| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN6353 | MAT-POS-b3e365b9-1_1 |
|
EN300-96001_1_1_1 |
|
−0.6 ± 0.3 |
|
|
||||
| RUN1059 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-f2e727cd-3_2 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5860 | MAT-POS-b3e365b9-1_1 |
|
EN300-370753_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN651 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-5_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN121 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-1dbca3b4-16_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6109 | MAT-POS-b3e365b9-1_1 |
|
EN300-6779469_1_3_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN723 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-29_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN7034 | MAT-POS-b3e365b9-1_1 |
|
EN300-100180_1_1_1 |
|
−0.5 ± 0.5 |
|
|
||||
| RUN2628 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5424 | MAT-POS-b3e365b9-1_1 |
|
EN300-1425608_1_3_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4415 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-5c03e89e-1_2_1 |
|
−0.5 ± 0.1 |
|
|
||||
| RUN2606 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-31_2 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6657 | MAT-POS-b3e365b9-1_1 |
|
EN300-67023_1_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7314 | MAT-POS-b3e365b9-1_1 |
|
EN300-17184_2_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN4128 | MAT-POS-b3e365b9-1_1 |
|
EN300-25702_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6413 | MAT-POS-b3e365b9-1_1 |
|
EN300-1178209_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5081 | MAT-POS-b3e365b9-1_1 |
|
EN300-306047_4_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN5637 | MAT-POS-b3e365b9-1_1 |
|
EN300-67573_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2693 | MAT-POS-b3e365b9-1_1 |
|
EN300-7351945_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN5267 | MAT-POS-b3e365b9-1_1 |
|
EN300-704025_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5798 | MAT-POS-b3e365b9-1_1 |
|
EN300-18249_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN6314 | MAT-POS-b3e365b9-1_1 |
|
EN300-1073320_2_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6122 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-13_1_1 |
|
−0.54 ± 0.10 |
|
|
||||
| RUN6364 | MAT-POS-b3e365b9-1_1 |
|
EN300-257945_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7676 | MAT-POS-b3e365b9-1_1 |
|
EN300-63781_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5699 | MAT-POS-b3e365b9-1_1 |
|
EN300-6763507_1_4_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7078 | MAT-POS-b3e365b9-1_1 |
|
EN300-76451_2_4_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6519 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355737_4_1_3 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6219 | MAT-POS-b3e365b9-1_1 |
|
EN300-1071940_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5214 | MAT-POS-b3e365b9-1_1 |
|
EN300-25386_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7229 | MAT-POS-b3e365b9-1_1 |
|
EN300-7121836_4_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6541 | MAT-POS-b3e365b9-1_1 |
|
EN300-36495_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3664 | MAT-POS-b3e365b9-1_1 |
|
EN300-310398_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN728 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-1_1 |
|
−0.5 ± 0.1 |
|
|
||||
| RUN6540 | MAT-POS-b3e365b9-1_1 |
|
EN300-1706036_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4468 | MAT-POS-b3e365b9-1_1 |
|
EN300-189563_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4782 | MAT-POS-b3e365b9-1_1 |
|
EN300-298552_3_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN7128 | MAT-POS-b3e365b9-1_1 |
|
EN300-705386_4_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7109 | MAT-POS-b3e365b9-1_1 |
|
EN300-1709213_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6575 | MAT-POS-b3e365b9-1_1 |
|
EN300-130825_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN323 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-b66f7109-2_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN4014 | MAT-POS-b3e365b9-1_1 |
|
EN300-13499_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6963 | MAT-POS-b3e365b9-1_1 |
|
EN300-383906_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6817 | MAT-POS-b3e365b9-1_1 |
|
EN300-359750_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN2040 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-48_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6707 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-1_1_1 |
|
−0.5 ± 0.1 |
|
|
||||
| RUN7786 | MAT-POS-b3e365b9-1_1 |
|
EN300-7438088_2_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6814 | MAT-POS-b3e365b9-1_1 |
|
EN300-18557_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3434 | MAT-POS-b3e365b9-1_1 |
|
EN300-1091448_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2686 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-15_2 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN1416 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-31_2 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2365 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-40433386-9_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6189 | MAT-POS-b3e365b9-1_1 |
|
EN300-1452069_1_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4769 | MAT-POS-b3e365b9-1_1 |
|
EN300-7540889_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3343 | MAT-POS-b3e365b9-1_1 |
|
EN300-249421_3_4_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3809 | MAT-POS-b3e365b9-1_1 |
|
EN300-298552_3_2_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN1656 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-93_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN7742 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444635_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6857 | MAT-POS-b3e365b9-1_1 |
|
EN300-132523_1_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN4749 | MAT-POS-b3e365b9-1_1 |
|
EN300-126389_2_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN333 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-50011917-3_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6877 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600786_4_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6065 | MAT-POS-b3e365b9-1_1 |
|
EN300-1265948_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2539 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-0b412456-1_2 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN2364 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-13_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN1439 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-50_2 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6830 | MAT-POS-b3e365b9-1_1 |
|
EN300-6766760_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN4440 | MAT-POS-b3e365b9-1_1 |
|
EN300-92472_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN1495 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-65_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN280 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-5_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN5053 | MAT-POS-b3e365b9-1_1 |
|
EN300-6499164_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN2399 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-15_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6320 | MAT-POS-b3e365b9-1_1 |
|
EN300-79536_2_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7497 | MAT-POS-b3e365b9-1_1 |
|
EN300-30768_3_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5183 | MAT-POS-b3e365b9-1_1 |
|
EN300-263669_3_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN3093 | MAT-POS-b3e365b9-1_1 |
|
EN300-84785_1_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN4097 | MAT-POS-b3e365b9-1_1 |
|
EN300-255496_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6946 | MAT-POS-b3e365b9-1_1 |
|
EN300-249421_1_3_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7120 | MAT-POS-b3e365b9-1_1 |
|
EN300-3044054_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN237 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-05e51b3f-5_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN6275 | MAT-POS-b3e365b9-1_1 |
|
EN300-14458_2_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN4375 | MAT-POS-b3e365b9-1_1 |
|
EN300-102901_3_1_1 |
|
−0.5 ± 0.5 |
|
|
||||
| RUN7145 | MAT-POS-b3e365b9-1_1 |
|
EN300-198540_1_2_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7673 | MAT-POS-b3e365b9-1_1 |
|
EN300-1241327_4_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN7104 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253178_4_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6792 | MAT-POS-b3e365b9-1_1 |
|
EN300-174561_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN5417 | MAT-POS-b3e365b9-1_1 |
|
EN300-246992_3_2_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN6680 | MAT-POS-b3e365b9-1_1 |
|
EN300-7493922_1_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN4658 | MAT-POS-b3e365b9-1_1 |
|
EN300-1719401_1_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN1390 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-11_6 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7765 | MAT-POS-b3e365b9-1_1 |
|
EN300-176587_2_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN6852 | MAT-POS-b3e365b9-1_1 |
|
EN300-216968_1_1_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6213 | MAT-POS-b3e365b9-1_1 |
|
EN300-155447_2_1_1 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN1712 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-101_2 |
|
−0.5 ± 0.2 |
|
|
||||
| RUN783 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-33_2 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN6249 | MAT-POS-b3e365b9-1_1 |
|
EN300-6478434_1_1_1 |
|
−0.5 ± 0.5 |
|
|
||||
| RUN1012 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-c2bc0d80-4_1 |
|
−0.5 ± 0.3 |
|
|
||||
| RUN5709 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600786_4_1_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN7096 | MAT-POS-b3e365b9-1_1 |
|
EN300-141695_4_2_1 |
|
−0.5 ± 0.4 |
|
|
||||
| RUN294 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-10_2 |
|
−0.50 ± 0.10 |
|
|
||||