| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2615 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-11_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN241 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-3_1 |
|
−0.34 ± 0.09 |
|
|
||||
| RUN2038 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-de59a476-2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2682 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-11_3 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1121 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-c11c1343-1_2 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN5963 | MAT-POS-b3e365b9-1_1 |
|
EN300-381149_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN199 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-9582b2c5-1_4 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7265 | MAT-POS-b3e365b9-1_1 |
|
EN300-49064_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN557 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-16_1 |
|
−0.34 ± 0.09 |
|
|
||||
| RUN3317 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7513 | MAT-POS-b3e365b9-1_1 |
|
EN300-222969_4_2_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN3710 | MAT-POS-b3e365b9-1_1 |
|
EN300-25986_3_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5407 | MAT-POS-b3e365b9-1_1 |
|
EN300-141224_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5703 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457160_1_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2074 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-5_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1325 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-13_7 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1008 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-d3acb8cc-1_1 |
|
−0.33 ± 0.09 |
|
|
||||
| RUN4669 | MAT-POS-b3e365b9-1_1 |
|
EN300-65839_4_2_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN6385 | MAT-POS-b3e365b9-1_1 |
|
EN300-172020_1_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6479 | MAT-POS-b3e365b9-1_1 |
|
EN300-119126_4_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1608 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-60_2 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6068 | MAT-POS-b3e365b9-1_1 |
|
EN300-212814_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1564 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-36_2 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN5920 | MAT-POS-b3e365b9-1_1 |
|
EN300-132963_3_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5958 | MAT-POS-b3e365b9-1_1 |
|
EN300-223964_3_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN5062 | MAT-POS-b3e365b9-1_1 |
|
EN300-246747_2_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN1941 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-6_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1351 | MAT-POS-b3e365b9-1_1 |
|
LAU-MED-88a3970a-7_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN2091 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-1f3f1a6f-1_2 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1781 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3735e77e-2_1 |
|
−0.33 ± 0.08 |
|
|
||||
| RUN5911 | MAT-POS-b3e365b9-1_1 |
|
EN300-1212475_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6050 | MAT-POS-b3e365b9-1_1 |
|
EN300-6482296_3_5_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4540 | MAT-POS-b3e365b9-1_1 |
|
EN300-1664603_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN5751 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-3_1_1 |
|
−0.32 ± 0.09 |
|
|
||||
| RUN1073 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-5c03e89e-1_2 |
|
−0.3 ± 0.1 |
|
|
||||
| RUN7721 | MAT-POS-b3e365b9-1_1 |
|
EN300-67191_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4041 | MAT-POS-b3e365b9-1_1 |
|
EN300-19242_4_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4528 | MAT-POS-b3e365b9-1_1 |
|
EN300-6729572_1_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN4003 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_4_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7628 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-5_1_1 |
|
−0.32 ± 0.09 |
|
|
||||
| RUN6105 | MAT-POS-b3e365b9-1_1 |
|
EN300-201551_2_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7065 | MAT-POS-b3e365b9-1_1 |
|
EN300-206592_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN2073 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-de59a476-5_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6019 | MAT-POS-b3e365b9-1_1 |
|
EN300-77092_4_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1201 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-14_3 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7288 | MAT-POS-b3e365b9-1_1 |
|
EN300-6764893_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2179 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-9e38fd34-1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2231 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-f9802937-7_1 |
|
−0.31 ± 0.06 |
|
|
||||
| RUN4209 | MAT-POS-b3e365b9-1_1 |
|
EN300-226964_3_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN192 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-9582b2c5-3_2 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN420 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-644c43c7-2_1 |
|
−0.3 ± 0.5 |
|
|
||||
| RUN4463 | MAT-POS-b3e365b9-1_1 |
|
EN300-310022_1_4_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN3264 | MAT-POS-b3e365b9-1_1 |
|
EN300-294602_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6316 | MAT-POS-b3e365b9-1_1 |
|
EN300-6498856_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN6612 | MAT-POS-b3e365b9-1_1 |
|
EN300-637424_2_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN7461 | MAT-POS-b3e365b9-1_1 |
|
EN300-1072199_2_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7049 | MAT-POS-b3e365b9-1_1 |
|
EN300-260760_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6142 | MAT-POS-b3e365b9-1_1 |
|
EN300-2007620_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5752 | MAT-POS-b3e365b9-1_1 |
|
EN300-1179673_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4574 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_1_2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN4661 | MAT-POS-b3e365b9-1_1 |
|
EN300-6489289_3_2_3 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN2215 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-80f122c8-3_5 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6447 | MAT-POS-b3e365b9-1_1 |
|
EN300-104088_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4036 | MAT-POS-b3e365b9-1_1 |
|
EN300-331993_3_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN7263 | MAT-POS-b3e365b9-1_1 |
|
EN300-92031_4_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6322 | MAT-POS-b3e365b9-1_1 |
|
EN300-27268_3_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7341 | MAT-POS-b3e365b9-1_1 |
|
EN300-126548_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN7819 | MAT-POS-b3e365b9-1_1 |
|
EN300-262204_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6248 | MAT-POS-b3e365b9-1_1 |
|
EN300-379533_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6236 | MAT-POS-b3e365b9-1_1 |
|
EN300-61021_2_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7103 | MAT-POS-b3e365b9-1_1 |
|
EN300-124052_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN4484 | MAT-POS-b3e365b9-1_1 |
|
EN300-718785_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6177 | MAT-POS-b3e365b9-1_1 |
|
EN300-104493_1_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN7061 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN7247 | MAT-POS-b3e365b9-1_1 |
|
EN300-367405_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6636 | MAT-POS-b3e365b9-1_1 |
|
EN300-39305_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5520 | MAT-POS-b3e365b9-1_1 |
|
EN300-71558_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN4988 | MAT-POS-b3e365b9-1_1 |
|
EN300-36089_3_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN7382 | MAT-POS-b3e365b9-1_1 |
|
EN300-66800_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5334 | MAT-POS-b3e365b9-1_1 |
|
EN300-77885_2_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5641 | MAT-POS-b3e365b9-1_1 |
|
EN300-1915260_1_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN1445 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-12_1 |
|
−0.3 ± 0.9 |
|
|
||||
| RUN6102 | MAT-POS-b3e365b9-1_1 |
|
EN300-250593_4_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6898 | MAT-POS-b3e365b9-1_1 |
|
EN300-48886_1_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN1910 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-17_1 |
|
−0.29 ± 0.05 |
|
|
||||
| RUN112 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-1dbca3b4-16_2 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN27 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0cde14eb-58_2 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN3048 | MAT-POS-b3e365b9-1_1 |
|
EN300-208236_3_2_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN6348 | MAT-POS-b3e365b9-1_1 |
|
EN300-1721883_1_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6247 | MAT-POS-b3e365b9-1_1 |
|
EN300-250593_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN5884 | MAT-POS-b3e365b9-1_1 |
|
EN300-6503811_1_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN776 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-14_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN7340 | MAT-POS-b3e365b9-1_1 |
|
EN300-29387_2_2_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN5422 | MAT-POS-b3e365b9-1_1 |
|
EN300-1238839_3_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN6315 | MAT-POS-b3e365b9-1_1 |
|
EN300-11195_4_1_1 |
|
−0.3 ± 0.3 |
|
|
||||
| RUN2611 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-ced740bd-2_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN7668 | MAT-POS-b3e365b9-1_1 |
|
EN300-1273172_2_1_1 |
|
−0.3 ± 0.2 |
|
|
||||
| RUN4694 | MAT-POS-b3e365b9-1_1 |
|
EN300-1072874_1_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN6786 | MAT-POS-b3e365b9-1_1 |
|
EN300-178876_2_1_1 |
|
−0.3 ± 0.4 |
|
|
||||
| RUN147 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-f13221e1-2_1 |
|
−0.3 ± 0.3 |
|
|
||||