| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN664 | MAT-POS-8a69d52e-7_1 |
|
EN300-68350_2_1 |
|
3.8 ± 0.4 |
|
|
||||
| RUN3640 | MAT-POS-8a69d52e-7_1 |
|
EN300-269419_2_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN6494 | MAT-POS-8a69d52e-7_1 |
|
EN300-250416_2_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN4188 | MAT-POS-8a69d52e-7_1 |
|
EN300-173536_2_2 |
|
3.9 ± 0.4 |
|
|
||||
| RUN3004 | MAT-POS-8a69d52e-7_1 |
|
EN300-57126_2_2 |
|
3.9 ± 0.4 |
|
|
||||
| RUN13341 | MAT-POS-8a69d52e-7_1 |
|
EN300-1293808_2_1 |
|
3.9 ± 0.4 |
|
|
||||
| RUN12083 | MAT-POS-8a69d52e-7_1 |
|
EN300-6739235_4_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN4216 | MAT-POS-8a69d52e-7_1 |
|
EN300-36065_2_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN1470 | MAT-POS-8a69d52e-7_1 |
|
EN300-7499295_2_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN13974 | MAT-POS-8a69d52e-7_1 |
|
EN300-159881_1_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN4828 | MAT-POS-8a69d52e-7_1 |
|
EN300-129424_2_2 |
|
3.9 ± 0.3 |
|
|
||||
| RUN5016 | MAT-POS-8a69d52e-7_1 |
|
EN300-624143_2_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN13935 | MAT-POS-8a69d52e-7_1 |
|
EN300-159881_2_2 |
|
3.9 ± 0.5 |
|
|
||||
| RUN8403 | MAT-POS-8a69d52e-7_1 |
|
EN300-207543_1_1 |
|
3.9 ± 0.4 |
|
|
||||
| RUN9299 | MAT-POS-8a69d52e-7_1 |
|
EN300-196870_2_2 |
|
3.9 ± 0.3 |
|
|
||||
| RUN10268 | MAT-POS-8a69d52e-7_1 |
|
EN300-702542_2_1 |
|
3.9 ± 0.3 |
|
|
||||
| RUN14973 | MAT-POS-8a69d52e-7_1 |
|
EN300-1719428_2_1 |
|
4.0 ± 0.2 |
|
|
||||
| RUN32 | MAT-POS-8a69d52e-7_1 |
|
JOH-UNI-f51e3bbc-3_2 |
|
4.0 ± 0.2 |
|
|
||||
| RUN13929 | MAT-POS-8a69d52e-7_1 |
|
EN300-1605566_4_1 |
|
4.0 ± 0.3 |
|
|
||||
| RUN672 | MAT-POS-8a69d52e-7_1 |
|
EN300-7435545_2_1 |
|
4.0 ± 0.3 |
|
|
||||
| RUN4956 | MAT-POS-8a69d52e-7_1 |
|
EN300-384557_2_2 |
|
4.0 ± 0.4 |
|
|
||||
| RUN5196 | MAT-POS-8a69d52e-7_1 |
|
EN300-117839_2_1 |
|
4.0 ± 0.3 |
|
|
||||
| RUN2348 | MAT-POS-8a69d52e-7_1 |
|
EN300-322603_2_1 |
|
4.0 ± 0.3 |
|
|
||||
| RUN12395 | MAT-POS-8a69d52e-7_1 |
|
EN300-7537340_2_1 |
|
4.0 ± 0.3 |
|
|
||||
| RUN11526 | MAT-POS-8a69d52e-7_1 |
|
EN300-341337_4_3 |
|
4.0 ± 0.2 |
|
|
||||
| RUN1590 | MAT-POS-8a69d52e-7_1 |
|
EN300-129384_2_2 |
|
4.0 ± 0.2 |
|
|
||||
| RUN10220 | MAT-POS-8a69d52e-7_1 |
|
EN300-39850_2_2 |
|
4.0 ± 0.5 |
|
|
||||
| RUN10324 | MAT-POS-8a69d52e-7_1 |
|
EN300-12626_2_2 |
|
4.0 ± 0.5 |
|
|
||||
| RUN6734 | MAT-POS-8a69d52e-7_1 |
|
EN300-20345_2_1 |
|
4.0 ± 0.3 |
|
|
||||
| RUN1686 | MAT-POS-8a69d52e-7_1 |
|
EN300-260696_2_7 |
|
4.0 ± 0.3 |
|
|
||||
| RUN13953 | MAT-POS-8a69d52e-7_1 |
|
EN300-130656_4_1 |
|
4.0 ± 0.3 |
|
|
||||
| RUN1526 | MAT-POS-8a69d52e-7_1 |
|
EN300-254105_2_4 |
|
4.0 ± 0.3 |
|
|
||||
| RUN4889 | MAT-POS-8a69d52e-7_1 |
|
EN300-398631_1_1 |
|
4.1 ± 0.6 |
|
|
||||
| RUN13019 | MAT-POS-8a69d52e-7_1 |
|
EN300-14437_4_1 |
|
4.1 ± 0.3 |
|
|
||||
| RUN11540 | MAT-POS-8a69d52e-7_1 |
|
EN300-3451857_4_2 |
|
4.1 ± 0.3 |
|
|
||||
| RUN13039 | MAT-POS-8a69d52e-7_1 |
|
EN300-7427197_2_1 |
|
4.1 ± 0.4 |
|
|
||||
| RUN5180 | MAT-POS-8a69d52e-7_1 |
|
EN300-1666341_2_2 |
|
4.1 ± 0.3 |
|
|
||||
| RUN13759 | MAT-POS-8a69d52e-7_1 |
|
EN300-60164_2_2 |
|
4.1 ± 0.4 |
|
|
||||
| RUN1046 | MAT-POS-8a69d52e-7_1 |
|
EN300-313360_2_2 |
|
4.1 ± 0.3 |
|
|
||||
| RUN3436 | MAT-POS-8a69d52e-7_1 |
|
EN300-227398_2_4 |
|
4.1 ± 0.4 |
|
|
||||
| RUN1702 | MAT-POS-8a69d52e-7_1 |
|
EN300-61371_2_2 |
|
4.2 ± 0.4 |
|
|
||||
| RUN14853 | MAT-POS-8a69d52e-7_1 |
|
EN300-1087187_2_4 |
|
4.2 ± 0.3 |
|
|
||||
| RUN9132 | MAT-POS-8a69d52e-7_1 |
|
EN300-245269_1_1 |
|
4.2 ± 0.6 |
|
|
||||
| RUN11336 | MAT-POS-8a69d52e-7_1 |
|
EN300-7427198_2_3 |
|
4.2 ± 0.3 |
|
|
||||
| RUN203 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-10_4 |
|
4.2 ± 0.2 |
|
|
||||
| RUN1670 | MAT-POS-8a69d52e-7_1 |
|
EN300-195072_2_2 |
|
4.2 ± 0.4 |
|
|
||||
| RUN12957 | MAT-POS-8a69d52e-7_1 |
|
EN300-233407_2_4 |
|
4.2 ± 0.4 |
|
|
||||
| RUN10277 | MAT-POS-8a69d52e-7_1 |
|
EN300-317867_3_2 |
|
4.2 ± 0.3 |
|
|
||||
| RUN14895 | MAT-POS-8a69d52e-7_1 |
|
EN300-6730277_2_1 |
|
4.2 ± 0.2 |
|
|
||||
| RUN28 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-8be7dca9-10_2 |
|
4.2 ± 0.2 |
|
|
||||
| RUN11564 | MAT-POS-8a69d52e-7_1 |
|
EN300-59757_2_2 |
|
4.3 ± 0.4 |
|
|
||||
| RUN3208 | MAT-POS-8a69d52e-7_1 |
|
EN300-208465_2_2 |
|
4.3 ± 0.4 |
|
|
||||
| RUN5448 | MAT-POS-8a69d52e-7_1 |
|
EN300-199149_2_1 |
|
4.3 ± 0.6 |
|
|
||||
| RUN1398 | MAT-POS-8a69d52e-7_1 |
|
EN300-238405_2_1 |
|
4.3 ± 0.3 |
|
|
||||
| RUN14967 | MAT-POS-8a69d52e-7_1 |
|
EN300-1268016_2_1 |
|
4.3 ± 0.3 |
|
|
||||
| RUN9099 | MAT-POS-8a69d52e-7_1 |
|
EN300-6491682_2_1 |
|
4.3 ± 0.3 |
|
|
||||
| RUN10218 | MAT-POS-8a69d52e-7_1 |
|
EN300-39850_2_2 |
|
4.3 ± 0.4 |
|
|
||||
| RUN8879 | MAT-POS-8a69d52e-7_1 |
|
EN300-226921_2_2 |
|
4.4 ± 0.3 |
|
|
||||
| RUN13281 | MAT-POS-8a69d52e-7_1 |
|
EN300-704039_2_1 |
|
4.4 ± 0.4 |
|
|
||||
| RUN3516 | MAT-POS-8a69d52e-7_1 |
|
EN300-7444335_2_1 |
|
4.4 ± 0.3 |
|
|
||||
| RUN13736 | MAT-POS-8a69d52e-7_1 |
|
EN300-207543_1_2 |
|
4.4 ± 0.4 |
|
|
||||
| RUN13943 | MAT-POS-8a69d52e-7_1 |
|
EN300-129820_2_1 |
|
4.4 ± 0.4 |
|
|
||||
| RUN320 | MAT-POS-8a69d52e-7_1 |
|
EN300-233786_2_1 |
|
4.4 ± 0.3 |
|
|
||||
| RUN14425 | MAT-POS-8a69d52e-7_1 |
|
EN300-6746622_2_1 |
|
4.5 ± 0.3 |
|
|
||||
| RUN1238 | MAT-POS-8a69d52e-7_1 |
|
EN300-190026_2_1 |
|
4.5 ± 0.3 |
|
|
||||
| RUN3176 | MAT-POS-8a69d52e-7_1 |
|
EN300-226921_2_4 |
|
4.5 ± 0.4 |
|
|
||||
| RUN10202 | MAT-POS-8a69d52e-7_1 |
|
EN300-39843_2_1 |
|
4.5 ± 0.4 |
|
|
||||
| RUN13128 | MAT-POS-8a69d52e-7_1 |
|
EN300-317867_3_1 |
|
4.5 ± 0.4 |
|
|
||||
| RUN209 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-83e0a0b4-2_2 |
|
4.5 ± 0.4 |
|
|
||||
| RUN15153 | MAT-POS-8a69d52e-7_1 |
|
EN300-75807_3_1 |
|
4.6 ± 0.2 |
|
|
||||
| RUN57 | MAT-POS-8a69d52e-7_1 |
|
JOH-UNI-f51e3bbc-1_1 |
|
4.6 ± 0.2 |
|
|
||||
| RUN10198 | MAT-POS-8a69d52e-7_1 |
|
EN300-71012_2_1 |
|
4.6 ± 0.4 |
|
|
||||
| RUN27 | MAT-POS-8a69d52e-7_1 |
|
MAK-UNK-83e0a0b4-3_2 |
|
4.7 ± 0.3 |
|
|
||||
| RUN216 | MAT-POS-8a69d52e-7_1 |
|
NAU-LAT-0543f7f2-10_2 |
|
4.7 ± 0.3 |
|
|
||||
| RUN7663 | MAT-POS-8a69d52e-7_1 |
|
EN300-256579_1_1 |
|
4.7 ± 0.6 |
|
|
||||
| RUN2960 | MAT-POS-8a69d52e-7_1 |
|
EN300-1268016_2_16 |
|
4.8 ± 0.3 |
|
|
||||
| RUN14125 | MAT-POS-8a69d52e-7_1 |
|
EN300-6472952_2_1 |
|
4.8 ± 0.3 |
|
|
||||
| RUN1941 | MAT-POS-8a69d52e-7_1 |
|
EN300-195790_2_1 |
|
4.8 ± 0.3 |
|
|
||||
| RUN13453 | MAT-POS-8a69d52e-7_1 |
|
EN300-233407_2_2 |
|
4.8 ± 0.5 |
|
|
||||
| RUN1390 | MAT-POS-8a69d52e-7_1 |
|
EN300-254105_2_3 |
|
4.8 ± 0.3 |
|
|
||||
| RUN7258 | MAT-POS-8a69d52e-7_1 |
|
EN300-6480251_2_1 |
|
4.9 ± 0.3 |
|
|
||||
| RUN5468 | MAT-POS-8a69d52e-7_1 |
|
EN300-71022_2_1 |
|
4.9 ± 0.5 |
|
|
||||
| RUN10913 | MAT-POS-8a69d52e-7_1 |
|
EN300-1072972_4_2 |
|
4.9 ± 0.3 |
|
|
||||
| RUN3861 | MAT-POS-8a69d52e-7_1 |
|
EN300-257393_1_1 |
|
5.0 ± 0.5 |
|
|
||||
| RUN656 | MAT-POS-8a69d52e-7_1 |
|
EN300-1091489_2_2 |
|
5.0 ± 0.3 |
|
|
||||
| RUN12340 | MAT-POS-8a69d52e-7_1 |
|
EN300-12626_1_2 |
|
5.0 ± 0.5 |
|
|
||||
| RUN14485 | MAT-POS-8a69d52e-7_1 |
|
EN300-116238_2_1 |
|
5.1 ± 0.2 |
|
|
||||
| RUN14333 | MAT-POS-8a69d52e-7_1 |
|
EN300-2009936_2_1 |
|
5.1 ± 0.4 |
|
|
||||
| RUN10292 | MAT-POS-8a69d52e-7_1 |
|
EN300-212797_2_1 |
|
5.1 ± 0.4 |
|
|
||||
| RUN5800 | MAT-POS-8a69d52e-7_1 |
|
EN300-226334_2_4 |
|
5.1 ± 0.3 |
|
|
||||
| RUN8971 | MAT-POS-8a69d52e-7_1 |
|
EN300-1587757_4_1 |
|
5.1 ± 0.2 |
|
|
||||
| RUN9972 | MAT-POS-8a69d52e-7_1 |
|
EN300-12626_2_1 |
|
5.2 ± 0.6 |
|
|
||||
| RUN14423 | MAT-POS-8a69d52e-7_1 |
|
EN300-73738_2_1 |
|
5.2 ± 0.3 |
|
|
||||
| RUN3728 | MAT-POS-8a69d52e-7_1 |
|
EN300-321951_2_1 |
|
5.2 ± 0.3 |
|
|
||||
| RUN8683 | MAT-POS-8a69d52e-7_1 |
|
EN300-7430165_2_1 |
|
5.2 ± 0.4 |
|
|
||||
| RUN9055 | MAT-POS-8a69d52e-7_1 |
|
EN300-321951_2_2 |
|
5.3 ± 0.4 |
|
|
||||
| RUN6275 | MAT-POS-8a69d52e-7_1 |
|
EN300-227398_2_1 |
|
5.3 ± 0.4 |
|
|
||||
| RUN6000 | MAT-POS-8a69d52e-7_1 |
|
EN300-39850_2_1 |
|
5.4 ± 0.5 |
|
|
||||
| RUN15016 | MAT-POS-8a69d52e-7_1 |
|
EN300-42819_3_2 |
|
5.4 ± 0.3 |
|
|
||||
| RUN1214 | MAT-POS-8a69d52e-7_1 |
|
EN300-191187_2_1 |
|
5.4 ± 0.3 |
|
|
||||