| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN2010 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-13_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN3962 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457159_3_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN2817 | MAT-POS-b3e365b9-1_1 |
|
EN300-297872_1_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN2702 | MAT-POS-b3e365b9-1_1 |
|
EN300-248982_1_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN4997 | MAT-POS-b3e365b9-1_1 |
|
EN300-6762327_1_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN2965 | MAT-POS-b3e365b9-1_1 |
|
EN300-1722017_3_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN2838 | MAT-POS-b3e365b9-1_1 |
|
EN300-315836_1_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN4443 | MAT-POS-b3e365b9-1_1 |
|
EN300-124918_3_1_2 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN3332 | MAT-POS-b3e365b9-1_1 |
|
EN300-195756_3_1_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN1401 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-5_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN4118 | MAT-POS-b3e365b9-1_1 |
|
EN300-7426383_1_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN3247 | MAT-POS-b3e365b9-1_1 |
|
EN300-210084_1_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN1531 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-19_1 |
|
−2.1 ± 0.3 |
|
|
||||
| RUN320 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-8_2 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN3638 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_3_1_1 |
|
−2.1 ± 0.2 |
|
|
||||
| RUN7175 | MAT-POS-b3e365b9-1_1 |
|
EN300-6734171_3_1_1 |
|
−2.1 ± 0.4 |
|
|
||||
| RUN1559 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-35_2 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4425 | MAT-POS-b3e365b9-1_1 |
|
EN300-159633_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3338 | MAT-POS-b3e365b9-1_1 |
|
EN300-17161_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN596 | MAT-POS-b3e365b9-1_1 |
|
ADA-UCB-dc2b944c-18_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4537 | MAT-POS-b3e365b9-1_1 |
|
EN300-6746918_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4715 | MAT-POS-b3e365b9-1_1 |
|
EN300-261986_3_2_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN3665 | MAT-POS-b3e365b9-1_1 |
|
EN300-755161_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3040 | MAT-POS-b3e365b9-1_1 |
|
EN300-657320_3_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3333 | MAT-POS-b3e365b9-1_1 |
|
EN300-125140_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3491 | MAT-POS-b3e365b9-1_1 |
|
EN300-40947_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3198 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494474_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN4001 | MAT-POS-b3e365b9-1_1 |
|
EN300-6495717_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4980 | MAT-POS-b3e365b9-1_1 |
|
EN300-82179_4_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3623 | MAT-POS-b3e365b9-1_1 |
|
EN300-10895_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3555 | MAT-POS-b3e365b9-1_1 |
|
EN300-157776_1_3_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN4365 | MAT-POS-b3e365b9-1_1 |
|
EN300-316193_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3637 | MAT-POS-b3e365b9-1_1 |
|
EN300-188341_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN2830 | MAT-POS-b3e365b9-1_1 |
|
EN300-42270_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN5297 | MAT-POS-b3e365b9-1_1 |
|
EN300-69588_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4458 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-15_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3041 | MAT-POS-b3e365b9-1_1 |
|
EN300-11714_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3738 | MAT-POS-b3e365b9-1_1 |
|
EN300-365017_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3794 | MAT-POS-b3e365b9-1_1 |
|
EN300-125409_1_2_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3695 | MAT-POS-b3e365b9-1_1 |
|
EN300-7435545_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3992 | MAT-POS-b3e365b9-1_1 |
|
EN300-1589101_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN7758 | MAT-POS-b3e365b9-1_1 |
|
EN300-04492_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4689 | MAT-POS-b3e365b9-1_1 |
|
EN300-313410_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3290 | MAT-POS-b3e365b9-1_1 |
|
EN300-216978_4_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN6928 | MAT-POS-b3e365b9-1_1 |
|
EN300-10729_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4479 | MAT-POS-b3e365b9-1_1 |
|
EN300-210254_1_1_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN3662 | MAT-POS-b3e365b9-1_1 |
|
EN300-103031_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3175 | MAT-POS-b3e365b9-1_1 |
|
EN300-6494158_1_4_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN5420 | MAT-POS-b3e365b9-1_1 |
|
EN300-120414_1_4_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN3797 | MAT-POS-b3e365b9-1_1 |
|
EN300-1600517_2_2_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3747 | MAT-POS-b3e365b9-1_1 |
|
EN300-1073533_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1380 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-9e4459de-15_8 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN2418 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-23_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN2432 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-d203f206-33_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3433 | MAT-POS-b3e365b9-1_1 |
|
EN300-702615_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN7115 | MAT-POS-b3e365b9-1_1 |
|
EN300-302058_1_2_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN4424 | MAT-POS-b3e365b9-1_1 |
|
EN300-51257_3_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3270 | MAT-POS-b3e365b9-1_1 |
|
EN300-861925_3_2_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN1579 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-45_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN2113 | MAT-POS-b3e365b9-1_1 |
|
VLA-UNK-f702bf1c-2_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4198 | MAT-POS-b3e365b9-1_1 |
|
EN300-1696962_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN5030 | MAT-POS-b3e365b9-1_1 |
|
EN300-224741_1_2_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3824 | MAT-POS-b3e365b9-1_1 |
|
EN300-51244_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3272 | MAT-POS-b3e365b9-1_1 |
|
EN300-7352438_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4229 | MAT-POS-b3e365b9-1_1 |
|
EN300-14405_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3024 | MAT-POS-b3e365b9-1_1 |
|
EN300-7473378_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN1639 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-40_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4811 | MAT-POS-b3e365b9-1_1 |
|
EN300-304662_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4012 | MAT-POS-b3e365b9-1_1 |
|
EN300-98648_2_2_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3221 | MAT-POS-b3e365b9-1_1 |
|
EN300-97300_3_4_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN4261 | MAT-POS-b3e365b9-1_1 |
|
EN300-66770_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1719 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-94_3 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN5431 | MAT-POS-b3e365b9-1_1 |
|
EN300-82179_3_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN7710 | MAT-POS-b3e365b9-1_1 |
|
EN300-37195_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN5247 | MAT-POS-b3e365b9-1_1 |
|
EN300-36158_3_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3503 | MAT-POS-b3e365b9-1_1 |
|
EN300-203402_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3119 | MAT-POS-b3e365b9-1_1 |
|
EN300-62574_2_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4121 | MAT-POS-b3e365b9-1_1 |
|
EN300-863933_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3155 | MAT-POS-b3e365b9-1_1 |
|
EN300-6729747_1_1_1 |
|
−2.0 ± 0.5 |
|
|
||||
| RUN5208 | MAT-POS-b3e365b9-1_1 |
|
EN300-783124_3_3_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3109 | MAT-POS-b3e365b9-1_1 |
|
EN300-1718836_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN6883 | MAT-POS-b3e365b9-1_1 |
|
EN300-217494_1_3_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4833 | MAT-POS-b3e365b9-1_1 |
|
EN300-651307_1_2_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3849 | MAT-POS-b3e365b9-1_1 |
|
EN300-633533_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN1709 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-101_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN1045 | MAT-POS-b3e365b9-1_1 |
|
JOH-SUS-a69c159d-7_1 |
|
−1.99 ± 0.06 |
|
|
||||
| RUN3220 | MAT-POS-b3e365b9-1_1 |
|
EN300-127197_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3476 | MAT-POS-b3e365b9-1_1 |
|
EN300-124384_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3558 | MAT-POS-b3e365b9-1_1 |
|
EN300-152418_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4747 | MAT-POS-b3e365b9-1_1 |
|
EN300-150749_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3869 | MAT-POS-b3e365b9-1_1 |
|
EN300-219330_3_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN3517 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-10_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4332 | MAT-POS-b3e365b9-1_1 |
|
EN300-207873_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN7349 | MAT-POS-b3e365b9-1_1 |
|
EN300-31102_3_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN4073 | MAT-POS-b3e365b9-1_1 |
|
EN300-135660_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN4739 | MAT-POS-b3e365b9-1_1 |
|
EN300-123916_1_1_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN1722 | MAT-POS-b3e365b9-1_1 |
|
CHO-MSK-5891c1ff-7_1 |
|
−2.0 ± 0.2 |
|
|
||||
| RUN3578 | MAT-POS-b3e365b9-1_1 |
|
EN300-40225_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||
| RUN7251 | MAT-POS-b3e365b9-1_1 |
|
EN300-6731226_3_1_1 |
|
−2.0 ± 0.4 |
|
|
||||
| RUN7178 | MAT-POS-b3e365b9-1_1 |
|
EN300-42591_1_1_1 |
|
−2.0 ± 0.3 |
|
|
||||