| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN5138 | MAT-POS-b3e365b9-1_1 |
|
EN300-69556_3_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN4127 | MAT-POS-b3e365b9-1_1 |
|
EN300-188341_3_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7667 | MAT-POS-b3e365b9-1_1 |
|
EN300-10170_2_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN6637 | MAT-POS-b3e365b9-1_1 |
|
EN300-124904_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4885 | MAT-POS-b3e365b9-1_1 |
|
EN300-100583_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN4164 | MAT-POS-b3e365b9-1_1 |
|
EN300-76841_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5856 | MAT-POS-b3e365b9-1_1 |
|
EN300-05277_3_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7787 | MAT-POS-b3e365b9-1_1 |
|
EN300-190283_1_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN7312 | MAT-POS-b3e365b9-1_1 |
|
EN300-173562_2_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6596 | MAT-POS-b3e365b9-1_1 |
|
EN300-224741_3_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7769 | MAT-POS-b3e365b9-1_1 |
|
EN300-155362_3_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4108 | MAT-POS-b3e365b9-1_1 |
|
EN300-99161_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN3644 | MAT-POS-b3e365b9-1_1 |
|
EN300-99983_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4194 | MAT-POS-b3e365b9-1_1 |
|
EN300-6731226_1_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN6956 | MAT-POS-b3e365b9-1_1 |
|
EN300-35592_3_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5789 | MAT-POS-b3e365b9-1_1 |
|
EN300-23221_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1332 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-13_6 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN2017 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-17_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7456 | MAT-POS-b3e365b9-1_1 |
|
EN300-171752_2_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1123 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-4aa06b95-3_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4289 | MAT-POS-b3e365b9-1_1 |
|
EN300-1968342_2_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4358 | MAT-POS-b3e365b9-1_1 |
|
EN300-88819_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5445 | MAT-POS-b3e365b9-1_1 |
|
EN300-171215_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1996 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-12_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN5519 | MAT-POS-b3e365b9-1_1 |
|
EN300-216063_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN6751 | MAT-POS-b3e365b9-1_1 |
|
EN300-100768_1_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6441 | MAT-POS-b3e365b9-1_1 |
|
EN300-25572_1_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN4039 | MAT-POS-b3e365b9-1_1 |
|
EN300-203306_1_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN4373 | MAT-POS-b3e365b9-1_1 |
|
EN300-172640_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN3814 | MAT-POS-b3e365b9-1_1 |
|
EN300-222620_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1713 | MAT-POS-b3e365b9-1_1 |
|
JOH-UNI-ee5ed7c8-8_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN809 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-33_3 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN6229 | MAT-POS-b3e365b9-1_1 |
|
EN300-37077_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN1546 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-74_3 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2479 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-4_3 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN3835 | MAT-POS-b3e365b9-1_1 |
|
EN300-5253939_3_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5645 | MAT-POS-b3e365b9-1_1 |
|
EN300-270710_4_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN6108 | MAT-POS-b3e365b9-1_1 |
|
EN300-95639_1_3_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN6674 | MAT-POS-b3e365b9-1_1 |
|
EN300-120920_4_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6021 | MAT-POS-b3e365b9-1_1 |
|
EN300-7534935_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN3800 | MAT-POS-b3e365b9-1_1 |
|
EN300-77359_3_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5137 | MAT-POS-b3e365b9-1_1 |
|
EN300-117931_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN2350 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-fcba3f31-10_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN6886 | MAT-POS-b3e365b9-1_1 |
|
EN300-124457_2_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4607 | MAT-POS-b3e365b9-1_1 |
|
EN300-1272865_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7411 | MAT-POS-b3e365b9-1_1 |
|
EN300-101197_4_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN5977 | MAT-POS-b3e365b9-1_1 |
|
EN300-233079_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5356 | MAT-POS-b3e365b9-1_1 |
|
EN300-42243_3_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN5454 | MAT-POS-b3e365b9-1_1 |
|
EN300-233678_1_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4109 | MAT-POS-b3e365b9-1_1 |
|
EN300-233951_1_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN3802 | MAT-POS-b3e365b9-1_1 |
|
EN300-7385329_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN1340 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-13_3 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN6582 | MAT-POS-b3e365b9-1_1 |
|
EN300-1699871_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1529 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-75_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7293 | MAT-POS-b3e365b9-1_1 |
|
EN300-817811_4_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN3404 | MAT-POS-b3e365b9-1_1 |
|
EN300-114082_2_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN4480 | MAT-POS-b3e365b9-1_1 |
|
EN300-25865_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6266 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457159_2_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6547 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-477dc5b7-3_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5568 | MAT-POS-b3e365b9-1_1 |
|
EN300-48902_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1674 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-94_6 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7450 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253122_4_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1061 | MAT-POS-b3e365b9-1_1 |
|
BEN-BAS-5c03e89e-2_2 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN6332 | MAT-POS-b3e365b9-1_1 |
|
EN300-07879_4_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5225 | MAT-POS-b3e365b9-1_1 |
|
EN300-741926_1_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1894 | MAT-POS-b3e365b9-1_1 |
|
RAL-THA-05e671eb-16_1 |
|
−0.41 ± 0.08 |
|
|
||||
| RUN4736 | MAT-POS-b3e365b9-1_1 |
|
EN300-189563_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6368 | MAT-POS-b3e365b9-1_1 |
|
EN300-332606_4_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4379 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_4_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6190 | MAT-POS-b3e365b9-1_1 |
|
EN300-1214616_2_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5199 | MAT-POS-b3e365b9-1_1 |
|
EN300-7413100_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN3617 | MAT-POS-b3e365b9-1_1 |
|
EN300-1273362_2_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN3629 | MAT-POS-b3e365b9-1_1 |
|
EN300-90225_4_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN1521 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-17_2 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7486 | MAT-POS-b3e365b9-1_1 |
|
EN300-7466671_1_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN5653 | MAT-POS-b3e365b9-1_1 |
|
EN300-1703340_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5851 | MAT-POS-b3e365b9-1_1 |
|
EN300-249421_1_2_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN2275 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-2da19ca7-7_6 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6964 | MAT-POS-b3e365b9-1_1 |
|
EN300-60514_1_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN764 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-32_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN2917 | MAT-POS-b3e365b9-1_1 |
|
EN300-1724086_1_3_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6632 | MAT-POS-b3e365b9-1_1 |
|
EN300-31037_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5949 | MAT-POS-b3e365b9-1_1 |
|
EN300-181492_4_1_1 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN4396 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_2_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6984 | MAT-POS-b3e365b9-1_1 |
|
EN300-05754_2_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5695 | MAT-POS-b3e365b9-1_1 |
|
EN300-1425677_1_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4878 | MAT-POS-b3e365b9-1_1 |
|
EN300-63872_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2572 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-0b412456-6_2 |
|
−0.4 ± 0.4 |
|
|
||||
| RUN7777 | MAT-POS-b3e365b9-1_1 |
|
EN300-36622_2_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5086 | MAT-POS-b3e365b9-1_1 |
|
EN300-126104_3_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6576 | MAT-POS-b3e365b9-1_1 |
|
EN300-301721_1_2_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN5399 | MAT-POS-b3e365b9-1_1 |
|
EN300-190283_3_2_1 |
|
−0.4 ± 0.5 |
|
|
||||
| RUN3036 | MAT-POS-b3e365b9-1_1 |
|
EN300-27341_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2627 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-15_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN6565 | MAT-POS-b3e365b9-1_1 |
|
EN300-10397_1_1_1 |
|
−0.4 ± 0.2 |
|
|
||||
| RUN5710 | MAT-POS-b3e365b9-1_1 |
|
EN300-92664_3_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN7588 | MAT-POS-b3e365b9-1_1 |
|
EN300-1238839_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4059 | MAT-POS-b3e365b9-1_1 |
|
EN300-6474220_1_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN4595 | MAT-POS-b3e365b9-1_1 |
|
EN300-36522_3_1_1 |
|
−0.4 ± 0.3 |
|
|
||||
| RUN2334 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-3496895b-3_1 |
|
−0.4 ± 0.3 |
|
|
||||