| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5483 | MAT-POS-b3e365b9-1_1 |
|
EN300-97300_1_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN5259 | MAT-POS-b3e365b9-1_1 |
|
EN300-20980_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN1247 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-23a8a11a-1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6417 | MAT-POS-b3e365b9-1_1 |
|
EN300-22880_3_1_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN51 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-3b92565d-3_1 |
|
−0.7 ± 0.5 |
|
|
||||
| RUN7333 | MAT-POS-b3e365b9-1_1 |
|
EN300-118869_1_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7050 | MAT-POS-b3e365b9-1_1 |
|
EN300-122340_3_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6645 | MAT-POS-b3e365b9-1_1 |
|
EN300-58433_1_1_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN1482 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-55_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN7478 | MAT-POS-b3e365b9-1_1 |
|
EN300-195756_1_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7528 | MAT-POS-b3e365b9-1_1 |
|
EN300-211482_4_1_1 |
|
−0.7 ± 0.5 |
|
|
||||
| RUN4394 | MAT-POS-b3e365b9-1_1 |
|
EN300-6763507_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN4998 | MAT-POS-b3e365b9-1_1 |
|
EN300-785910_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2664 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-5_1 |
|
−0.7 ± 0.6 |
|
|
||||
| RUN6589 | MAT-POS-b3e365b9-1_1 |
|
EN300-217494_4_2_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN4569 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_4_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN1071 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-6fede743-5_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN5831 | MAT-POS-b3e365b9-1_1 |
|
EN300-244713_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2669 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-10_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN4700 | MAT-POS-b3e365b9-1_1 |
|
EN300-53423_3_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2376 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-15_3 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6343 | MAT-POS-b3e365b9-1_1 |
|
EN300-107493_3_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7733 | MAT-POS-b3e365b9-1_1 |
|
EN300-43972_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6260 | MAT-POS-b3e365b9-1_1 |
|
EN300-783124_2_2_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN474 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-cdc2493e-8_3 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6742 | MAT-POS-b3e365b9-1_1 |
|
EN300-54304_4_1_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN3280 | MAT-POS-b3e365b9-1_1 |
|
EN300-6478631_3_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6321 | MAT-POS-b3e365b9-1_1 |
|
EN300-1699871_3_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6647 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008120_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6090 | MAT-POS-b3e365b9-1_1 |
|
EN300-107823_2_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN4085 | MAT-POS-b3e365b9-1_1 |
|
EN300-18610_1_1_1 |
|
−0.7 ± 0.5 |
|
|
||||
| RUN5450 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-8be7dca9-5_1_1 |
|
−0.7 ± 0.1 |
|
|
||||
| RUN4915 | MAT-POS-b3e365b9-1_1 |
|
EN300-7102031_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7552 | MAT-POS-b3e365b9-1_1 |
|
EN300-120119_2_2_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN4147 | MAT-POS-b3e365b9-1_1 |
|
EN300-6746918_3_1_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN4800 | MAT-POS-b3e365b9-1_1 |
|
EN300-97300_1_3_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN1970 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-32_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN4082 | MAT-POS-b3e365b9-1_1 |
|
EN300-14752_1_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN1742 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-3fc3434e-8_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2127 | MAT-POS-b3e365b9-1_1 |
|
VLA-UNK-56836b69-1_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN3715 | MAT-POS-b3e365b9-1_1 |
|
EN300-114805_1_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN5574 | MAT-POS-b3e365b9-1_1 |
|
EN300-210254_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN1655 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-91_2 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7232 | MAT-POS-b3e365b9-1_1 |
|
EN300-103187_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN5316 | MAT-POS-b3e365b9-1_1 |
|
EN300-360157_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN1675 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-95_2 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2054 | MAT-POS-b3e365b9-1_1 |
|
CHO-MSK-a31cca77-3_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN2079 | MAT-POS-b3e365b9-1_1 |
|
LEE-CAM-7ab9b158-4_3 |
|
−0.7 ± 0.5 |
|
|
||||
| RUN5908 | MAT-POS-b3e365b9-1_1 |
|
EN300-248888_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN4311 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444950_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6798 | MAT-POS-b3e365b9-1_1 |
|
EN300-21258_2_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN5654 | MAT-POS-b3e365b9-1_1 |
|
EN300-1268016_1_3_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN5472 | MAT-POS-b3e365b9-1_1 |
|
EN300-43206_3_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN4421 | MAT-POS-b3e365b9-1_1 |
|
EN300-05754_3_1_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN6001 | MAT-POS-b3e365b9-1_1 |
|
EN300-53918_1_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN570 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-34f3ed0c-10_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2177 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-9e38fd34-4_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN4395 | MAT-POS-b3e365b9-1_1 |
|
EN300-173562_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7112 | MAT-POS-b3e365b9-1_1 |
|
EN300-1664603_2_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN4125 | MAT-POS-b3e365b9-1_1 |
|
EN300-122656_3_2_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN3938 | MAT-POS-b3e365b9-1_1 |
|
EN300-244744_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6611 | MAT-POS-b3e365b9-1_1 |
|
EN300-196320_1_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN1337 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-15_9 |
|
−0.7 ± 0.7 |
|
|
||||
| RUN7282 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-14_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN1526 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-49_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN3248 | MAT-POS-b3e365b9-1_1 |
|
EN300-188217_3_1_1 |
|
−0.7 ± 0.5 |
|
|
||||
| RUN4893 | MAT-POS-b3e365b9-1_1 |
|
EN300-110423_3_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2396 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-11_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6061 | MAT-POS-b3e365b9-1_1 |
|
EN300-30480_1_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN5427 | MAT-POS-b3e365b9-1_1 |
|
EN300-1262640_4_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN5202 | MAT-POS-b3e365b9-1_1 |
|
EN300-7444533_1_4_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN6111 | MAT-POS-b3e365b9-1_1 |
|
EN300-743350_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN5820 | MAT-POS-b3e365b9-1_1 |
|
EN300-2908024_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN5059 | MAT-POS-b3e365b9-1_1 |
|
EN300-1627945_3_1_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN2569 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-20_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN6504 | MAT-POS-b3e365b9-1_1 |
|
EN300-19542_2_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7068 | MAT-POS-b3e365b9-1_1 |
|
EN300-296237_2_2_1 |
|
−0.7 ± 0.5 |
|
|
||||
| RUN6212 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_3_3_1 |
|
−0.7 ± 0.4 |
|
|
||||
| RUN5576 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-f51e3bbc-4_1_1 |
|
−0.7 ± 0.1 |
|
|
||||
| RUN1939 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-2_1 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN4444 | MAT-POS-b3e365b9-1_1 |
|
EN300-41473_1_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN810 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-32_27 |
|
−0.7 ± 0.2 |
|
|
||||
| RUN7260 | MAT-POS-b3e365b9-1_1 |
|
EN300-6736515_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN7052 | MAT-POS-b3e365b9-1_1 |
|
EN300-55355_1_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2510 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-14_6 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN6556 | MAT-POS-b3e365b9-1_1 |
|
EN300-220194_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN2663 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-11_7 |
|
−0.7 ± 0.5 |
|
|
||||
| RUN4843 | MAT-POS-b3e365b9-1_1 |
|
EN300-182124_2_1_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN4840 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_4_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN4009 | MAT-POS-b3e365b9-1_1 |
|
EN300-67533_1_2_1 |
|
−0.7 ± 0.3 |
|
|
||||
| RUN5323 | MAT-POS-b3e365b9-1_1 |
|
EN300-6499639_3_1_1 |
|
−0.6 ± 0.3 |
|
|
||||
| RUN5313 | MAT-POS-b3e365b9-1_1 |
|
EN300-1268016_1_6_1 |
|
−0.6 ± 0.4 |
|
|
||||
| RUN2757 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494693_1_1_1 |
|
−0.6 ± 0.2 |
|
|
||||
| RUN7638 | MAT-POS-b3e365b9-1_1 |
|
EN300-1708899_1_1_1 |
|
−0.6 ± 0.3 |
|
|
||||
| RUN3668 | MAT-POS-b3e365b9-1_1 |
|
EN300-248352_1_1_1 |
|
−0.6 ± 0.2 |
|
|
||||
| RUN498 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-bcd487e9-9_1 |
|
−0.6 ± 0.4 |
|
|
||||
| RUN3975 | MAT-POS-b3e365b9-1_1 |
|
EN300-160143_1_1_1 |
|
−0.6 ± 0.3 |
|
|
||||
| RUN6187 | MAT-POS-b3e365b9-1_1 |
|
EN300-1608992_1_2_1 |
|
−0.6 ± 0.3 |
|
|
||||
| RUN6535 | MAT-POS-b3e365b9-1_1 |
|
BEN-DND-c852c98b-4_1_1 |
|
−0.65 ± 0.04 |
|
|
||||
| RUN6302 | MAT-POS-b3e365b9-1_1 |
|
EN300-378722_3_2_1 |
|
−0.6 ± 0.3 |
|
|
||||