| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN6593 | MAT-POS-b3e365b9-1_1 |
|
EN300-217499_1_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1594 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-14_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1631 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-74_2 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2135 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-13_5 |
|
0.6 ± 0.7 |
|
|
||||
| RUN5320 | MAT-POS-b3e365b9-1_1 |
|
EN300-80522_2_1_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN5405 | MAT-POS-b3e365b9-1_1 |
|
EN300-48886_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5843 | MAT-POS-b3e365b9-1_1 |
|
EN300-36158_2_2_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN664 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-ffc90da7-7_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN5357 | MAT-POS-b3e365b9-1_1 |
|
EN300-152337_2_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7363 | MAT-POS-b3e365b9-1_1 |
|
EN300-31210_3_1_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN1545 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-23_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN7162 | MAT-POS-b3e365b9-1_1 |
|
EN300-817873_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN3519 | MAT-POS-b3e365b9-1_1 |
|
EN300-1608240_1_2_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN7030 | MAT-POS-b3e365b9-1_1 |
|
EN300-93474_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7420 | MAT-POS-b3e365b9-1_1 |
|
EN300-1720418_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6904 | MAT-POS-b3e365b9-1_1 |
|
EN300-7550802_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7047 | MAT-POS-b3e365b9-1_1 |
|
EN300-23129_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6815 | MAT-POS-b3e365b9-1_1 |
|
EN300-254908_2_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN1771 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-2d450e86-12_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN937 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-26_4 |
|
0.6 ± 0.3 |
|
|
||||
| RUN520 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-bcd487e9-10_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN450 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-7_2 |
|
0.6 ± 0.4 |
|
|
||||
| RUN730 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-83e0a0b4-4_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN4953 | MAT-POS-b3e365b9-1_1 |
|
EN300-624143_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7442 | MAT-POS-b3e365b9-1_1 |
|
EN300-23214_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1956 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6876 | MAT-POS-b3e365b9-1_1 |
|
EN300-87528_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2009 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-30_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN6491 | MAT-POS-b3e365b9-1_1 |
|
EN300-30572_3_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN2065 | MAT-POS-b3e365b9-1_1 |
|
LEE-CAM-7ab9b158-1_3 |
|
0.6 ± 0.4 |
|
|
||||
| RUN5821 | MAT-POS-b3e365b9-1_1 |
|
EN300-39504_3_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN6668 | MAT-POS-b3e365b9-1_1 |
|
EN300-227055_3_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7073 | MAT-POS-b3e365b9-1_1 |
|
EN300-1268016_2_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7471 | MAT-POS-b3e365b9-1_1 |
|
EN300-102988_1_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN3714 | MAT-POS-b3e365b9-1_1 |
|
EN300-1655797_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN421 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-9_1 |
|
0.63 ± 0.07 |
|
|
||||
| RUN7413 | MAT-POS-b3e365b9-1_1 |
|
EN300-233951_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN4323 | MAT-POS-b3e365b9-1_1 |
|
EN300-55072_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN650 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-ffc90da7-1_4 |
|
0.6 ± 0.4 |
|
|
||||
| RUN6952 | MAT-POS-b3e365b9-1_1 |
|
EN300-1260794_2_2_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN41 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-c9c1e0d8-2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2145 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-1f3f1a6f-4_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN2315 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-0676e700-27_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1918 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-27_1 |
|
0.63 ± 0.10 |
|
|
||||
| RUN1883 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-6_1 |
|
0.63 ± 0.07 |
|
|
||||
| RUN7345 | MAT-POS-b3e365b9-1_1 |
|
EN300-746852_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1642 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-83_4 |
|
0.6 ± 0.3 |
|
|
||||
| RUN568 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-50cce87d-4_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2104 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-8_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN7809 | MAT-POS-b3e365b9-1_1 |
|
EN300-109920_2_3_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN4496 | MAT-POS-b3e365b9-1_1 |
|
EN300-1688974_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1615 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-61_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN2196 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-5d232de5-6_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN2225 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-80f122c8-3_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1588 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-55_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6897 | MAT-POS-b3e365b9-1_1 |
|
EN300-6498888_1_2_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN493 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-bcd487e9-4_2 |
|
0.6 ± 0.4 |
|
|
||||
| RUN5129 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444533_2_4_1 |
|
0.6 ± 0.2 |
|
|
||||
| RUN6113 | MAT-POS-b3e365b9-1_1 |
|
EN300-1705754_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6476 | MAT-POS-b3e365b9-1_1 |
|
EN300-3143295_3_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN6096 | MAT-POS-b3e365b9-1_1 |
|
EN300-129424_1_4_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1901 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-18_2 |
|
0.6 ± 0.1 |
|
|
||||
| RUN671 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-3_12 |
|
0.6 ± 0.4 |
|
|
||||
| RUN4237 | MAT-POS-b3e365b9-1_1 |
|
EN300-7543132_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN1775 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-106_1 |
|
0.6 ± 0.5 |
|
|
||||
| RUN1464 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-66_4 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7098 | MAT-POS-b3e365b9-1_1 |
|
EN300-08259_2_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN6697 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457160_2_2_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN7277 | MAT-POS-b3e365b9-1_1 |
|
EN300-257949_1_1_1 |
|
0.6 ± 0.3 |
|
|
||||
| RUN5389 | MAT-POS-b3e365b9-1_1 |
|
EN300-261986_4_1_1 |
|
0.6 ± 0.4 |
|
|
||||
| RUN6218 | MAT-POS-b3e365b9-1_1 |
|
EN300-367405_2_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN7633 | MAT-POS-b3e365b9-1_1 |
|
EN300-173562_2_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN1514 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-74_2 |
|
0.7 ± 0.4 |
|
|
||||
| RUN6261 | MAT-POS-b3e365b9-1_1 |
|
EN300-31242_1_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN6801 | MAT-POS-b3e365b9-1_1 |
|
EN300-210089_2_3_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN7177 | MAT-POS-b3e365b9-1_1 |
|
EN300-83434_2_2_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN4438 | MAT-POS-b3e365b9-1_1 |
|
EN300-1709315_1_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN44 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-c9c1e0d8-1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN5584 | MAT-POS-b3e365b9-1_1 |
|
EN300-18557_3_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN6052 | MAT-POS-b3e365b9-1_1 |
|
EN300-67023_3_2_1 |
|
0.7 ± 0.5 |
|
|
||||
| RUN7624 | MAT-POS-b3e365b9-1_1 |
|
EN300-137255_1_2_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN990 | MAT-POS-b3e365b9-1_1 |
|
NAU-LAT-2fed8305-3_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN6162 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_4_3_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN7463 | MAT-POS-b3e365b9-1_1 |
|
EN300-83434_2_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN351 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-23e5a6a0-10_2 |
|
0.7 ± 0.3 |
|
|
||||
| RUN1497 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-2_1 |
|
0.7 ± 0.2 |
|
|
||||
| RUN2072 | MAT-POS-b3e365b9-1_1 |
|
LEE-CAM-7ab9b158-3_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN4872 | MAT-POS-b3e365b9-1_1 |
|
EN300-2007620_2_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN2623 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-14_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN4849 | MAT-POS-b3e365b9-1_1 |
|
EN300-6503811_2_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN483 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-2_2 |
|
0.7 ± 0.3 |
|
|
||||
| RUN6936 | MAT-POS-b3e365b9-1_1 |
|
EN300-50194_1_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN608 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-1_6 |
|
0.7 ± 0.4 |
|
|
||||
| RUN4169 | MAT-POS-b3e365b9-1_1 |
|
EN300-80083_4_2_1 |
|
0.7 ± 0.4 |
|
|
||||
| RUN5331 | MAT-POS-b3e365b9-1_1 |
|
EN300-244909_2_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN847 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-12_6 |
|
0.7 ± 0.3 |
|
|
||||
| RUN6888 | MAT-POS-b3e365b9-1_1 |
|
EN300-1238839_3_1_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN5621 | MAT-POS-b3e365b9-1_1 |
|
EN300-51961_1_2_1 |
|
0.7 ± 0.3 |
|
|
||||
| RUN1915 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-5d65ec79-2_2 |
|
0.7 ± 0.2 |
|
|
||||
| RUN6805 | MAT-POS-b3e365b9-1_1 |
|
EN300-195743_2_1_1 |
|
0.7 ± 0.3 |
|
|
||||