| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distribution | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN3246 | MAT-POS-b3e365b9-1_1 |
|
EN300-364679_2_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN1822 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-4c7486ba-9_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN5790 | MAT-POS-b3e365b9-1_1 |
|
EN300-141809_1_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4642 | MAT-POS-b3e365b9-1_1 |
|
EN300-2977549_2_1_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN7506 | MAT-POS-b3e365b9-1_1 |
|
EN300-259063_1_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN7043 | MAT-POS-b3e365b9-1_1 |
|
EN300-247343_3_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3634 | MAT-POS-b3e365b9-1_1 |
|
EN300-120920_3_2_1 |
|
−1.1 ± 0.2 |
|
|
||||
| RUN7283 | MAT-POS-b3e365b9-1_1 |
|
EN300-43047_1_2_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4175 | MAT-POS-b3e365b9-1_1 |
|
EN300-220194_3_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3900 | MAT-POS-b3e365b9-1_1 |
|
EN300-156995_3_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4813 | MAT-POS-b3e365b9-1_1 |
|
EN300-175485_1_1_1 |
|
−1.1 ± 0.4 |
|
|
||||
| RUN4522 | MAT-POS-b3e365b9-1_1 |
|
EN300-11300_3_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN3577 | MAT-POS-b3e365b9-1_1 |
|
EN300-153257_1_1_1 |
|
−1.1 ± 0.3 |
|
|
||||
| RUN4013 | MAT-POS-b3e365b9-1_1 |
|
EN300-98648_3_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5961 | MAT-POS-b3e365b9-1_1 |
|
EN300-253443_3_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3297 | MAT-POS-b3e365b9-1_1 |
|
EN300-10402_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN6390 | MAT-POS-b3e365b9-1_1 |
|
EN300-198240_3_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3906 | MAT-POS-b3e365b9-1_1 |
|
EN300-189672_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4597 | MAT-POS-b3e365b9-1_1 |
|
EN300-144970_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4497 | MAT-POS-b3e365b9-1_1 |
|
EN300-80083_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5330 | MAT-POS-b3e365b9-1_1 |
|
EN300-201553_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN745 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-8_1 |
|
−1.04 ± 0.07 |
|
|
||||
| RUN4236 | MAT-POS-b3e365b9-1_1 |
|
EN300-657211_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6283 | MAT-POS-b3e365b9-1_1 |
|
EN300-1425677_2_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3191 | MAT-POS-b3e365b9-1_1 |
|
EN300-210552_3_2_1 |
|
−1.0 ± 0.5 |
|
|
||||
| RUN4023 | MAT-POS-b3e365b9-1_1 |
|
EN300-1239522_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7240 | MAT-POS-b3e365b9-1_1 |
|
EN300-7426520_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5148 | MAT-POS-b3e365b9-1_1 |
|
EN300-1654606_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN94 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-c66144cb-3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2847 | MAT-POS-b3e365b9-1_1 |
|
EN300-341337_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5479 | MAT-POS-b3e365b9-1_1 |
|
EN300-185398_2_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3076 | MAT-POS-b3e365b9-1_1 |
|
EN300-17381_4_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4334 | MAT-POS-b3e365b9-1_1 |
|
EN300-142412_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4579 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-0d514e7d-28_1_1 |
|
−1.03 ± 0.10 |
|
|
||||
| RUN4845 | MAT-POS-b3e365b9-1_1 |
|
EN300-51028_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2110 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-13_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5132 | MAT-POS-b3e365b9-1_1 |
|
EN300-307008_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3649 | MAT-POS-b3e365b9-1_1 |
|
EN300-42269_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3643 | MAT-POS-b3e365b9-1_1 |
|
EN300-10747_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5861 | MAT-POS-b3e365b9-1_1 |
|
EN300-6736413_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN3389 | MAT-POS-b3e365b9-1_1 |
|
EN300-101197_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6352 | MAT-POS-b3e365b9-1_1 |
|
EN300-331593_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5525 | MAT-POS-b3e365b9-1_1 |
|
EN300-31183_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6300 | MAT-POS-b3e365b9-1_1 |
|
EN300-239219_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN318 | MAT-POS-b3e365b9-1_1 |
|
DAR-DIA-6a508060-9_2 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN2622 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-8_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4545 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355519_1_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6241 | MAT-POS-b3e365b9-1_1 |
|
EN300-6744028_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7431 | MAT-POS-b3e365b9-1_1 |
|
EN300-188324_2_3_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5126 | MAT-POS-b3e365b9-1_1 |
|
EN300-132963_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1945 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-fce787c2-7_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4539 | MAT-POS-b3e365b9-1_1 |
|
EN300-261986_3_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN3068 | MAT-POS-b3e365b9-1_1 |
|
EN300-1448674_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2848 | MAT-POS-b3e365b9-1_1 |
|
EN300-36158_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2614 | MAT-POS-b3e365b9-1_1 |
|
ALP-UNI-dbbfd3db-9_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6012 | MAT-POS-b3e365b9-1_1 |
|
EN300-30768_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7079 | MAT-POS-b3e365b9-1_1 |
|
EN300-22880_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1549 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-90036822-8_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7659 | MAT-POS-b3e365b9-1_1 |
|
EN300-68740_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4762 | MAT-POS-b3e365b9-1_1 |
|
EN300-313366_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6157 | MAT-POS-b3e365b9-1_1 |
|
EN300-158272_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4190 | MAT-POS-b3e365b9-1_1 |
|
EN300-1722072_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7581 | MAT-POS-b3e365b9-1_1 |
|
EN300-04073_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4601 | MAT-POS-b3e365b9-1_1 |
|
EN300-1588617_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN6559 | MAT-POS-b3e365b9-1_1 |
|
EN300-6472558_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5583 | MAT-POS-b3e365b9-1_1 |
|
EN300-7439284_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5891 | MAT-POS-b3e365b9-1_1 |
|
EN300-1068239_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN5870 | MAT-POS-b3e365b9-1_1 |
|
EN300-6779469_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5976 | MAT-POS-b3e365b9-1_1 |
|
EN300-1724771_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4828 | MAT-POS-b3e365b9-1_1 |
|
EN300-304771_3_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN3815 | MAT-POS-b3e365b9-1_1 |
|
EN300-30397_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4626 | MAT-POS-b3e365b9-1_1 |
|
EN300-325738_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7419 | MAT-POS-b3e365b9-1_1 |
|
EN300-99064_1_2_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN2158 | MAT-POS-b3e365b9-1_1 |
|
MAT-POS-e9e99895-12_1 |
|
−1.0 ± 0.5 |
|
|
||||
| RUN540 | MAT-POS-b3e365b9-1_1 |
|
MIC-UNK-bcd487e9-3_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN5612 | MAT-POS-b3e365b9-1_1 |
|
EN300-62574_4_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4624 | MAT-POS-b3e365b9-1_1 |
|
EN300-7003350_4_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN6893 | MAT-POS-b3e365b9-1_1 |
|
EN300-40947_3_2_1 |
|
−1.0 ± 0.7 |
|
|
||||
| RUN4407 | MAT-POS-b3e365b9-1_1 |
|
EN300-36096_3_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN4150 | MAT-POS-b3e365b9-1_1 |
|
EN300-6504697_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN4439 | MAT-POS-b3e365b9-1_1 |
|
EN300-181492_3_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3547 | MAT-POS-b3e365b9-1_1 |
|
EN300-52382_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN7155 | MAT-POS-b3e365b9-1_1 |
|
EN300-246486_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN7565 | MAT-POS-b3e365b9-1_1 |
|
EN300-181558_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN2921 | MAT-POS-b3e365b9-1_1 |
|
EN300-7432415_1_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4751 | MAT-POS-b3e365b9-1_1 |
|
EN300-52009_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1419 | MAT-POS-b3e365b9-1_1 |
|
ED_-GRI-5b13fbe2-40_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN5840 | MAT-POS-b3e365b9-1_1 |
|
EN300-173562_2_2_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN4720 | MAT-POS-b3e365b9-1_1 |
|
EN300-7355519_1_4_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN1513 | MAT-POS-b3e365b9-1_1 |
|
EDG-MED-4c68219f-1_2 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN5476 | MAT-POS-b3e365b9-1_1 |
|
EN300-1718675_3_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5381 | MAT-POS-b3e365b9-1_1 |
|
EN300-6238494_3_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2269 | MAT-POS-b3e365b9-1_1 |
|
ALP-POS-5bb456a5-3_2 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN3212 | MAT-POS-b3e365b9-1_1 |
|
EN300-83864_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN5822 | MAT-POS-b3e365b9-1_1 |
|
EN300-1086925_1_1_1 |
|
−1.0 ± 0.4 |
|
|
||||
| RUN6619 | MAT-POS-b3e365b9-1_1 |
|
EN300-123398_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||
| RUN2668 | MAT-POS-b3e365b9-1_1 |
|
EDJ-MED-ee07cf00-11_1 |
|
−1.0 ± 0.7 |
|
|
||||
| RUN3631 | MAT-POS-b3e365b9-1_1 |
|
EN300-259062_1_2_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5696 | MAT-POS-b3e365b9-1_1 |
|
EN300-96037_1_1_1 |
|
−1.0 ± 0.3 |
|
|
||||
| RUN5172 | MAT-POS-b3e365b9-1_1 |
|
EN300-1253122_1_1_1 |
|
−1.0 ± 0.2 |
|
|
||||