| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN457 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-7_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN490 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-32_1_2 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2354 | MIC-UNK-91acba05-6_1 |
|
amination-0001488_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN847 | MIC-UNK-91acba05-6_1 |
|
amination-0000135_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1468 | MIC-UNK-91acba05-6_1 |
|
amination-0000688_1_1 |
|
−1.3 ± 0.1 |
|
|
||||
| RUN1083 | MIC-UNK-91acba05-6_1 |
|
amination-0000373_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN26 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-e4b030d8-6_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN649 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-dc2604c4-4_1_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN2328 | MIC-UNK-91acba05-6_1 |
|
amination-0001454_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2533 | MIC-UNK-91acba05-6_1 |
|
amination-0001654_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1228 | MIC-UNK-91acba05-6_1 |
|
amination-0000447_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2396 | MIC-UNK-91acba05-6_1 |
|
amination-0001511_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN1143 | MIC-UNK-91acba05-6_1 |
|
amination-0000363_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN418 | MIC-UNK-91acba05-6_1 |
|
RYA-UNI-6d7114fd-1_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN2494 | MIC-UNK-91acba05-6_1 |
|
amination-0001619_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN3003 | MIC-UNK-91acba05-6_1 |
|
amination-0002001_1_1 |
|
−1.3 ± 0.1 |
|
|
||||
| RUN2203 | MIC-UNK-91acba05-6_1 |
|
amination-0001364_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN2257 | MIC-UNK-91acba05-6_1 |
|
amination-0001380_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN341 | MIC-UNK-91acba05-6_1 |
|
ALP-UNI-c3ef0aba-2_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2595 | MIC-UNK-91acba05-6_1 |
|
amination-0001703_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1207 | MIC-UNK-91acba05-6_1 |
|
amination-0000463_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN977 | MIC-UNK-91acba05-6_1 |
|
amination-0000288_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1711 | MIC-UNK-91acba05-6_1 |
|
amination-0000874_1_1 |
|
−1.2 ± 0.5 |
|
|
||||
| RUN113 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-4_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN540 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-36_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN389 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0587064e-27_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN83 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-23e5a6a0-2_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN21 | MIC-UNK-91acba05-6_1 |
|
MAK-UNK-8be7dca9-9_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN2096 | MIC-UNK-91acba05-6_1 |
|
amination-0001257_1_1 |
|
−1.2 ± 0.5 |
|
|
||||
| RUN1085 | MIC-UNK-91acba05-6_1 |
|
amination-0000338_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN1090 | MIC-UNK-91acba05-6_1 |
|
amination-0000399_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN2922 | MIC-UNK-91acba05-6_1 |
|
amination-0001915_1_1 |
|
−1.2 ± 0.1 |
|
|
||||
| RUN2232 | MIC-UNK-91acba05-6_1 |
|
amination-0001387_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN1159 | MIC-UNK-91acba05-6_1 |
|
amination-0000404_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN593 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-0047eae5-1_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN1498 | MIC-UNK-91acba05-6_1 |
|
amination-0000714_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN1042 | MIC-UNK-91acba05-6_1 |
|
amination-0000307_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN584 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-9b23ef84-11_1_2 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN2950 | MIC-UNK-91acba05-6_1 |
|
amination-0001948_1_1 |
|
−1.2 ± 0.1 |
|
|
||||
| RUN2542 | MIC-UNK-91acba05-6_1 |
|
amination-0001652_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN531 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-20_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN1342 | MIC-UNK-91acba05-6_1 |
|
amination-0000583_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN2198 | MIC-UNK-91acba05-6_1 |
|
amination-0001297_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN2517 | MIC-UNK-91acba05-6_1 |
|
amination-0001645_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN604 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-fa7708b3-3_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN1064 | MIC-UNK-91acba05-6_1 |
|
amination-0000326_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN347 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-dd3ad2b5-2_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN1209 | MIC-UNK-91acba05-6_1 |
|
amination-0000475_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN1344 | MIC-UNK-91acba05-6_1 |
|
amination-0000592_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN2439 | MIC-UNK-91acba05-6_1 |
|
amination-0001570_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN366 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-ba7e64f2-2_1_1 |
|
−1.2 ± 0.5 |
|
|
||||
| RUN472 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-009f762b-3_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN876 | MIC-UNK-91acba05-6_1 |
|
amination-0000211_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN905 | MIC-UNK-91acba05-6_1 |
|
amination-0000235_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN2375 | MIC-UNK-91acba05-6_1 |
|
amination-0001502_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN629 | MIC-UNK-91acba05-6_1 |
|
amination-0000003_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN1357 | MIC-UNK-91acba05-6_1 |
|
amination-0000588_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN73 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0d514e7d-9_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN1011 | MIC-UNK-91acba05-6_1 |
|
amination-0000297_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN2986 | MIC-UNK-91acba05-6_1 |
|
amination-0001985_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN536 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-39_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN2725 | MIC-UNK-91acba05-6_1 |
|
amination-0001798_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN1284 | MIC-UNK-91acba05-6_1 |
|
amination-0000529_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN2195 | MIC-UNK-91acba05-6_1 |
|
amination-0001330_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN2479 | MIC-UNK-91acba05-6_1 |
|
amination-0001603_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN2072 | MIC-UNK-91acba05-6_1 |
|
amination-0001248_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN380 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0587064e-24_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN125 | MIC-UNK-91acba05-6_1 |
|
BEN-BAS-5c03e89e-1_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN782 | MIC-UNK-91acba05-6_1 |
|
amination-0000117_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN141 | MIC-UNK-91acba05-6_1 |
|
EDJ-MED-eff36d94-1_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN772 | MIC-UNK-91acba05-6_1 |
|
amination-0000114_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN173 | MIC-UNK-91acba05-6_1 |
|
ALP-POS-696356e4-1_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN284 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-9e4459de-13_1_1 |
|
−1.2 ± 0.2 |
|
|
||||
| RUN1313 | MIC-UNK-91acba05-6_1 |
|
amination-0000549_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN2472 | MIC-UNK-91acba05-6_1 |
|
amination-0001608_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN602 | MIC-UNK-91acba05-6_1 |
|
ALF-EVA-82cf4849-7_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN487 | MIC-UNK-91acba05-6_1 |
|
VLA-UNK-5b0345c3-1_1_1 |
|
−1.2 ± 0.3 |
|
|
||||
| RUN501 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-18_1_1 |
|
−1.2 ± 0.5 |
|
|
||||
| RUN2514 | MIC-UNK-91acba05-6_1 |
|
amination-0001636_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN413 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-6314f867-1_1_1 |
|
−1.2 ± 0.4 |
|
|
||||
| RUN830 | MIC-UNK-91acba05-6_1 |
|
amination-0000150_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1496 | MIC-UNK-91acba05-6_1 |
|
amination-0000716_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN374 | MIC-UNK-91acba05-6_1 |
|
BEN-DND-34fc7f90-8_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN505 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-4223bc15-33_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2487 | MIC-UNK-91acba05-6_1 |
|
amination-0001596_1_1 |
|
−1.1 ± 0.6 |
|
|
||||
| RUN2679 | MIC-UNK-91acba05-6_1 |
|
amination-0001760_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN567 | MIC-UNK-91acba05-6_1 |
|
PET-UNK-9b23ef84-6_1_2 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN270 | MIC-UNK-91acba05-6_1 |
|
LAU-MED-88a3970a-17_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN453 | MIC-UNK-91acba05-6_1 |
|
VLA-UNK-5b0345c3-4_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN603 | MIC-UNK-91acba05-6_1 |
|
RAL-THA-b9d6aec1-1_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN134 | MIC-UNK-91acba05-6_1 |
|
BEN-BAS-5c03e89e-1_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN2612 | MIC-UNK-91acba05-6_1 |
|
amination-0001686_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN376 | MIC-UNK-91acba05-6_1 |
|
DAR-DIA-0f2f46c9-9_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1165 | MIC-UNK-91acba05-6_1 |
|
amination-0000416_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1093 | MIC-UNK-91acba05-6_1 |
|
amination-0000337_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1698 | MIC-UNK-91acba05-6_1 |
|
amination-0000876_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1503 | MIC-UNK-91acba05-6_1 |
|
amination-0000733_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN1009 | MIC-UNK-91acba05-6_1 |
|
amination-0000288_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN596 | MIC-UNK-91acba05-6_1 |
|
MAT-POS-61f37a1a-12_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN2709 | MIC-UNK-91acba05-6_1 |
|
amination-0001787_1_1 |
|
−1.1 ± 0.1 |
|
|
||||