| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3867 | MAT-POS-b3e365b9-1_1 |
|
EN300-54541_1_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN4393 | MAT-POS-b3e365b9-1_1 |
|
EN300-331941_1_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN5390 | MAT-POS-b3e365b9-1_1 |
|
EN300-1387145_1_4_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN6341 | MAT-POS-b3e365b9-1_1 |
|
EN300-252260_1_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN5932 | MAT-POS-b3e365b9-1_1 |
|
EN300-113218_4_1_1 |
|
−1.4 ± 0.4 |
|
|
||||
| RUN4153 | MAT-POS-b3e365b9-1_1 |
|
EN300-6238494_2_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN3596 | MAT-POS-b3e365b9-1_1 |
|
EN300-139167_3_2_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN3527 | MAT-POS-b3e365b9-1_1 |
|
EN300-53423_1_2_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN5754 | MAT-POS-b3e365b9-1_1 |
|
EN300-83918_1_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN7467 | MAT-POS-b3e365b9-1_1 |
|
EN300-12587_3_1_1 |
|
−1.4 ± 0.5 |
|
|
||||
| RUN5073 | MAT-POS-b3e365b9-1_1 |
|
EN300-68889_1_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN5528 | MAT-POS-b3e365b9-1_1 |
|
EN300-306047_3_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN743 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-18_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN6015 | MAT-POS-b3e365b9-1_1 |
|
EN300-249475_1_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN3807 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-5ff57136-2_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN1537 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-33_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN4725 | MAT-POS-b3e365b9-1_1 |
|
EN300-7429970_1_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN6860 | MAT-POS-b3e365b9-1_1 |
|
EN300-68794_3_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN4974 | MAT-POS-b3e365b9-1_1 |
|
EN300-226314_1_2_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN7225 | MAT-POS-b3e365b9-1_1 |
|
EN300-37195_1_2_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN5319 | MAT-POS-b3e365b9-1_1 |
|
EN300-6744028_3_8_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN5514 | MAT-POS-b3e365b9-1_1 |
|
EN300-359750_3_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN7663 | MAT-POS-b3e365b9-1_1 |
|
EN300-109535_2_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN6721 | MAT-POS-b3e365b9-1_1 |
|
EN300-1911992_2_3_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN3364 | MAT-POS-b3e365b9-1_1 |
|
EN300-96159_3_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN2928 | MAT-POS-b3e365b9-1_1 |
|
EN300-7463171_4_1_1 |
|
−1.4 ± 0.7 |
|
|
||||
| RUN7237 | MAT-POS-b3e365b9-1_1 |
|
EN300-705381_3_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN3362 | MAT-POS-b3e365b9-1_1 |
|
EN300-95094_1_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN4792 | MAT-POS-b3e365b9-1_1 |
|
EN300-171215_1_1_1 |
|
−1.4 ± 0.4 |
|
|
||||
| RUN5089 | MAT-POS-b3e365b9-1_1 |
|
EN300-97758_2_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN4743 | MAT-POS-b3e365b9-1_1 |
|
EN300-19700_2_1_1 |
|
−1.4 ± 0.2 |
|
|
||||
| RUN1539 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-24_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN1396 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-9_2 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN1503 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-74_4 |
|
−1.4 ± 0.4 |
|
|
||||
| RUN4221 | MAT-POS-b3e365b9-1_1 |
|
EN300-2008102_1_1_1 |
|
−1.4 ± 0.3 |
|
|
||||
| RUN2475 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-ba1ac7b9-9_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5606 | MAT-POS-b3e365b9-1_1 |
|
EN300-01527_1_2_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN3721 | MAT-POS-b3e365b9-1_1 |
|
EN300-7457159_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1617 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-51_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN4279 | MAT-POS-b3e365b9-1_1 |
|
EN300-96362_1_4_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5742 | MAT-POS-b3e365b9-1_1 |
|
EN300-1608590_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN4641 | MAT-POS-b3e365b9-1_1 |
|
EN300-304771_1_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN6035 | MAT-POS-b3e365b9-1_1 |
|
EN300-6734171_1_2_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN3542 | MAT-POS-b3e365b9-1_1 |
|
EN300-50561_1_2_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN7142 | MAT-POS-b3e365b9-1_1 |
|
EN300-253443_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1720 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-103_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN2542 | MAT-POS-b3e365b9-1_1 |
|
ALF-EVA-0b412456-2_2 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN3734 | MAT-POS-b3e365b9-1_1 |
|
EN300-211779_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5372 | MAT-POS-b3e365b9-1_1 |
|
EN300-122866_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN6522 | MAT-POS-b3e365b9-1_1 |
|
EN300-300217_3_2_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN6471 | MAT-POS-b3e365b9-1_1 |
|
EN300-1299691_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5506 | MAT-POS-b3e365b9-1_1 |
|
EN300-1273019_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1520 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-15_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN3269 | MAT-POS-b3e365b9-1_1 |
|
EN300-1644723_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5274 | MAT-POS-b3e365b9-1_1 |
|
EN300-210084_3_2_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN3884 | MAT-POS-b3e365b9-1_1 |
|
EN300-817811_1_1_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN5121 | MAT-POS-b3e365b9-1_1 |
|
EN300-223741_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN4029 | MAT-POS-b3e365b9-1_1 |
|
EN300-140582_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2382 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-fcba3f31-3_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN2974 | MAT-POS-b3e365b9-1_1 |
|
EN300-204133_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN3132 | MAT-POS-b3e365b9-1_1 |
|
VLA-UCB-50c39ae8-8_1_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN5393 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-8_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1558 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-37_3 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN5903 | MAT-POS-b3e365b9-1_1 |
|
EN300-1719075_1_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN5321 | MAT-POS-b3e365b9-1_1 |
|
EN300-52383_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1453 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-69_4 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN607 | MAT-POS-b3e365b9-1_1 |
|
JAG-UCB-706446eb-5_2 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN5922 | MAT-POS-b3e365b9-1_1 |
|
EN300-148515_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN6131 | MAT-POS-b3e365b9-1_1 |
|
EN300-66494_4_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5832 | MAT-POS-b3e365b9-1_1 |
|
EN300-31845_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5382 | MAT-POS-b3e365b9-1_1 |
|
EN300-367383_2_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN4445 | MAT-POS-b3e365b9-1_1 |
|
EN300-1696962_2_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN4482 | MAT-POS-b3e365b9-1_1 |
|
EN300-12247_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN1465 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-61_2 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2018 | MAT-POS-b3e365b9-1_1 |
|
KAD-UNI-8a629cb0-35_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN7002 | MAT-POS-b3e365b9-1_1 |
|
EN300-304662_3_1_4 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN364 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-91acba05-2_2 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN2842 | MAT-POS-b3e365b9-1_1 |
|
EN300-222120_1_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN4359 | MAT-POS-b3e365b9-1_1 |
|
EN300-120436_1_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN6728 | MAT-POS-b3e365b9-1_1 |
|
EN300-6729572_2_8_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN5773 | MAT-POS-b3e365b9-1_1 |
|
EN300-246423_3_1_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN3006 | MAT-POS-b3e365b9-1_1 |
|
EN300-198515_1_2_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN7726 | MAT-POS-b3e365b9-1_1 |
|
EN300-46832_1_2_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN6592 | MAT-POS-b3e365b9-1_1 |
|
EN300-204936_4_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN4254 | MAT-POS-b3e365b9-1_1 |
|
EN300-99983_3_1_1 |
|
−1.3 ± 0.5 |
|
|
||||
| RUN3920 | MAT-POS-b3e365b9-1_1 |
|
EN300-39101_3_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN3724 | MAT-POS-b3e365b9-1_1 |
|
EN300-140582_1_2_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN4776 | MAT-POS-b3e365b9-1_1 |
|
EN300-63872_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN5593 | MAT-POS-b3e365b9-1_1 |
|
EN300-120282_2_1_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN1469 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-60_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN5764 | MAT-POS-b3e365b9-1_1 |
|
EN300-39005_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2802 | MAT-POS-b3e365b9-1_1 |
|
EN300-263085_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN2825 | MAT-POS-b3e365b9-1_1 |
|
EN300-783124_1_3_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN1574 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-49_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN3507 | MAT-POS-b3e365b9-1_1 |
|
EN300-316216_1_1_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN4326 | MAT-POS-b3e365b9-1_1 |
|
EN300-172640_1_2_1 |
|
−1.3 ± 0.2 |
|
|
||||
| RUN4113 | MAT-POS-b3e365b9-1_1 |
|
EN300-51832_3_1_1 |
|
−1.3 ± 0.3 |
|
|
||||
| RUN7124 | MAT-POS-b3e365b9-1_1 |
|
EN300-110012_3_1_1 |
|
−1.3 ± 0.4 |
|
|
||||
| RUN6503 | MAT-POS-b3e365b9-1_1 |
|
EN300-55744_3_2_1 |
|
−1.3 ± 0.5 |
|
|
||||
| RUN1238 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-076fb6ea-5_1 |
|
−1.3 ± 0.4 |
|
|
||||