| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN6752 | MAT-POS-b3e365b9-1_1 |
|
EN300-6479181_3_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5006 | MAT-POS-b3e365b9-1_1 |
|
EN300-92662_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5945 | MAT-POS-b3e365b9-1_1 |
|
EN300-153257_1_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5425 | MAT-POS-b3e365b9-1_1 |
|
EN300-97904_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2820 | MAT-POS-b3e365b9-1_1 |
|
EN300-261596_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2068 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-de59a476-4_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4656 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253178_2_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5228 | MAT-POS-b3e365b9-1_1 |
|
EN300-72109_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1678 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-39_2 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN7348 | MAT-POS-b3e365b9-1_1 |
|
EN300-268198_2_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3080 | MAT-POS-b3e365b9-1_1 |
|
EN300-220676_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5686 | MAT-POS-b3e365b9-1_1 |
|
EN300-1718675_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5744 | MAT-POS-b3e365b9-1_1 |
|
EN300-67573_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6221 | MAT-POS-b3e365b9-1_1 |
|
EN300-53677_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3796 | MAT-POS-b3e365b9-1_1 |
|
EN300-35781_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3971 | MAT-POS-b3e365b9-1_1 |
|
EN300-1721328_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2153 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e69ad64a-2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5142 | MAT-POS-b3e365b9-1_1 |
|
EN300-78121_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3969 | MAT-POS-b3e365b9-1_1 |
|
EN300-185751_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4025 | MAT-POS-b3e365b9-1_1 |
|
EN300-22879_3_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN2041 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-de59a476-5_2 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4632 | MAT-POS-b3e365b9-1_1 |
|
EN300-370967_2_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN249 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-477dc5b7-3_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN1959 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-8_2 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5539 | MAT-POS-b3e365b9-1_1 |
|
EN300-6745453_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5844 | MAT-POS-b3e365b9-1_1 |
|
EN300-59285_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN2428 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-30_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5193 | MAT-POS-b3e365b9-1_1 |
|
EN300-1704723_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5659 | MAT-POS-b3e365b9-1_1 |
|
EN300-2855057_3_2_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN6402 | MAT-POS-b3e365b9-1_1 |
|
EN300-1299691_1_2_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN6263 | MAT-POS-b3e365b9-1_1 |
|
EN300-66432_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN7590 | MAT-POS-b3e365b9-1_1 |
|
EN300-21258_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN6059 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_2_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5434 | MAT-POS-b3e365b9-1_1 |
|
EN300-206282_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN1541 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-15_2 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN4269 | MAT-POS-b3e365b9-1_1 |
|
EN300-61860_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5371 | MAT-POS-b3e365b9-1_1 |
|
EN300-247343_2_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN7141 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_4_2_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN4399 | MAT-POS-b3e365b9-1_1 |
|
EN300-6473273_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4722 | MAT-POS-b3e365b9-1_1 |
|
EN300-1703852_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4179 | MAT-POS-b3e365b9-1_1 |
|
EN300-203293_2_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN248 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-e4b030d8-11_1 |
|
−0.94 ± 0.05 |
|
|
||||
| RUN6672 | MAT-POS-b3e365b9-1_1 |
|
EN300-182725_1_4_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4265 | MAT-POS-b3e365b9-1_1 |
|
EN300-1709410_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5793 | MAT-POS-b3e365b9-1_1 |
|
EN300-134855_1_2_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1451 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-72_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN6461 | MAT-POS-b3e365b9-1_1 |
|
EN300-6492197_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN7820 | MAT-POS-b3e365b9-1_1 |
|
EN300-169955_3_4_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN5655 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-8a69d52e-4_2_1 |
|
−0.94 ± 0.05 |
|
|
||||
| RUN5687 | MAT-POS-b3e365b9-1_1 |
|
EN300-18569_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5103 | MAT-POS-b3e365b9-1_1 |
|
EN300-6238494_1_2_2 |
|
−0.9 ± 0.5 |
|
|
||||
| RUN6032 | MAT-POS-b3e365b9-1_1 |
|
EN300-52768_3_2_1 |
|
−0.9 ± 0.5 |
|
|
||||
| RUN4047 | MAT-POS-b3e365b9-1_1 |
|
EN300-249804_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4652 | MAT-POS-b3e365b9-1_1 |
|
EN300-62448_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5409 | MAT-POS-b3e365b9-1_1 |
|
EN300-1703718_1_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN3786 | MAT-POS-b3e365b9-1_1 |
|
EN300-1387104_3_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN6291 | MAT-POS-b3e365b9-1_1 |
|
EN300-6792206_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4758 | MAT-POS-b3e365b9-1_1 |
|
EN300-107435_3_2_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN818 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-c749d764-2_1 |
|
−0.9 ± 0.5 |
|
|
||||
| RUN3215 | MAT-POS-b3e365b9-1_1 |
|
EN300-123416_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN6537 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008102_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN7807 | MAT-POS-b3e365b9-1_1 |
|
EN300-55109_2_2_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1801 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-110_2 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN7453 | MAT-POS-b3e365b9-1_1 |
|
EN300-175251_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1477 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-69_2 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN7099 | MAT-POS-b3e365b9-1_1 |
|
EN300-307336_1_3_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4495 | MAT-POS-b3e365b9-1_1 |
|
EN300-1071940_1_2_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5131 | MAT-POS-b3e365b9-1_1 |
|
EN300-1715993_2_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN2645 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-4_3 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN5682 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN6483 | MAT-POS-b3e365b9-1_1 |
|
EN300-245061_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN4508 | MAT-POS-b3e365b9-1_1 |
|
EN300-315453_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN4771 | MAT-POS-b3e365b9-1_1 |
|
EN300-22884_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1317 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-11_8 |
|
−0.9 ± 0.5 |
|
|
||||
| RUN6464 | MAT-POS-b3e365b9-1_1 |
|
EN300-94900_1_1_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN2944 | MAT-POS-b3e365b9-1_1 |
|
EN300-186943_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1569 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-4c68219f-9_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN3410 | MAT-POS-b3e365b9-1_1 |
|
EN300-7456948_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1647 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-65_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5647 | MAT-POS-b3e365b9-1_1 |
|
EN300-6953121_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN3020 | MAT-POS-b3e365b9-1_1 |
|
EN300-28871_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5558 | MAT-POS-b3e365b9-1_1 |
|
EN300-7442332_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4717 | MAT-POS-b3e365b9-1_1 |
|
EN300-395954_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5027 | MAT-POS-b3e365b9-1_1 |
|
EN300-22879_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN6117 | MAT-POS-b3e365b9-1_1 |
|
EN300-107493_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN1473 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-27_1 |
|
−0.9 ± 0.4 |
|
|
||||
| RUN1487 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-55_4 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4343 | MAT-POS-b3e365b9-1_1 |
|
EN300-55072_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN2756 | MAT-POS-b3e365b9-1_1 |
|
EN300-39439_2_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN755 | MAT-POS-b3e365b9-1_1 |
|
MAK-UNK-83e0a0b4-3_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN7100 | MAT-POS-b3e365b9-1_1 |
|
EN300-6738887_2_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN3574 | MAT-POS-b3e365b9-1_1 |
|
EN300-113234_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN7760 | MAT-POS-b3e365b9-1_1 |
|
EN300-182084_1_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4046 | MAT-POS-b3e365b9-1_1 |
|
EN300-23942_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5547 | MAT-POS-b3e365b9-1_1 |
|
EN300-69313_1_1_1 |
|
−0.9 ± 0.2 |
|
|
||||
| RUN6970 | MAT-POS-b3e365b9-1_1 |
|
EN300-159953_2_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN2891 | MAT-POS-b3e365b9-1_1 |
|
EN300-198515_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN7025 | MAT-POS-b3e365b9-1_1 |
|
EN300-1448603_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN4341 | MAT-POS-b3e365b9-1_1 |
|
EN300-7493922_3_1_1 |
|
−0.9 ± 0.3 |
|
|
||||
| RUN5499 | MAT-POS-b3e365b9-1_1 |
|
EN300-122340_2_1_1 |
|
−0.9 ± 0.3 |
|
|
||||