 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-15_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN417 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-5369c344-5_1_1 |
|
−1.1 ± 0.5 |
|
|
||||
| RUN3027 | MIC-UNK-91acba05-6_1 |
|
amination-0002034_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2239 | MIC-UNK-91acba05-6_1 |
|
amination-0001379_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1799 | MIC-UNK-91acba05-6_1 |
|
amination-0000995_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN1088 | MIC-UNK-91acba05-6_1 |
|
amination-0000365_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2148 | MIC-UNK-91acba05-6_1 |
|
amination-0001287_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN1450 | MIC-UNK-91acba05-6_1 |
|
amination-0000669_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1210 | MIC-UNK-91acba05-6_1 |
|
amination-0000461_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2383 | MIC-UNK-91acba05-6_1 |
|
amination-0001528_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN858 | MIC-UNK-91acba05-6_1 |
|
amination-0000197_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1335 | MIC-UNK-91acba05-6_1 |
|
amination-0000572_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN521 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-13_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN1389 | MIC-UNK-91acba05-6_1 |
|
amination-0000630_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1121 | MIC-UNK-91acba05-6_1 |
|
amination-0000398_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN51 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-6a508060-5_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN211 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-ce760d3f-7_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN340 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0f2f46c9-1_1_1 |
|
−1.0 ± 0.5 |
|
|
||||
| RUN345 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-dd3ad2b5-1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN2273 | MIC-UNK-91acba05-6_1 |
|
amination-0001443_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN110 | MIC-UNK-91acba05-6_1 |
|
JOH-SUS-a69c159d-2_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2464 | MIC-UNK-91acba05-6_1 |
|
amination-0001595_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN943 | MIC-UNK-91acba05-6_1 |
|
amination-0000248_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1253 | MIC-UNK-91acba05-6_1 |
|
amination-0000509_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN1519 | MIC-UNK-91acba05-6_1 |
|
amination-0000713_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2202 | MIC-UNK-91acba05-6_1 |
|
amination-0001326_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN3071 | MIC-UNK-91acba05-6_1 |
|
amination-0002068_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2449 | MIC-UNK-91acba05-6_1 |
|
amination-0001579_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN2230 | MIC-UNK-91acba05-6_1 |
|
amination-0001385_1_1 |
|
−1.0 ± 0.5 |
|
|
||||
| RUN2741 | MIC-UNK-91acba05-6_1 |
|
amination-0001811_1_1 |
|
−1.0 ± 0.1 |
|
|
||||
| RUN2490 | MIC-UNK-91acba05-6_1 |
|
amination-0001590_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN959 | MIC-UNK-91acba05-6_1 |
|
amination-0000267_1_1 |
|
−0.99 ± 0.08 |
|
|
||||
| RUN556 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-24_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1540 | MIC-UNK-91acba05-6_1 |
|
amination-0000778_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1173 | MIC-UNK-91acba05-6_1 |
|
amination-0000439_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN614 | MIC-UNK-91acba05-6_1 |
|
JAG-UCB-571deb56-3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN96 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-23e5a6a0-1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN2716 | MIC-UNK-91acba05-6_1 |
|
amination-0001819_1_1 |
|
−1.0 ± 0.1 |
|
|
||||
| RUN880 | MIC-UNK-91acba05-6_1 |
|
amination-0000206_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1212 | MIC-UNK-91acba05-6_1 |
|
amination-0000456_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN995 | MIC-UNK-91acba05-6_1 |
|
amination-0000284_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1688 | MIC-UNK-91acba05-6_1 |
|
amination-0000905_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN651 | MIC-UNK-91acba05-6_1 |
|
amination-0000017_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1515 | MIC-UNK-91acba05-6_1 |
|
amination-0000757_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN297 | MIC-UNK-91acba05-6_1 |
|
WIL-UCB-7ba4ac3a-2_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2633 | MIC-UNK-91acba05-6_1 |
|
amination-0001734_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN144 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-22_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3086 | MIC-UNK-91acba05-6_1 |
|
amination-0002060_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN474 | MIC-UNK-91acba05-6_1 |
|
KAD-UNI-877d7bed-8_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1109 | MIC-UNK-91acba05-6_1 |
|
amination-0000377_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN2445 | MIC-UNK-91acba05-6_1 |
|
amination-0001560_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN2596 | MIC-UNK-91acba05-6_1 |
|
amination-0001712_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN415 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0587064e-25_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN88 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-33_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1100 | MIC-UNK-91acba05-6_1 |
|
amination-0000348_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN2545 | MIC-UNK-91acba05-6_1 |
|
amination-0001644_1_1 |
|
−0.9 ± 0.5 |
|
|
||||
| RUN2258 | MIC-UNK-91acba05-6_1 |
|
amination-0001412_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN129 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-c852c98b-1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN324 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-9e4459de-11_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN3049 | MIC-UNK-91acba05-6_1 |
|
amination-0002029_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN2508 | MIC-UNK-91acba05-6_1 |
|
amination-0001607_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN1598 | MIC-UNK-91acba05-6_1 |
|
amination-0000783_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN2238 | MIC-UNK-91acba05-6_1 |
|
amination-0001386_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN3058 | MIC-UNK-91acba05-6_1 |
|
amination-0002041_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN2941 | MIC-UNK-91acba05-6_1 |
|
amination-0001972_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN1289 | MIC-UNK-91acba05-6_1 |
|
amination-0000537_1_1 |
|
−0.9 ± 0.5 |
|
|
||||