| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5080 | MAT-POS-b3e365b9-1_1 |
|
EN300-195756_2_2_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN3339 | MAT-POS-b3e365b9-1_1 |
|
EN300-1273016_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN6152 | MAT-POS-b3e365b9-1_1 |
|
EN300-18569_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN3763 | MAT-POS-b3e365b9-1_1 |
|
EN300-95639_1_2_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4773 | MAT-POS-b3e365b9-1_1 |
|
EN300-126555_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN2240 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-2da19ca7-7_2 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN2111 | MAT-POS-b3e365b9-1_1 |
|
VLA-UNK-f702bf1c-3_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN6974 | MAT-POS-b3e365b9-1_1 |
|
EN300-20233_2_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN1797 | MAT-POS-b3e365b9-1_1 |
|
CHO-MSK-5891c1ff-5_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN3991 | MAT-POS-b3e365b9-1_1 |
|
EN300-195590_3_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN239 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-05e51b3f-6_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN1522 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-13_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN4804 | MAT-POS-b3e365b9-1_1 |
|
EN300-1723511_2_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN6534 | MAT-POS-b3e365b9-1_1 |
|
EN300-66845_3_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN3805 | MAT-POS-b3e365b9-1_1 |
|
EN300-36690_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN366 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-9_2 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN1438 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-53_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN750 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-31_8 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN4767 | MAT-POS-b3e365b9-1_1 |
|
EN300-185378_2_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN4604 | MAT-POS-b3e365b9-1_1 |
|
EN300-202757_1_2_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5819 | MAT-POS-b3e365b9-1_1 |
|
EN300-108507_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN1580 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-25_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5209 | MAT-POS-b3e365b9-1_1 |
|
EN300-68635_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5595 | MAT-POS-b3e365b9-1_1 |
|
EN300-2977549_2_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN3016 | MAT-POS-b3e365b9-1_1 |
|
EN300-1662365_1_2_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5868 | MAT-POS-b3e365b9-1_1 |
|
EN300-255496_3_2_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN6924 | MAT-POS-b3e365b9-1_1 |
|
EN300-261365_2_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN1341 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-13_4 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4847 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_2_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN7455 | MAT-POS-b3e365b9-1_1 |
|
EN300-157897_2_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN2464 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-2_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5024 | MAT-POS-b3e365b9-1_1 |
|
EN300-6473273_3_2_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN3229 | MAT-POS-b3e365b9-1_1 |
|
EN300-249421_1_4_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN2170 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-13_7 |
|
−0.8 ± 0.5 |
|
|
||||
| RUN4389 | MAT-POS-b3e365b9-1_1 |
|
EN300-214800_2_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN2212 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-80f122c8-5_4 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5240 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_4_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN3661 | MAT-POS-b3e365b9-1_1 |
|
EN300-304135_3_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN7070 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600517_4_1_1 |
|
−0.8 ± 0.5 |
|
|
||||
| RUN4913 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-5_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN6284 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-6_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN6628 | MAT-POS-b3e365b9-1_1 |
|
EN300-331993_4_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN4310 | MAT-POS-b3e365b9-1_1 |
|
EN300-26147_3_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN4180 | MAT-POS-b3e365b9-1_1 |
|
EN300-6478631_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5299 | MAT-POS-b3e365b9-1_1 |
|
EN300-128750_3_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4211 | MAT-POS-b3e365b9-1_1 |
|
EN300-207959_3_2_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN4650 | MAT-POS-b3e365b9-1_1 |
|
EN300-1267093_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5318 | MAT-POS-b3e365b9-1_1 |
|
EN300-181492_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN1668 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-100_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5270 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008120_1_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN4387 | MAT-POS-b3e365b9-1_1 |
|
EN300-270710_2_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN6209 | MAT-POS-b3e365b9-1_1 |
|
EN300-21303_4_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5936 | MAT-POS-b3e365b9-1_1 |
|
EN300-55250_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN2003 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-cc05818f-1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN328 | MAT-POS-b3e365b9-1_1 |
|
FRA-DIA-b66f7109-1_2 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN6758 | MAT-POS-b3e365b9-1_1 |
|
EN300-384234_1_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN4024 | MAT-POS-b3e365b9-1_1 |
|
EN300-131219_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5905 | MAT-POS-b3e365b9-1_1 |
|
EN300-6497238_1_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN6663 | MAT-POS-b3e365b9-1_1 |
|
EN300-1073320_2_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN6693 | MAT-POS-b3e365b9-1_1 |
|
EN300-396146_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4420 | MAT-POS-b3e365b9-1_1 |
|
EN300-174668_3_2_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN5771 | MAT-POS-b3e365b9-1_1 |
|
EN300-138953_1_2_1 |
|
−0.8 ± 0.5 |
|
|
||||
| RUN5077 | MAT-POS-b3e365b9-1_1 |
|
EN300-6238494_1_2_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN7623 | MAT-POS-b3e365b9-1_1 |
|
EN300-68203_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN4740 | MAT-POS-b3e365b9-1_1 |
|
EN300-317082_4_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN3647 | MAT-POS-b3e365b9-1_1 |
|
EN300-82616_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5250 | MAT-POS-b3e365b9-1_1 |
|
EN300-17184_4_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN7239 | MAT-POS-b3e365b9-1_1 |
|
EN300-133788_2_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN222 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-13_1 |
|
−0.77 ± 0.10 |
|
|
||||
| RUN6160 | MAT-POS-b3e365b9-1_1 |
|
EN300-2972220_3_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5941 | MAT-POS-b3e365b9-1_1 |
|
EN300-761209_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN4859 | MAT-POS-b3e365b9-1_1 |
|
EN300-154201_1_2_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN7755 | MAT-POS-b3e365b9-1_1 |
|
EN300-59487_4_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN6944 | MAT-POS-b3e365b9-1_1 |
|
EN300-7003350_4_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4220 | MAT-POS-b3e365b9-1_1 |
|
EN300-154179_1_4_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN3961 | MAT-POS-b3e365b9-1_1 |
|
EN300-7463161_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4609 | MAT-POS-b3e365b9-1_1 |
|
EN300-332838_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5719 | MAT-POS-b3e365b9-1_1 |
|
EN300-08259_1_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN717 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-5a93dd5f-12_6 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN7483 | MAT-POS-b3e365b9-1_1 |
|
EN300-195790_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN7355 | MAT-POS-b3e365b9-1_1 |
|
EN300-6498351_3_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN6902 | MAT-POS-b3e365b9-1_1 |
|
EN300-66764_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN7280 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_2_2_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5265 | MAT-POS-b3e365b9-1_1 |
|
EN300-97758_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5783 | MAT-POS-b3e365b9-1_1 |
|
EN300-73662_1_1_1 |
|
−0.8 ± 0.4 |
|
|
||||
| RUN5725 | MAT-POS-b3e365b9-1_1 |
|
EN300-6480588_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN3861 | MAT-POS-b3e365b9-1_1 |
|
EN300-90206_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4583 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_1_6_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN2636 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-7_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4195 | MAT-POS-b3e365b9-1_1 |
|
EN300-70064_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5527 | MAT-POS-b3e365b9-1_1 |
|
EN300-120282_4_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN7591 | MAT-POS-b3e365b9-1_1 |
|
EN300-141809_1_2_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN7629 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355979_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5543 | MAT-POS-b3e365b9-1_1 |
|
EN300-1241327_2_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN5346 | MAT-POS-b3e365b9-1_1 |
|
EN300-55072_1_2_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5787 | MAT-POS-b3e365b9-1_1 |
|
EN300-705381_1_1_1 |
|
−0.8 ± 0.2 |
|
|
||||
| RUN5757 | MAT-POS-b3e365b9-1_1 |
|
EN300-6734977_2_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN2401 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-40433386-7_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN4159 | MAT-POS-b3e365b9-1_1 |
|
EN300-28871_1_1_1 |
|
−0.8 ± 0.3 |
|
|
||||
| RUN6744 | MAT-POS-b3e365b9-1_1 |
|
PET-UNK-29afea89-2_1_1 |
|
−0.8 ± 0.1 |
|
|
||||