| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5935 | MAT-POS-b3e365b9-1_1 |
|
EN300-41863_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN7313 | MAT-POS-b3e365b9-1_1 |
|
EN300-6733137_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3675 | MAT-POS-b3e365b9-1_1 |
|
EN300-6734171_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6201 | MAT-POS-b3e365b9-1_1 |
|
EN300-371704_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5883 | MAT-POS-b3e365b9-1_1 |
|
EN300-246747_4_2_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7060 | MAT-POS-b3e365b9-1_1 |
|
EN300-3044054_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4835 | MAT-POS-b3e365b9-1_1 |
|
EN300-210254_1_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7323 | MAT-POS-b3e365b9-1_1 |
|
EN300-6501360_3_2_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6622 | MAT-POS-b3e365b9-1_1 |
|
EN300-69162_4_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN11 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-3b848b35-1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN388 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-2_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN4616 | MAT-POS-b3e365b9-1_1 |
|
EN300-370967_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7217 | MAT-POS-b3e365b9-1_1 |
|
EN300-1709315_1_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7436 | MAT-POS-b3e365b9-1_1 |
|
EN300-1083988_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN1994 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-89e65850-3_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7011 | MAT-POS-b3e365b9-1_1 |
|
EN300-28177_2_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN614 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-2_4 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7258 | MAT-POS-b3e365b9-1_1 |
|
EN300-1651623_1_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6508 | MAT-POS-b3e365b9-1_1 |
|
EN300-69162_1_2_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN3757 | MAT-POS-b3e365b9-1_1 |
|
EN300-2007564_1_2_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7379 | MAT-POS-b3e365b9-1_1 |
|
EN300-6734334_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN5268 | MAT-POS-b3e365b9-1_1 |
|
EN300-97300_2_3_1 |
|
−0.5 ± 0.1 |
|
|
||||
| RUN538 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-5_2 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN5387 | MAT-POS-b3e365b9-1_1 |
|
EN300-98648_1_2_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN5824 | MAT-POS-b3e365b9-1_1 |
|
EN300-115017_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN1279 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-ce760d3f-5_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN1360 | MAT-POS-b3e365b9-1_1 |
|
LAU-MED-88a3970a-13_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN3021 | MAT-POS-b3e365b9-1_1 |
|
EN300-92684_1_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7278 | MAT-POS-b3e365b9-1_1 |
|
EN300-51028_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4993 | MAT-POS-b3e365b9-1_1 |
|
EN300-70489_2_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5515 | MAT-POS-b3e365b9-1_1 |
|
EN300-34491_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5003 | MAT-POS-b3e365b9-1_1 |
|
EN300-65050_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6007 | MAT-POS-b3e365b9-1_1 |
|
EN300-363154_1_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN5406 | MAT-POS-b3e365b9-1_1 |
|
EN300-203293_4_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4895 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_4_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5841 | MAT-POS-b3e365b9-1_1 |
|
EN300-6745581_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2381 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-0676e700-30_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN2348 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-8_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6406 | MAT-POS-b3e365b9-1_1 |
|
EN300-7463275_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5455 | MAT-POS-b3e365b9-1_1 |
|
EN300-31148_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2564 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-25_1 |
|
−0.5 ± 0.8 |
|
|
||||
| RUN6699 | MAT-POS-b3e365b9-1_1 |
|
EN300-70489_1_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5910 | MAT-POS-b3e365b9-1_1 |
|
EN300-200609_1_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN3635 | MAT-POS-b3e365b9-1_1 |
|
EN300-122656_2_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN4772 | MAT-POS-b3e365b9-1_1 |
|
EN300-44149_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5462 | MAT-POS-b3e365b9-1_1 |
|
EN300-7436306_4_1_2 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN4327 | MAT-POS-b3e365b9-1_1 |
|
EN300-23223_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5090 | MAT-POS-b3e365b9-1_1 |
|
EN300-266117_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7669 | MAT-POS-b3e365b9-1_1 |
|
EN300-6482296_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4995 | MAT-POS-b3e365b9-1_1 |
|
EN300-185378_2_2_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN1688 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-92_2 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6269 | MAT-POS-b3e365b9-1_1 |
|
EN300-226314_4_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7023 | MAT-POS-b3e365b9-1_1 |
|
EN300-71125_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7570 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-6_1_1 |
|
−0.47 ± 0.06 |
|
|
||||
| RUN5835 | MAT-POS-b3e365b9-1_1 |
|
EN300-123205_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3783 | MAT-POS-b3e365b9-1_1 |
|
EN300-1265948_3_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN4634 | MAT-POS-b3e365b9-1_1 |
|
EN300-90293_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7219 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-24_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN1562 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-4c68219f-5_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5579 | MAT-POS-b3e365b9-1_1 |
|
EN300-35450_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3919 | MAT-POS-b3e365b9-1_1 |
|
EN300-217494_2_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4119 | MAT-POS-b3e365b9-1_1 |
|
EN300-260696_1_3_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7190 | MAT-POS-b3e365b9-1_1 |
|
EN300-1268016_2_11_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN689 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-83e0a0b4-3_2 |
|
−0.5 ± 0.5 |
|
|
||||
| RUN4433 | MAT-POS-b3e365b9-1_1 |
|
EN300-23318_3_3_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6544 | MAT-POS-b3e365b9-1_1 |
|
EN300-1266218_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3680 | MAT-POS-b3e365b9-1_1 |
|
EN300-24297_4_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7660 | MAT-POS-b3e365b9-1_1 |
|
EN300-96159_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2093 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-de59a476-6_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN5329 | MAT-POS-b3e365b9-1_1 |
|
EN300-172870_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN1629 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-74_8 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6648 | MAT-POS-b3e365b9-1_1 |
|
EN300-216594_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5358 | MAT-POS-b3e365b9-1_1 |
|
EN300-6504714_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN122 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-c66144cb-1_2 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5097 | MAT-POS-b3e365b9-1_1 |
|
EN300-7089802_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7367 | MAT-POS-b3e365b9-1_1 |
|
EN300-210089_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7192 | MAT-POS-b3e365b9-1_1 |
|
EN300-31969_2_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN1727 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ee5ed7c8-3_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN4469 | MAT-POS-b3e365b9-1_1 |
|
EN300-18564_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7264 | MAT-POS-b3e365b9-1_1 |
|
EN300-1663228_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3882 | MAT-POS-b3e365b9-1_1 |
|
EN300-305454_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4708 | MAT-POS-b3e365b9-1_1 |
|
EN300-325738_3_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3504 | MAT-POS-b3e365b9-1_1 |
|
EN300-75342_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3981 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-5_1_1 |
|
−0.5 ± 0.5 |
|
|
||||
| RUN7221 | MAT-POS-b3e365b9-1_1 |
|
EN300-316196_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6440 | MAT-POS-b3e365b9-1_1 |
|
EN300-6255179_2_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN7020 | MAT-POS-b3e365b9-1_1 |
|
EN300-1068239_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5340 | MAT-POS-b3e365b9-1_1 |
|
EN300-131093_1_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5079 | MAT-POS-b3e365b9-1_1 |
|
EN300-23223_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN6587 | MAT-POS-b3e365b9-1_1 |
|
EN300-7426383_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4222 | MAT-POS-b3e365b9-1_1 |
|
EN300-5253939_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7026 | MAT-POS-b3e365b9-1_1 |
|
EN300-6497226_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN6290 | MAT-POS-b3e365b9-1_1 |
|
EN300-08063_3_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN3380 | MAT-POS-b3e365b9-1_1 |
|
EN300-00904_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2506 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-14_5 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7059 | MAT-POS-b3e365b9-1_1 |
|
EN300-96362_3_1_1 |
|
−0.5 ± 0.6 |
|
|
||||
| RUN6480 | MAT-POS-b3e365b9-1_1 |
|
EN300-7431365_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5496 | MAT-POS-b3e365b9-1_1 |
|
EN300-71560_3_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN6205 | MAT-POS-b3e365b9-1_1 |
|
EN300-29228_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2061 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-76695c4f-6_1 |
|
−0.4 ± 0.3 |
|
|
||||