| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN1811 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-2d450e86-24_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN4897 | MAT-POS-b3e365b9-1_1 |
|
EN300-27341_3_1_1 |
|
0.5 ± 0.4 |
|
|
||||
| RUN955 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-26_6 |
|
0.5 ± 0.3 |
|
|
||||
| RUN5487 | MAT-POS-b3e365b9-1_1 |
|
EN300-35450_1_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN4973 | MAT-POS-b3e365b9-1_1 |
|
EN300-65978_3_1_1 |
|
0.5 ± 0.5 |
|
|
||||
| RUN5627 | MAT-POS-b3e365b9-1_1 |
|
EN300-97758_4_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN441 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-3_1 |
|
0.5 ± 0.4 |
|
|
||||
| RUN5743 | MAT-POS-b3e365b9-1_1 |
|
EN300-6479181_2_2_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN7422 | MAT-POS-b3e365b9-1_1 |
|
EN300-741822_1_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN5040 | MAT-POS-b3e365b9-1_1 |
|
EN300-73582_1_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN1917 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-28_1 |
|
0.53 ± 0.07 |
|
|
||||
| RUN2227 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-80f122c8-1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN5098 | MAT-POS-b3e365b9-1_1 |
|
EN300-135735_1_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN5633 | MAT-POS-b3e365b9-1_1 |
|
EN300-219020_2_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN1793 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-2d450e86-8_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN7692 | MAT-POS-b3e365b9-1_1 |
|
EN300-1987964_2_1_2 |
|
0.5 ± 0.2 |
|
|
||||
| RUN4296 | MAT-POS-b3e365b9-1_1 |
|
EN300-269525_1_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN5989 | MAT-POS-b3e365b9-1_1 |
|
EN300-317555_4_1_2 |
|
0.5 ± 0.5 |
|
|
||||
| RUN7808 | MAT-POS-b3e365b9-1_1 |
|
EN300-7438575_2_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN7712 | MAT-POS-b3e365b9-1_1 |
|
EN300-70064_4_1_1 |
|
0.5 ± 0.4 |
|
|
||||
| RUN219 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-5_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN7816 | MAT-POS-b3e365b9-1_1 |
|
EN300-68794_2_1_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN7022 | MAT-POS-b3e365b9-1_1 |
|
EN300-1262608_2_1_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN1875 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-2_1 |
|
0.5 ± 0.1 |
|
|
||||
| RUN6264 | MAT-POS-b3e365b9-1_1 |
|
EN300-23214_3_2_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN4318 | MAT-POS-b3e365b9-1_1 |
|
EN300-36158_2_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN6999 | MAT-POS-b3e365b9-1_1 |
|
EN300-71126_1_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN1528 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-4c68219f-1_4 |
|
0.5 ± 0.4 |
|
|
||||
| RUN7316 | MAT-POS-b3e365b9-1_1 |
|
EN300-37077_2_1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN40 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-3b92565d-1_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN1082 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-c11c1343-1_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN7046 | MAT-POS-b3e365b9-1_1 |
|
EN300-65839_4_1_1 |
|
0.5 ± 0.4 |
|
|
||||
| RUN16 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-00c1612e-1_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN4235 | MAT-POS-b3e365b9-1_1 |
|
EN300-35843_1_1_2 |
|
0.5 ± 0.2 |
|
|
||||
| RUN37 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-3b848b35-2_2 |
|
0.5 ± 0.3 |
|
|
||||
| RUN3963 | MAT-POS-b3e365b9-1_1 |
|
EN300-217107_2_1_1 |
|
0.5 ± 0.2 |
|
|
||||
| RUN2069 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-76695c4f-2_1 |
|
0.5 ± 0.4 |
|
|
||||
| RUN1490 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-62_1 |
|
0.5 ± 0.3 |
|
|
||||
| RUN1592 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-73_1 |
|
0.5 ± 0.4 |
|
|
||||
| RUN7665 | MAT-POS-b3e365b9-1_1 |
|
EN300-260262_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN3764 | MAT-POS-b3e365b9-1_1 |
|
EN300-100689_3_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2211 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e69ad64a-3_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1422 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-29_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN4477 | MAT-POS-b3e365b9-1_1 |
|
EN300-113507_2_1_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN6188 | MAT-POS-b3e365b9-1_1 |
|
EN300-23648_2_1_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN5120 | MAT-POS-b3e365b9-1_1 |
|
EN300-73772_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7380 | MAT-POS-b3e365b9-1_1 |
|
EN300-331476_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1804 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-2d450e86-6_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN7545 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444533_2_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1069 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-f2e727cd-6_3 |
|
0.6 ± 0.4 |
|
|
||||
| RUN5215 | MAT-POS-b3e365b9-1_1 |
|
EN300-60330_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7013 | MAT-POS-b3e365b9-1_1 |
|
EN300-35642_1_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN713 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-31_4 |
|
0.6 ± 0.2 |
|
|
||||
| RUN817 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN5471 | MAT-POS-b3e365b9-1_1 |
|
EN300-1725538_3_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN4816 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008120_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2462 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-7_3 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1168 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-8416115c-6_3 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5665 | MAT-POS-b3e365b9-1_1 |
|
EN300-113234_4_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6887 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_4_2_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN1645 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-83_2 |
|
0.6 ± 0.4 |
|
|
||||
| RUN6997 | MAT-POS-b3e365b9-1_1 |
|
EN300-247428_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2108 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-3_2 |
|
0.6 ± 0.3 |
|
|
||||
| RUN4670 | MAT-POS-b3e365b9-1_1 |
|
EN300-321110_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5998 | MAT-POS-b3e365b9-1_1 |
|
EN300-254105_1_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN7443 | MAT-POS-b3e365b9-1_1 |
|
EN300-90206_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN647 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-3_10 |
|
0.6 ± 0.5 |
|
|
||||
| RUN2533 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-23_3 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7732 | MAT-POS-b3e365b9-1_1 |
|
EN300-259063_2_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1841 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-2d450e86-25_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5639 | MAT-POS-b3e365b9-1_1 |
|
EN300-96175_1_1_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN7460 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-26_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN243 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-477dc5b7-1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5238 | MAT-POS-b3e365b9-1_1 |
|
EN300-104746_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5863 | MAT-POS-b3e365b9-1_1 |
|
EN300-342226_4_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2090 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-76695c4f-5_2 |
|
0.6 ± 0.3 |
|
|
||||
| RUN4865 | MAT-POS-b3e365b9-1_1 |
|
EN300-1425677_2_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN6346 | MAT-POS-b3e365b9-1_1 |
|
EN300-154168_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6922 | MAT-POS-b3e365b9-1_1 |
|
EN300-224499_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6966 | MAT-POS-b3e365b9-1_1 |
|
EN300-6764836_2_5_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1344 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-a38a7bdd-6_4 |
|
0.6 ± 0.5 |
|
|
||||
| RUN2532 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-23_2 |
|
0.6 ± 0.5 |
|
|
||||
| RUN5859 | MAT-POS-b3e365b9-1_1 |
|
EN300-98038_2_1_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN2395 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-12_2 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1627 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-74_5 |
|
0.6 ± 0.4 |
|
|
||||
| RUN6044 | MAT-POS-b3e365b9-1_1 |
|
EN300-7448078_1_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN108 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-9ff17035-3_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN5914 | MAT-POS-b3e365b9-1_1 |
|
EN300-6488240_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN4038 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494361_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6243 | MAT-POS-b3e365b9-1_1 |
|
EN300-113507_4_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5828 | MAT-POS-b3e365b9-1_1 |
|
EN300-74306_2_1_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN310 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-5_2 |
|
0.6 ± 0.4 |
|
|
||||
| RUN348 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-b66f7109-4_2 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2411 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-40433386-1_2 |
|
0.6 ± 0.3 |
|
|
||||
| RUN96 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-d36ab305-1_2 |
|
0.6 ± 0.4 |
|
|
||||
| RUN7802 | MAT-POS-b3e365b9-1_1 |
|
EN300-62192_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5928 | MAT-POS-b3e365b9-1_1 |
|
EN300-386200_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN636 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-3_5 |
|
0.6 ± 0.4 |
|
|
||||
| RUN3432 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-34f3ed0c-1_1_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN2129 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-e0fe77e5-13_1 |
|
0.6 ± 0.2 |
|
|
||||